++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 16:34:30 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2ajr-2.5-parrot-hancs/2ajr-2.5-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2ajr-2.5-parrot-hancs/2ajr-2.5-parrot-hancs.ins Phases from ./2ajr-2.5-parrot-hancs/2ajr-2.5-parrot-hancs.phi Native data from ./2ajr-2.5-parrot-hancs/2ajr-2.5-parrot-hancs.hkl Listing output to ./2ajr-2.5-parrot-hancs/2ajr-2.5-parrot-hancs.lst Phases output to ./2ajr-2.5-parrot-hancs/2ajr-2.5-parrot-hancs.phs Poly-Ala trace output to ./2ajr-2.5-parrot-hancs/2ajr-2.5-parrot-hancs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 41 21 2 Allowed origin shift code: 9 31336 Reflections read from file ./2ajr-2.5-parrot-hancs/2ajr-2.5-parrot-hancs.phi 31336 Reflections read from file ./2ajr-2.5-parrot-hancs/2ajr-2.5-parrot-hancs.hkl 31336 Unique data, highest resolution = 2.457 Angstroms Anisotropic scaling: intensities multiplied by 0.000343h^2 +0.000343k^2 -0.000389l^2 +0.000000kl +0.000000hl +0.000000hk 47 Reflections with d > 2.657 and 0 in range 2.657 > d > 2.457 added Density sharpening factor set to 0.06 Fourier grid = 256 x 256 x 20 0.000 <= z <= 0.125 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.703 = 0.300, Contrast = 0.477, Connect. = 0.750 for dens.mod. cycle 1 = 0.300, Contrast = 0.514, Connect. = 0.737 for dens.mod. cycle 2 = 0.300, Contrast = 0.597, Connect. = 0.761 for dens.mod. cycle 3 = 0.300, Contrast = 0.620, Connect. = 0.769 for dens.mod. cycle 4 = 0.300, Contrast = 0.633, Connect. = 0.773 for dens.mod. cycle 5 = 0.300, Contrast = 0.642, Connect. = 0.777 for dens.mod. cycle 6 = 0.300, Contrast = 0.647, Connect. = 0.779 for dens.mod. cycle 7 = 0.300, Contrast = 0.652, Connect. = 0.781 for dens.mod. cycle 8 = 0.300, Contrast = 0.655, Connect. = 0.782 for dens.mod. cycle 9 = 0.300, Contrast = 0.657, Connect. = 0.783 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2515 peaks > 0.5 sigma used to seed fragment search Space for about 918 unique residues taking solvent into account 606 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 10.509 1.678 0.812 0.796 0.833 0.583 CB 0.923 B: 11 13.378 1.616 0.645 0.802 1.000 0.800 CB 1.222 C: 17 6.279 1.660 0.425 0.272 0.750 0.438 CB 1.146 D: 13 7.774 1.800 0.472 0.452 0.833 0.583 CB 1.068 17 residues pruned to eliminate duplicates E: 17 11.616 1.736 0.773 0.526 0.938 0.625 CB 0.981 13 residues pruned to eliminate duplicates F: 9 10.835 1.824 0.516 0.838 0.875 0.750 CB 1.183 8 residues pruned to eliminate duplicates G: 7 5.975 1.711 0.095 0.856 1.000 1.000 CB 0.961 H: 11 8.153 1.555 0.867 0.451 0.900 0.600 CB 1.037 I: 10 10.199 1.589 0.298 0.847 1.000 0.556 CA 1.224 J: 15 12.669 1.685 0.491 0.871 0.857 0.857 CB 1.147 14 residues pruned to eliminate duplicates K: 15 15.419 1.701 0.833 0.896 0.857 0.643 CB 1.105 15 residues pruned to eliminate duplicates L: 10 8.791 1.569 0.645 0.789 0.778 0.778 O 1.132 M: 14 12.166 1.686 0.816 0.877 0.846 0.692 CB 0.946 N: 9 6.009 1.534 0.796 0.416 0.750 0.500 N 1.123 O: 8 7.933 1.668 0.425 0.895 1.000 0.857 CB 0.904 7 residues pruned to eliminate duplicates P: 7 5.582 1.756 0.476 0.403 0.667 0.333 CB 1.461 7 residues pruned to eliminate duplicates Q: 7 4.407 1.589 0.312 0.597 0.667 0.667 CB 1.180 R: 6 6.584 1.734 0.805 0.872 1.000 0.600 CB 0.686 S: 7 5.576 1.671 0.570 0.821 0.833 0.667 CB 0.789 8 residues pruned to eliminate duplicates T: 8 8.791 1.595 0.703 0.765 0.857 0.429 CB 1.128 9 residues pruned to eliminate duplicates U: 20 7.479 1.651 0.282 0.342 0.842 0.526 CB 1.143 20 residues pruned to eliminate duplicates V: 15 7.945 1.674 0.496 0.399 0.857 0.429 CB 1.100 W: 9 7.576 1.495 0.640 0.818 1.000 0.750 CB 0.829 X: 13 15.275 1.616 0.661 0.824 1.000 0.750 CB 1.240 11 residues pruned to eliminate duplicates Y: 13 12.506 1.554 0.647 0.832 0.917 0.667 CB 1.155 Z: 15 16.265 1.672 0.540 0.891 1.000 1.000 CB 1.214 Z: 9 5.610 1.616 0.514 0.834 0.875 0.750 CB 0.695 9 residues pruned to eliminate duplicates Z: 7 3.289 1.628 0.357 0.246 0.667 0.333 O 1.221 Z: 7 4.294 1.664 0.427 0.533 0.833 0.500 CB 0.857 Z: 9 8.215 1.880 0.669 0.420 0.750 0.500 CB 1.341 9 residues pruned to eliminate duplicates Z: 7 4.287 1.637 -0.012 0.424 0.833 0.667 O 1.406 Z: 6 2.076 1.489 -0.204 0.456 0.800 0.400 CB 1.024 Z: 11 5.504 1.574 0.303 0.420 0.800 0.500 CB 1.153 Z: 11 3.270 1.433 0.401 0.231 0.700 0.300 CB 1.006 Z: 10 9.174 1.663 0.775 0.549 0.778 0.667 CB 1.270 Z: 9 7.564 1.559 0.522 0.662 0.875 0.625 N 1.109 8 residues pruned to eliminate duplicates Z: 12 8.573 1.697 0.561 0.631 0.909 0.545 CB 0.949 Z: 12 6.323 1.518 0.459 0.384 0.818 0.455 O 1.190 Z: 7 9.055 1.791 0.589 0.493 1.000 0.833 CB 1.308 7 residues pruned to eliminate duplicates Z: 16 13.593 1.727 0.545 0.870 0.933 0.867 CB 1.029 14 residues pruned to eliminate duplicates Z: 14 16.813 1.707 0.713 0.892 1.000 0.615 CB 1.146 13 residues pruned to eliminate duplicates Z: 7 6.108 1.645 0.335 0.331 1.000 0.500 O 1.366 7 residues pruned to eliminate duplicates Z: 10 4.593 1.489 0.411 0.446 0.667 0.556 N 1.155 Z: 9 9.315 1.667 0.906 0.498 0.875 0.625 CB 1.187 Z: 10 2.764 1.555 -0.141 0.334 0.889 0.444 CB 0.931 Z: 9 9.677 1.464 0.532 0.772 1.000 0.625 CB 1.199 Z: 9 4.259 1.580 0.630 0.423 0.875 0.625 CB 0.724 Z: 9 13.885 1.732 0.509 0.875 1.000 0.875 CB 1.366 9 residues pruned to eliminate duplicates Z: 11 14.095 1.693 0.388 0.903 1.000 0.900 CA 1.351 11 residues pruned to eliminate duplicates Z: 13 7.337 1.530 0.604 0.426 0.833 0.667 CB 1.118 Z: 8 3.862 1.611 0.280 0.595 0.714 0.429 CB 0.905 Z: 13 14.605 1.689 0.923 0.913 1.000 0.583 CB 0.919 13 residues pruned to eliminate duplicates Z: 14 16.144 1.758 0.502 0.912 0.923 0.923 CB 1.302 14 residues pruned to eliminate duplicates Z: 14 6.547 1.715 0.449 0.311 0.846 0.538 CB 1.065 14 residues pruned to eliminate duplicates Z: 14 5.211 1.476 0.539 0.280 0.769 0.538 N 1.060 8 residues pruned to eliminate duplicates Z: 6 2.727 1.216 0.206 0.533 0.800 0.400 CA 1.007 Z: 9 10.299 1.752 0.653 0.706 0.875 0.500 CB 1.191 9 residues pruned to eliminate duplicates Z: 6 3.945 1.600 0.297 0.356 1.000 0.400 CB 0.994 Z: 11 3.897 1.656 0.336 0.310 0.700 0.400 CB 0.982 Z: 11 12.442 1.661 0.927 0.899 0.800 0.500 CB 1.098 6 residues pruned to eliminate duplicates Z: 14 6.425 1.721 0.449 0.274 0.846 0.462 CB 1.091 5 residues pruned to eliminate duplicates Z: 8 6.278 1.586 0.407 0.476 0.857 0.571 N 1.271 Z: 7 3.168 1.709 0.081 0.365 0.667 0.500 CB 1.213 6 1.905 1.536 0.127 0.292 0.800 0.600 CB 0.777 ? Z: 8 5.694 1.550 0.397 0.540 0.857 0.429 CB 1.115 Z: 13 14.906 1.601 0.910 0.840 0.917 0.750 CB 1.145 13 residues pruned to eliminate duplicates Z: 14 15.850 1.777 0.627 0.831 1.000 0.769 CB 1.142 19 residues pruned to eliminate duplicates Z: 7 4.255 1.411 0.370 0.653 1.000 0.500 CB 0.779 Z: 10 6.996 1.586 0.960 0.449 0.889 0.444 CB 0.890 10 residues pruned to eliminate duplicates Z: 6 3.190 1.576 0.186 0.300 0.800 0.600 O 1.193 6 residues pruned to eliminate duplicates Z: 15 8.139 1.495 0.569 0.568 0.929 0.429 CB 0.935 11 residues pruned to eliminate duplicates Z: 14 6.254 1.498 0.225 0.431 0.923 0.615 O 1.100 Z: 8 10.450 1.823 0.773 0.466 0.857 0.714 CB 1.475 Z: 10 4.444 1.716 0.190 0.322 0.778 0.444 CB 1.134 10 residues pruned to eliminate duplicates 8 1.520 1.277 0.088 0.352 1.000 0.429 CB 0.485 ? Z: 18 20.798 1.744 0.779 0.898 1.000 0.824 CB 1.163 17 residues pruned to eliminate duplicates Z: 9 3.433 1.626 0.703 0.298 0.500 0.375 CB 1.099 Z: 17 14.993 1.593 0.786 0.853 1.000 0.750 CB 0.974 17 residues pruned to eliminate duplicates Z: 8 6.949 1.712 0.370 0.817 1.000 0.714 CB 0.850 Z: 6 3.582 1.553 0.310 0.294 0.800 0.600 CB 1.240 Z: 10 3.662 1.525 0.204 0.381 0.889 0.222 CB 0.849 Z: 10 3.963 1.386 0.550 0.405 1.000 0.667 CB 0.679 Z: 9 2.748 1.491 0.470 0.454 0.750 0.500 CB 0.620 9 residues pruned to eliminate duplicates Z: 10 9.207 1.697 0.482 0.547 0.889 0.556 CB 1.311 6 residues pruned to eliminate duplicates Z: 15 6.216 1.533 0.548 0.242 0.786 0.429 CB 1.200 7 residues pruned to eliminate duplicates Z: 9 5.871 1.557 0.695 0.294 0.875 0.500 CB 1.133 10 residues pruned to eliminate duplicates Z: 11 11.227 1.566 0.816 0.821 0.900 0.500 CB 1.051 11 residues pruned to eliminate duplicates Z: 9 11.215 1.546 0.698 0.829 1.000 0.750 CB 1.137 Z: 17 7.471 1.594 0.611 0.598 0.812 0.500 CB 0.815 17 residues pruned to eliminate duplicates Z: 11 9.209 1.575 0.417 0.871 1.000 0.800 CB 0.952 Z: 11 4.941 1.669 0.487 0.436 0.800 0.600 CB 0.841 11 residues pruned to eliminate duplicates Z: 13 14.980 1.634 0.816 0.871 0.917 0.667 CB 1.160 13 residues pruned to eliminate duplicates Z: 17 14.596 1.695 0.807 0.906 0.875 0.688 CB 0.968 17 residues pruned to eliminate duplicates Z: 7 8.194 1.657 0.730 0.625 0.833 0.833 CB 1.245 3 residues pruned to eliminate duplicates Z: 6 8.280 1.445 0.826 0.824 1.000 0.400 CA 1.060 5 residues pruned to eliminate duplicates Z: 12 7.421 1.739 0.529 0.384 0.818 0.364 CB 1.164 15 residues pruned to eliminate duplicates Z: 7 7.265 1.448 1.000 0.618 1.000 0.500 CB 0.916 Z: 9 2.556 1.435 0.332 0.174 0.625 0.500 O 1.122 Z: 11 6.435 1.512 0.250 0.476 1.000 0.500 O 1.103 Z: 7 6.125 1.662 0.407 0.533 0.833 0.333 O 1.243 Z: 9 4.824 1.635 0.315 0.341 0.750 0.625 CB 1.258 Z: 17 20.479 1.746 0.762 0.880 1.000 0.812 CB 1.206 17 residues pruned to eliminate duplicates Z: 13 12.713 1.658 0.396 0.876 1.000 0.833 CB 1.153 13 residues pruned to eliminate duplicates Z: 10 13.245 1.665 0.747 0.801 1.000 0.667 CB 1.167 9 residues pruned to eliminate duplicates Z: 12 9.787 1.607 0.872 0.772 0.727 0.545 CB 1.060 12 residues pruned to eliminate duplicates Z: 11 14.351 1.657 0.538 0.818 0.900 0.800 C 1.502 11 residues pruned to eliminate duplicates Z: 9 7.817 1.556 0.858 0.778 0.750 0.250 CB 0.997 Z: 6 3.432 1.538 0.187 0.372 0.800 0.600 C 1.206 Z: 7 3.342 1.635 0.398 0.390 0.667 0.500 CB 1.006 7 residues pruned to eliminate duplicates Z: 6 4.275 1.671 0.216 0.640 0.800 0.600 CB 1.032 Z: 6 2.549 1.501 0.159 0.790 1.000 0.800 CB 0.508 Z: 11 15.541 1.649 0.771 0.836 1.000 0.600 N 1.259 11 residues pruned to eliminate duplicates Z: 11 17.779 1.630 1.035 0.802 1.000 0.700 N 1.302 11 residues pruned to eliminate duplicates 6 0.578 1.228 0.454 0.299 1.000 0.800 CB 0.181 ? Z: 6 3.884 1.488 0.576 0.334 0.800 0.600 CB 1.110 6 residues pruned to eliminate duplicates Z: 16 11.630 1.624 0.466 0.886 0.933 0.733 CB 0.975 11 residues pruned to eliminate duplicates Z: 10 8.772 1.497 0.747 0.687 0.778 0.556 O 1.210 10 residues pruned to eliminate duplicates Z: 6 2.676 1.577 0.401 0.792 1.000 1.000 CB 0.419 Z: 8 9.907 1.744 0.778 0.893 1.000 0.857 CB 0.866 8 residues pruned to eliminate duplicates Z: 11 9.136 1.494 0.801 0.777 0.900 0.600 CB 0.934 9 residues pruned to eliminate duplicates Z: 12 4.628 1.388 0.563 0.273 0.818 0.455 CB 1.017 Z: 6 3.542 1.253 0.556 0.616 0.800 0.400 N 0.910 Z: 15 10.542 1.600 0.227 0.813 0.929 0.714 CB 1.177 15 residues pruned to eliminate duplicates Z: 6 6.482 1.653 1.138 0.713 1.000 0.800 CB 0.676 Z: 8 6.028 1.634 0.762 0.567 0.857 0.571 CB 0.866 9 residues pruned to eliminate duplicates Z: 10 12.218 1.645 0.610 0.786 0.889 0.556 CB 1.345 12 residues pruned to eliminate duplicates Z: 23 6.758 1.553 0.383 0.437 0.864 0.455 CB 0.829 12 residues pruned to eliminate duplicates Z: 8 9.017 1.484 0.490 0.888 1.000 1.000 O 1.111 Z: 11 3.650 1.507 0.360 0.361 0.800 0.500 N 0.817 Z: 8 4.364 1.638 0.423 0.314 0.714 0.429 O 1.217 Z: 6 2.957 1.331 0.251 0.560 1.000 0.600 CB 0.749 Z: 9 6.395 1.585 0.234 0.758 1.000 0.625 CB 0.919 9 residues pruned to eliminate duplicates Z: 9 7.196 1.518 0.783 0.775 1.000 0.625 CB 0.737 Z: 12 3.742 1.481 0.533 0.250 0.636 0.182 CB 1.041 12 residues pruned to eliminate duplicates Z: 6 7.343 1.636 0.336 0.554 1.000 0.600 CB 1.425 Z: 14 8.248 1.579 0.513 0.561 0.923 0.692 CB 0.977 8 residues pruned to eliminate duplicates Z: 14 11.755 1.434 0.631 0.847 1.000 0.769 N 1.035 8 residues pruned to eliminate duplicates Z: 15 12.940 1.680 0.437 0.640 1.000 0.643 CB 1.256 15 residues pruned to eliminate duplicates Z: 7 3.499 1.478 0.091 0.398 0.833 0.500 N 1.183 7 residues pruned to eliminate duplicates Z: 8 12.169 1.730 0.662 0.786 1.000 0.857 CB 1.244 8 residues pruned to eliminate duplicates Z: 6 2.027 1.267 0.696 0.281 0.800 0.600 N 0.676 Z: 6 2.950 1.611 0.520 0.432 0.800 0.600 CB 0.723 Z: 8 8.307 1.577 0.570 0.775 1.000 0.571 CB 0.995 Z: 14 17.273 1.656 0.913 0.862 1.000 0.538 CB 1.110 14 residues pruned to eliminate duplicates Z: 11 9.793 1.603 0.747 0.542 0.900 0.600 O 1.179 11 residues pruned to eliminate duplicates Z: 9 3.977 1.470 1.054 0.234 0.625 0.375 O 1.015 Z: 6 3.825 1.303 0.177 0.613 1.000 0.400 O 1.002 Z: 20 6.173 1.650 0.334 0.259 0.895 0.474 CB 0.947 11 residues pruned to eliminate duplicates Z: 11 9.683 1.622 0.560 0.530 0.900 0.700 CA 1.306 7 residues pruned to eliminate duplicates Z: 12 3.613 1.371 0.233 0.298 0.909 0.273 CB 0.888 11 residues pruned to eliminate duplicates Z: 7 8.150 1.768 0.283 0.837 0.833 0.833 CB 1.316 7 residues pruned to eliminate duplicates Z: 8 2.790 1.228 0.076 0.670 0.857 0.857 CB 0.796 Z: 12 7.052 1.515 0.665 0.564 0.818 0.636 N 0.968 Z: 6 2.044 1.555 0.618 0.278 0.600 0.400 CB 0.778 Z: 12 11.864 1.552 0.698 0.898 1.000 0.909 CB 0.971 12 residues pruned to eliminate duplicates Z: 8 4.829 1.604 0.005 0.671 0.857 0.429 N 1.128 5 residues pruned to eliminate duplicates Z: 7 2.261 1.280 0.683 0.424 0.500 0.500 N 0.927 Z: 6 4.053 1.235 0.818 0.731 0.800 0.800 CB 0.820 Z: 14 10.993 1.505 1.032 0.827 0.923 0.692 CB 0.814 9 residues pruned to eliminate duplicates Z: 6 5.813 1.483 0.728 0.493 1.000 0.400 CB 1.022 Z: 7 4.626 1.542 0.559 0.359 0.833 0.667 CB 1.097 Z: 6 2.706 1.528 0.412 0.341 0.800 0.600 CB 0.834 Z: 6 5.810 1.609 0.338 0.707 1.000 0.600 CB 1.000 6 residues pruned to eliminate duplicates Z: 10 9.289 1.637 0.936 0.433 0.889 0.667 CB 1.178 Z: 8 6.327 1.411 0.425 0.857 1.000 0.857 CB 0.877 7 residues pruned to eliminate duplicates Z: 15 9.515 1.486 0.331 0.914 1.000 1.000 CB 0.910 11 residues pruned to eliminate duplicates Z: 11 9.728 1.525 0.294 0.839 1.000 0.700 CB 1.164 11 residues pruned to eliminate duplicates Z: 7 2.576 1.610 0.386 0.238 0.667 0.333 CB 0.957 Z: 13 7.416 1.569 0.480 0.450 0.833 0.583 CB 1.165 9 residues pruned to eliminate duplicates Z: 10 9.996 1.533 0.503 0.877 1.000 0.778 CB 1.051 12 residues pruned to eliminate duplicates 8 1.729 1.488 0.045 0.254 0.714 0.429 CB 0.780 ? 6 1.405 1.503 0.454 0.104 0.800 0.400 CB 0.595 ? Z: 14 13.415 1.632 0.327 0.871 1.000 0.846 CB 1.253 14 residues pruned to eliminate duplicates Z: 10 3.188 1.460 0.402 0.164 0.778 0.333 CB 1.005 Z: 15 4.786 1.504 0.364 0.266 0.643 0.214 CB 1.266 7 residues pruned to eliminate duplicates Z: 14 13.629 1.662 0.405 0.857 1.000 0.846 CB 1.192 14 residues pruned to eliminate duplicates Z: 12 5.921 1.453 0.393 0.380 0.909 0.455 CB 1.102 Z: 6 2.088 1.610 0.151 0.288 0.600 0.400 CB 1.065 Z: 9 6.263 1.541 0.646 0.808 0.750 0.625 CB 0.889 9 residues pruned to eliminate duplicates Z: 23 7.390 1.527 0.463 0.464 0.864 0.409 CB 0.847 19 residues pruned to eliminate duplicates Z: 10 5.111 1.543 0.606 0.497 0.778 0.667 CB 0.886 10 residues pruned to eliminate duplicates Z: 16 6.856 1.620 0.409 0.255 0.867 0.467 CB 1.185 16 residues pruned to eliminate duplicates Z: 6 4.823 1.560 0.621 0.298 0.800 0.600 CA 1.337 6 1.345 1.312 0.317 0.433 0.800 0.200 CB 0.466 ? Z: 11 13.092 1.586 0.786 0.723 0.900 0.600 O 1.328 8 residues pruned to eliminate duplicates Z: 11 12.191 1.506 0.477 0.823 1.000 0.900 CB 1.310 11 residues pruned to eliminate duplicates Z: 11 10.238 1.597 0.564 0.888 1.000 0.900 CB 0.934 11 residues pruned to eliminate duplicates Z: 9 3.331 1.678 0.403 0.788 0.750 0.500 CB 0.518 7 residues pruned to eliminate duplicates Z: 12 5.571 1.686 0.280 0.504 0.818 0.545 CB 0.948 12 residues pruned to eliminate duplicates Z: 11 3.760 1.272 1.014 0.322 0.700 0.600 N 0.807 7 residues pruned to eliminate duplicates Z: 7 7.292 1.599 0.508 0.764 0.833 0.833 N 1.172 7 residues pruned to eliminate duplicates Z: 11 8.238 1.546 0.518 0.593 0.800 0.600 CB 1.269 Z: 7 2.865 1.287 0.592 0.353 0.667 0.333 N 1.003 Z: 7 2.205 1.544 0.436 0.850 0.833 0.833 CB 0.361 7 residues pruned to eliminate duplicates Z: 8 3.499 1.421 0.218 0.424 0.857 0.429 C 0.965 Z: 10 6.180 1.462 0.805 0.360 0.778 0.556 CB 1.167 11 residues pruned to eliminate duplicates Z: 7 3.443 1.371 0.619 0.294 0.833 0.333 CB 0.957 Z: 11 7.108 1.455 0.657 0.820 0.900 0.700 CB 0.785 10 residues pruned to eliminate duplicates Z: 6 3.719 1.424 0.397 0.547 0.800 0.600 O 0.998 Z: 14 6.320 1.556 0.205 0.860 1.000 0.692 CB 0.687 9 residues pruned to eliminate duplicates 6 1.754 1.576 0.127 0.458 0.800 0.600 CB 0.577 ? Z: 6 2.722 1.401 0.159 0.485 0.800 0.600 CB 0.951 Z: 8 12.673 1.632 0.708 0.873 1.000 0.857 CB 1.252 Z: 23 10.933 1.653 0.755 0.502 0.818 0.636 CB 0.980 30 residues pruned to eliminate duplicates Z: 7 3.093 1.505 0.453 0.510 0.667 0.500 CB 0.857 Z: 8 3.920 1.621 0.523 0.399 0.857 0.571 CB 0.779 6 1.837 1.225 0.292 0.723 0.400 0.400 N 1.061 ? Z: 10 11.012 1.613 0.335 0.859 0.889 0.778 O 1.410 17 residues pruned to eliminate duplicates Z: 12 7.685 1.722 0.572 0.534 0.818 0.273 CB 1.011 19 residues pruned to eliminate duplicates Z: 10 10.731 1.578 0.540 0.867 1.000 0.556 CB 1.076 13 residues pruned to eliminate duplicates 6 1.909 1.120 0.448 0.680 1.000 0.600 CB 0.446 ? Z: 7 4.072 1.480 0.480 0.438 0.833 0.667 CB 0.971 7 residues pruned to eliminate duplicates Z: 9 4.013 1.439 0.676 0.294 0.875 0.500 N 0.847 Z: 6 3.437 1.356 0.448 0.478 0.800 0.400 CB 1.000 Z: 12 3.699 1.562 0.308 0.276 0.727 0.455 CB 0.967 6 residues pruned to eliminate duplicates Z: 8 2.333 1.457 0.291 0.271 1.000 0.571 CB 0.608 Z: 8 7.779 1.618 0.485 0.667 0.857 0.714 CA 1.224 10 residues pruned to eliminate duplicates Z: 17 17.930 1.675 1.090 0.894 1.000 0.625 CB 0.919 17 residues pruned to eliminate duplicates Z: 8 3.500 1.349 0.168 0.358 0.857 0.429 N 1.141 6 1.593 1.312 0.424 0.440 0.400 0.400 O 1.014 ? 7 1.181 1.170 0.567 0.243 0.500 0.500 N 0.708 ? Z: 6 2.061 1.442 0.455 0.324 0.600 0.400 CB 0.889 Z: 7 3.574 1.170 0.740 0.515 0.833 0.667 C 0.848 7 1.581 1.252 0.295 0.239 0.667 0.333 CB 0.808 ? Z: 6 2.124 1.555 0.975 0.330 0.600 0.400 CB 0.621 6 residues pruned to eliminate duplicates Z: 7 2.398 1.146 0.701 0.358 0.833 0.333 C 0.703 Z: 19 10.531 1.408 0.588 0.708 0.889 0.556 N 1.034 19 residues pruned to eliminate duplicates Z: 8 8.482 1.585 0.972 0.637 0.857 0.571 CB 1.052 8 residues pruned to eliminate duplicates 411 residues left after pruning, divided into chains as follows: A: 11 B: 7 C: 6 D: 10 E: 8 F: 28 G: 9 H: 17 I: 15 J: 7 K: 13 L: 11 M: 13 N: 11 O: 6 P: 11 Q: 6 R: 6 S: 14 T: 6 U: 11 V: 7 W: 7 X: 16 Y: 9 Z: 13 Z: 17 Z: 18 Z: 49 Z: 11 Z: 8 Z: 30 CC for partial structure against native data = 25.52 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.460, Connect. = 0.710 for dens.mod. cycle 1 = 0.300, Contrast = 0.551, Connect. = 0.737 for dens.mod. cycle 2 = 0.300, Contrast = 0.651, Connect. = 0.768 for dens.mod. cycle 3 = 0.300, Contrast = 0.668, Connect. = 0.773 for dens.mod. cycle 4 = 0.300, Contrast = 0.680, Connect. = 0.777 for dens.mod. cycle 5 = 0.300, Contrast = 0.684, Connect. = 0.779 for dens.mod. cycle 6 = 0.300, Contrast = 0.689, Connect. = 0.782 for dens.mod. cycle 7 = 0.300, Contrast = 0.689, Connect. = 0.783 for dens.mod. cycle 8 = 0.300, Contrast = 0.691, Connect. = 0.785 for dens.mod. cycle 9 = 0.300, Contrast = 0.691, Connect. = 0.786 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2475 peaks > 0.5 sigma used to seed fragment search Space for about 918 unique residues taking solvent into account 566 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 20.944 2.039 0.572 0.819 0.923 0.846 CB 1.489 B: 12 14.743 1.716 0.754 0.884 1.000 0.818 CB 1.067 C: 9 14.742 1.917 0.486 0.784 0.875 0.625 CA 1.628 10 residues pruned to eliminate duplicates D: 15 15.935 1.865 0.558 0.873 0.857 0.786 CB 1.245 E: 14 29.086 2.095 0.748 0.897 1.000 0.923 CB 1.577 14 residues pruned to eliminate duplicates F: 15 30.613 1.956 0.864 0.922 1.000 1.000 CB 1.578 14 residues pruned to eliminate duplicates G: 10 8.491 1.896 0.666 0.385 0.778 0.556 CB 1.301 H: 18 24.714 2.049 0.676 0.846 0.941 0.882 CB 1.378 I: 18 21.296 1.897 0.635 0.904 0.941 0.824 CB 1.260 J: 13 12.132 1.729 0.618 0.822 0.750 0.417 N 1.262 K: 13 22.630 1.943 0.837 0.876 1.000 0.833 CB 1.330 13 residues pruned to eliminate duplicates L: 14 23.223 2.037 0.507 0.882 1.000 0.923 CB 1.518 14 residues pruned to eliminate duplicates M: 17 28.556 2.060 0.804 0.905 1.000 0.812 CB 1.368 18 residues pruned to eliminate duplicates N: 12 9.195 1.928 0.354 0.898 0.909 0.909 CB 0.836 O: 18 19.490 1.874 0.671 0.873 0.941 0.706 CB 1.168 18 residues pruned to eliminate duplicates P: 10 20.364 2.002 0.787 0.802 0.889 0.333 N 1.640 9 residues pruned to eliminate duplicates Q: 18 21.058 1.877 0.673 0.904 0.941 0.882 CB 1.231 18 residues pruned to eliminate duplicates R: 24 12.988 1.800 0.437 0.511 0.870 0.739 CB 1.191 S: 15 16.395 1.853 0.389 0.827 1.000 0.786 CB 1.282 16 residues pruned to eliminate duplicates T: 11 9.978 1.845 0.464 0.484 0.900 0.600 CB 1.319 U: 14 21.672 1.957 1.032 0.777 0.923 0.692 CB 1.282 14 residues pruned to eliminate duplicates V: 16 27.162 1.878 0.823 0.891 1.000 0.933 CB 1.473 16 residues pruned to eliminate duplicates W: 12 12.532 2.018 0.467 0.916 1.000 0.909 CB 0.901 12 residues pruned to eliminate duplicates X: 8 9.791 1.627 0.395 0.835 1.000 0.857 CB 1.222 Y: 12 14.937 1.944 0.767 0.474 1.000 0.727 CB 1.347 Z: 13 11.879 1.894 0.587 0.893 1.000 0.833 CB 0.819 12 residues pruned to eliminate duplicates Z: 19 27.258 2.029 0.661 0.891 1.000 0.833 CB 1.371 18 residues pruned to eliminate duplicates Z: 16 21.066 1.898 0.570 0.843 1.000 0.733 CB 1.359 14 residues pruned to eliminate duplicates Z: 12 11.902 1.731 0.488 0.869 1.000 0.727 CB 1.017 10 residues pruned to eliminate duplicates Z: 9 12.257 1.897 0.702 0.636 0.875 0.625 CB 1.351 Z: 7 4.283 1.715 0.547 0.839 1.000 0.500 CB 0.492 Z: 7 11.552 2.022 0.665 0.592 0.833 0.667 CB 1.540 7 residues pruned to eliminate duplicates Z: 12 13.309 1.874 0.456 0.567 0.909 0.545 CA 1.515 9 residues pruned to eliminate duplicates Z: 18 24.006 2.048 0.681 0.904 1.000 0.824 CB 1.204 18 residues pruned to eliminate duplicates Z: 11 9.702 1.799 0.341 0.843 0.900 0.800 CB 1.052 Z: 18 25.557 2.031 0.573 0.899 1.000 0.882 CB 1.387 17 residues pruned to eliminate duplicates Z: 12 13.553 1.654 0.377 0.911 1.000 0.727 CB 1.271 Z: 13 6.361 1.601 0.736 0.349 0.667 0.333 CB 1.166 Z: 6 2.873 1.908 0.039 0.549 1.000 0.400 CB 0.618 Z: 17 17.850 1.796 0.445 0.855 1.000 0.812 CB 1.269 17 residues pruned to eliminate duplicates Z: 24 10.985 1.726 0.715 0.379 0.739 0.478 CB 1.191 33 residues pruned to eliminate duplicates Z: 9 5.538 1.769 0.541 0.496 0.750 0.500 CB 0.961 Z: 18 25.267 1.884 1.100 0.912 1.000 0.529 CB 1.097 19 residues pruned to eliminate duplicates Z: 20 17.646 1.825 0.492 0.831 0.947 0.737 CB 1.179 20 residues pruned to eliminate duplicates Z: 22 17.019 1.934 0.709 0.534 0.905 0.619 CB 1.201 22 residues pruned to eliminate duplicates Z: 13 8.276 1.647 0.216 0.884 1.000 0.917 CB 0.862 13 residues pruned to eliminate duplicates Z: 13 17.362 1.742 0.660 0.898 1.000 1.000 CB 1.240 Z: 13 12.651 1.653 0.483 0.842 1.000 0.833 CB 1.110 13 residues pruned to eliminate duplicates Z: 10 6.216 1.822 0.568 0.328 0.778 0.333 CB 1.127 Z: 10 4.796 1.790 0.551 0.349 0.556 0.444 CB 1.222 7 residues pruned to eliminate duplicates Z: 29 29.122 1.988 0.701 0.759 0.964 0.821 CB 1.340 19 residues pruned to eliminate duplicates Z: 12 14.965 1.848 0.834 0.906 0.909 0.909 CB 1.042 Z: 19 21.841 1.948 0.593 0.883 0.944 0.889 CB 1.270 19 residues pruned to eliminate duplicates Z: 13 22.892 2.093 0.791 0.885 0.917 0.833 CB 1.388 13 residues pruned to eliminate duplicates Z: 7 8.030 1.903 0.393 0.726 1.000 0.833 CB 1.008 Z: 52 19.000 1.729 0.485 0.594 0.902 0.549 CB 1.050 40 residues pruned to eliminate duplicates Z: 9 11.682 1.879 0.221 0.804 1.000 0.750 CA 1.380 9 residues pruned to eliminate duplicates Z: 17 24.865 2.076 0.790 0.880 0.875 0.750 CB 1.385 17 residues pruned to eliminate duplicates Z: 12 14.621 1.836 1.043 0.608 0.727 0.545 CB 1.458 10 residues pruned to eliminate duplicates Z: 6 7.969 1.832 0.355 0.647 1.000 0.800 CB 1.251 Z: 15 17.123 1.838 0.814 0.710 0.857 0.429 CB 1.324 15 residues pruned to eliminate duplicates Z: 14 18.102 1.875 0.434 0.846 1.000 0.538 CB 1.388 15 residues pruned to eliminate duplicates Z: 15 15.482 1.880 0.144 0.882 1.000 0.786 CB 1.392 14 residues pruned to eliminate duplicates Z: 11 9.138 1.760 0.296 0.420 0.900 0.600 O 1.529 11 residues pruned to eliminate duplicates Z: 11 16.144 1.889 0.784 0.851 1.000 0.900 CB 1.122 10 residues pruned to eliminate duplicates Z: 8 6.362 1.791 0.541 0.527 0.857 0.714 CB 0.990 7 residues pruned to eliminate duplicates Z: 18 8.796 1.733 0.831 0.430 0.765 0.471 CB 0.945 7 residues pruned to eliminate duplicates Z: 11 21.732 1.870 0.929 0.845 1.000 0.800 CB 1.416 11 residues pruned to eliminate duplicates Z: 23 13.843 1.785 0.564 0.532 0.909 0.682 CB 1.126 24 residues pruned to eliminate duplicates Z: 12 15.845 1.843 0.942 0.905 0.909 0.727 CB 1.045 12 residues pruned to eliminate duplicates Z: 6 4.331 1.675 0.145 0.470 0.800 0.600 CB 1.301 6 residues pruned to eliminate duplicates Z: 11 17.638 1.891 0.749 0.803 1.000 0.700 CB 1.294 11 residues pruned to eliminate duplicates Z: 17 5.331 1.746 0.363 0.294 0.750 0.562 CB 0.941 17 residues pruned to eliminate duplicates Z: 13 4.722 1.676 0.981 0.814 0.917 0.667 CB 0.341 Z: 6 8.437 1.839 0.829 0.622 0.800 0.800 CB 1.249 Z: 9 6.550 1.726 0.326 0.414 0.875 0.500 CB 1.265 Z: 14 10.770 1.540 0.534 0.816 1.000 0.615 CB 0.961 13 residues pruned to eliminate duplicates Z: 8 5.675 1.670 0.746 0.319 0.714 0.429 CB 1.258 8 residues pruned to eliminate duplicates Z: 7 11.763 1.687 0.834 0.872 1.000 0.833 CB 1.132 7 residues pruned to eliminate duplicates Z: 11 17.130 1.807 0.703 0.916 1.000 0.800 CB 1.243 Z: 14 8.775 1.918 0.514 0.514 0.846 0.692 CB 0.977 13 residues pruned to eliminate duplicates Z: 13 10.735 1.771 0.643 0.881 0.750 0.667 CB 1.029 6 residues pruned to eliminate duplicates Z: 12 11.595 1.582 0.662 0.878 1.000 0.818 CB 0.965 Z: 11 10.640 1.774 0.455 0.766 0.900 0.600 CB 1.144 11 residues pruned to eliminate duplicates Z: 9 9.829 1.580 0.754 0.629 0.875 0.750 N 1.270 Z: 11 15.742 1.839 0.657 0.853 1.000 0.900 CB 1.208 11 residues pruned to eliminate duplicates Z: 8 7.297 1.779 0.765 0.554 0.857 0.714 CB 0.972 9 residues pruned to eliminate duplicates Z: 9 15.071 1.988 0.765 0.902 0.875 0.750 CB 1.238 9 residues pruned to eliminate duplicates Z: 10 6.989 1.818 0.515 0.443 0.778 0.556 CB 1.153 6 residues pruned to eliminate duplicates Z: 7 2.524 1.600 0.229 0.697 0.833 0.833 CB 0.525 Z: 9 3.784 1.721 0.532 0.828 0.875 0.750 CB 0.436 Z: 12 13.363 1.805 0.384 0.870 1.000 0.727 CB 1.178 11 residues pruned to eliminate duplicates Z: 10 13.856 1.832 0.805 0.567 1.000 0.778 CB 1.309 13 residues pruned to eliminate duplicates Z: 7 6.040 1.608 0.928 0.548 1.000 0.667 CB 0.759 Z: 12 12.543 1.821 0.680 0.790 0.909 0.818 CB 1.053 14 residues pruned to eliminate duplicates Z: 13 12.429 1.890 0.510 0.497 1.000 0.750 CB 1.260 Z: 6 5.380 1.815 0.012 0.600 1.000 0.600 CB 1.191 6 residues pruned to eliminate duplicates Z: 10 4.657 1.670 0.173 0.367 0.667 0.444 CB 1.371 Z: 6 4.438 1.655 0.422 0.393 0.800 0.800 CB 1.181 Z: 8 7.846 1.730 0.311 0.392 1.000 0.714 O 1.466 10 residues pruned to eliminate duplicates Z: 10 10.315 1.745 0.617 0.699 0.889 0.667 CB 1.144 10 residues pruned to eliminate duplicates Z: 13 14.098 1.766 0.417 0.840 1.000 0.750 CB 1.214 13 residues pruned to eliminate duplicates Z: 19 20.683 1.811 0.670 0.874 0.944 0.722 CB 1.242 19 residues pruned to eliminate duplicates Z: 12 5.605 1.638 0.495 0.418 0.818 0.545 CB 0.918 12 residues pruned to eliminate duplicates Z: 10 4.894 1.365 0.341 0.371 1.000 0.556 CB 1.022 Z: 8 5.139 1.675 0.400 0.399 0.714 0.286 CA 1.290 8 residues pruned to eliminate duplicates Z: 10 8.819 1.776 0.657 0.635 0.889 0.333 CB 0.990 10 residues pruned to eliminate duplicates Z: 14 9.647 1.576 0.731 0.835 0.923 0.769 CB 0.796 14 residues pruned to eliminate duplicates Z: 7 5.607 1.586 0.758 0.541 0.833 0.667 N 0.947 Z: 12 15.401 1.985 0.790 0.887 1.000 0.455 CB 0.943 11 residues pruned to eliminate duplicates Z: 17 17.069 1.847 0.612 0.773 0.875 0.688 CB 1.287 15 residues pruned to eliminate duplicates Z: 14 15.545 1.951 0.146 0.892 1.000 0.769 CB 1.386 14 residues pruned to eliminate duplicates Z: 14 5.938 1.669 0.274 0.385 0.846 0.615 CB 1.034 12 residues pruned to eliminate duplicates Z: 12 14.339 2.016 0.605 0.869 1.000 0.727 CB 0.976 12 residues pruned to eliminate duplicates Z: 6 8.526 1.923 0.793 0.859 1.000 1.000 CB 0.814 9 residues pruned to eliminate duplicates 6 1.769 1.888 -0.001 0.576 1.000 0.600 CB 0.390 ? Z: 9 4.565 1.754 0.020 0.418 1.000 0.500 CB 0.983 9 residues pruned to eliminate duplicates Z: 16 22.804 1.876 0.917 0.851 0.867 0.400 CB 1.398 16 residues pruned to eliminate duplicates Z: 10 8.237 1.704 0.867 0.667 0.889 0.778 CB 0.832 Z: 15 18.223 1.922 0.528 0.839 0.857 0.643 CB 1.445 18 residues pruned to eliminate duplicates Z: 8 4.146 1.525 0.413 0.453 1.000 0.714 CB 0.763 9 residues pruned to eliminate duplicates Z: 17 21.295 2.037 0.294 0.917 1.000 0.875 CB 1.426 17 residues pruned to eliminate duplicates Z: 6 4.251 1.503 0.551 0.658 0.800 0.800 CB 0.881 Z: 9 8.085 1.845 0.588 0.874 1.000 0.875 CB 0.710 9 residues pruned to eliminate duplicates Z: 8 4.907 1.728 0.383 0.446 0.571 0.286 O 1.435 8 residues pruned to eliminate duplicates Z: 6 11.201 1.887 0.813 0.700 1.000 0.800 CB 1.220 Z: 6 8.005 1.759 0.324 0.729 1.000 0.800 CB 1.250 Z: 7 4.477 1.663 0.052 0.584 0.833 0.500 CB 1.157 Z: 10 10.802 1.824 0.618 0.653 1.000 0.444 CB 1.059 11 residues pruned to eliminate duplicates Z: 13 15.045 1.906 0.932 0.474 0.917 0.583 CB 1.321 13 residues pruned to eliminate duplicates Z: 15 14.605 1.662 0.753 0.809 1.000 0.714 CB 1.024 13 residues pruned to eliminate duplicates Z: 23 10.310 1.726 0.469 0.487 0.864 0.500 CB 1.017 18 residues pruned to eliminate duplicates Z: 10 14.522 1.851 0.515 0.882 1.000 0.889 CB 1.249 10 residues pruned to eliminate duplicates Z: 11 10.277 1.792 0.480 0.867 0.900 0.600 CB 0.996 11 residues pruned to eliminate duplicates Z: 11 14.588 1.804 0.572 0.788 0.900 0.600 CA 1.403 11 residues pruned to eliminate duplicates Z: 10 9.074 1.628 0.147 0.856 1.000 1.000 N 1.194 10 residues pruned to eliminate duplicates Z: 15 14.466 1.863 0.686 0.645 0.857 0.429 CB 1.254 15 residues pruned to eliminate duplicates Z: 28 26.486 1.976 0.702 0.717 0.926 0.815 CB 1.345 28 residues pruned to eliminate duplicates Z: 8 6.018 1.689 0.717 0.691 1.000 0.857 CB 0.658 7 residues pruned to eliminate duplicates 6 1.749 1.557 0.788 0.298 0.800 0.600 CB 0.440 ? Z: 16 6.683 1.706 0.329 0.279 0.867 0.467 CB 1.127 18 residues pruned to eliminate duplicates Z: 13 9.516 1.575 0.472 0.805 0.750 0.583 CB 1.210 13 residues pruned to eliminate duplicates Z: 15 4.553 1.480 0.456 0.198 0.786 0.429 N 1.030 Z: 13 12.388 1.749 0.123 0.836 1.000 0.583 CB 1.363 13 residues pruned to eliminate duplicates Z: 17 9.395 1.743 0.569 0.542 0.875 0.500 CB 0.942 Z: 12 5.822 1.755 0.437 0.388 0.818 0.455 CB 0.958 12 residues pruned to eliminate duplicates Z: 15 25.121 1.911 0.966 0.876 0.929 0.786 CB 1.399 15 residues pruned to eliminate duplicates Z: 9 3.346 1.527 0.268 0.394 0.750 0.625 CB 0.911 Z: 7 9.642 1.614 0.653 0.863 0.833 0.833 CB 1.299 Z: 11 6.872 1.664 0.177 0.495 1.000 0.600 N 1.115 12 residues pruned to eliminate duplicates Z: 11 9.670 1.767 0.251 0.900 1.000 0.900 CB 0.988 11 residues pruned to eliminate duplicates Z: 17 18.691 1.928 0.543 0.835 1.000 0.812 CB 1.177 17 residues pruned to eliminate duplicates Z: 10 17.796 1.938 0.631 0.890 1.000 0.889 CB 1.350 10 residues pruned to eliminate duplicates Z: 11 6.627 1.723 0.335 0.818 0.900 0.500 CB 0.768 11 residues pruned to eliminate duplicates Z: 13 9.755 1.843 0.452 0.633 0.833 0.667 CB 1.114 13 residues pruned to eliminate duplicates Z: 11 8.528 1.710 0.620 0.375 0.800 0.400 CB 1.390 5 residues pruned to eliminate duplicates Z: 8 8.781 1.674 0.106 0.809 1.000 0.714 CB 1.369 8 residues pruned to eliminate duplicates Z: 7 3.732 1.604 0.575 0.246 0.667 0.500 N 1.214 5 residues pruned to eliminate duplicates 6 0.952 1.192 -0.050 0.326 0.600 0.600 CB 0.758 ? Z: 20 11.704 1.655 0.441 0.565 0.895 0.421 CB 1.182 12 residues pruned to eliminate duplicates Z: 6 4.227 1.510 0.843 0.493 0.600 0.600 CB 1.140 Z: 8 5.906 1.622 0.303 0.544 0.857 0.429 CB 1.180 8 residues pruned to eliminate duplicates Z: 15 22.129 1.962 0.609 0.875 0.929 0.929 CB 1.467 15 residues pruned to eliminate duplicates Z: 16 10.390 1.719 0.579 0.599 0.867 0.733 CB 1.038 16 residues pruned to eliminate duplicates Z: 12 13.535 1.667 0.598 0.842 0.909 0.636 N 1.255 11 residues pruned to eliminate duplicates Z: 9 11.014 1.705 0.692 0.873 0.875 0.625 CB 1.124 9 residues pruned to eliminate duplicates Z: 14 13.155 1.647 0.441 0.825 0.923 0.615 N 1.256 12 residues pruned to eliminate duplicates Z: 18 10.905 1.735 0.575 0.457 0.824 0.529 CB 1.228 18 residues pruned to eliminate duplicates Z: 15 12.078 1.749 0.627 0.455 0.857 0.643 CB 1.386 15 residues pruned to eliminate duplicates Z: 15 6.409 1.724 0.298 0.540 0.714 0.571 CB 1.030 15 residues pruned to eliminate duplicates Z: 13 12.925 1.764 0.806 0.441 0.917 0.667 CB 1.358 13 residues pruned to eliminate duplicates Z: 7 3.712 1.520 0.656 0.401 0.667 0.500 CB 1.003 Z: 19 19.265 1.853 0.741 0.859 0.944 0.667 CB 1.097 19 residues pruned to eliminate duplicates Z: 7 3.602 1.399 0.648 0.349 0.667 0.500 O 1.127 Z: 8 4.182 1.534 0.592 0.614 0.714 0.571 CB 0.814 6 residues pruned to eliminate duplicates Z: 6 3.225 1.495 0.597 0.294 0.800 0.400 CB 0.951 Z: 11 11.984 1.604 1.062 0.514 0.900 0.400 CB 1.256 11 residues pruned to eliminate duplicates Z: 9 6.506 1.644 0.291 0.510 0.875 0.375 CB 1.227 10 residues pruned to eliminate duplicates Z: 7 5.748 1.619 0.385 0.680 0.833 0.667 CB 1.064 6 residues pruned to eliminate duplicates Z: 7 6.466 1.598 0.303 0.737 0.833 0.500 CB 1.230 4 residues pruned to eliminate duplicates Z: 19 20.292 1.869 0.563 0.845 1.000 0.722 CB 1.217 19 residues pruned to eliminate duplicates Z: 17 16.800 1.582 0.563 0.842 0.938 0.750 CB 1.350 13 residues pruned to eliminate duplicates Z: 7 2.300 1.613 0.734 0.875 0.833 0.500 CB 0.293 7 residues pruned to eliminate duplicates Z: 13 19.132 1.693 0.745 0.856 0.917 0.667 CB 1.504 12 residues pruned to eliminate duplicates Z: 9 6.857 1.754 0.583 0.466 0.750 0.500 CB 1.205 9 residues pruned to eliminate duplicates Z: 18 22.217 1.927 0.642 0.874 1.000 0.882 CB 1.239 18 residues pruned to eliminate duplicates Z: 7 4.761 1.493 0.343 0.462 0.833 0.667 O 1.209 Z: 11 13.036 1.971 0.566 0.889 1.000 0.600 CB 0.962 11 residues pruned to eliminate duplicates Z: 14 13.649 1.649 0.441 0.829 0.923 0.692 CB 1.298 14 residues pruned to eliminate duplicates Z: 13 5.436 1.610 0.416 0.405 0.750 0.583 CB 1.014 6 residues pruned to eliminate duplicates Z: 8 5.006 1.530 0.762 0.403 0.857 0.429 N 0.907 Z: 20 16.744 1.839 0.407 0.697 0.947 0.684 CB 1.309 15 residues pruned to eliminate duplicates Z: 11 5.431 1.621 0.614 0.306 0.700 0.400 CB 1.164 Z: 14 10.852 1.600 0.367 0.793 0.923 0.462 CB 1.153 14 residues pruned to eliminate duplicates Z: 6 2.328 1.350 0.130 0.585 0.800 0.600 N 0.786 Z: 6 4.310 1.401 1.010 0.452 0.800 0.600 N 0.898 Z: 19 8.243 1.460 0.549 0.559 0.833 0.500 CB 0.974 19 residues pruned to eliminate duplicates Z: 8 2.406 1.345 0.137 0.324 0.857 0.286 CB 0.842 Z: 9 9.049 1.618 0.206 0.861 1.000 1.000 CA 1.204 9 residues pruned to eliminate duplicates Z: 9 3.353 1.550 0.322 0.393 0.625 0.500 CB 1.036 Z: 10 7.554 1.654 0.571 0.817 0.889 0.889 CB 0.828 5 residues pruned to eliminate duplicates Z: 13 7.605 1.664 0.571 0.289 0.750 0.417 N 1.420 13 residues pruned to eliminate duplicates Z: 8 7.663 1.467 0.951 0.551 0.857 0.714 O 1.122 9 residues pruned to eliminate duplicates Z: 10 3.251 1.445 0.484 0.439 0.667 0.444 CB 0.807 10 residues pruned to eliminate duplicates Z: 11 10.588 1.751 0.489 0.842 0.900 0.700 CB 1.064 11 residues pruned to eliminate duplicates Z: 9 4.110 1.509 0.157 0.396 0.875 0.250 CB 1.061 Z: 6 5.926 1.600 0.743 0.399 1.000 0.800 N 1.058 Z: 15 9.901 1.573 0.454 0.837 0.786 0.429 N 1.101 15 residues pruned to eliminate duplicates Z: 6 2.648 1.763 0.278 0.471 0.600 0.400 CB 0.902 4 residues pruned to eliminate duplicates Z: 9 5.819 1.624 0.844 0.434 0.625 0.500 CB 1.176 5 residues pruned to eliminate duplicates Z: 8 6.207 1.736 0.610 0.637 0.857 0.857 CB 0.862 8 residues pruned to eliminate duplicates Z: 15 4.841 1.569 0.182 0.384 0.786 0.571 CB 1.004 8 residues pruned to eliminate duplicates Z: 10 4.616 1.619 0.319 0.447 0.667 0.556 CB 1.142 9 residues pruned to eliminate duplicates 6 1.862 1.267 0.598 0.651 0.600 0.600 CB 0.595 ? Z: 24 15.242 1.765 0.598 0.556 0.913 0.783 CB 1.169 25 residues pruned to eliminate duplicates Z: 12 11.760 1.982 0.517 0.501 0.909 0.455 CB 1.296 12 residues pruned to eliminate duplicates Z: 29 20.227 1.786 0.699 0.647 0.893 0.714 CB 1.230 29 residues pruned to eliminate duplicates Z: 11 12.238 1.682 0.460 0.894 1.000 0.800 CB 1.131 11 residues pruned to eliminate duplicates Z: 12 5.252 1.462 0.442 0.373 0.818 0.182 CB 1.052 Z: 13 20.016 1.936 0.788 0.817 0.917 0.750 CB 1.383 13 residues pruned to eliminate duplicates Z: 8 4.902 1.714 0.385 0.853 1.000 1.000 CB 0.577 8 residues pruned to eliminate duplicates Z: 14 13.640 1.745 0.450 0.836 0.923 0.692 CB 1.212 14 residues pruned to eliminate duplicates Z: 6 5.903 1.585 0.144 0.568 1.000 0.600 N 1.364 Z: 6 3.566 1.431 0.494 0.407 1.000 0.600 CB 0.823 Z: 6 3.795 1.605 0.059 0.652 1.000 0.600 CB 0.866 Z: 12 18.395 1.806 0.716 0.865 1.000 0.545 CB 1.310 12 residues pruned to eliminate duplicates Z: 29 12.064 1.731 0.660 0.380 0.750 0.321 CB 1.202 29 residues pruned to eliminate duplicates Z: 14 8.167 1.637 0.587 0.651 0.923 0.615 CB 0.820 14 residues pruned to eliminate duplicates Z: 12 20.718 1.820 1.080 0.872 1.000 0.455 CB 1.203 12 residues pruned to eliminate duplicates Z: 14 17.975 1.627 0.813 0.826 1.000 0.615 N 1.275 14 residues pruned to eliminate duplicates Z: 13 13.696 1.667 0.610 0.803 0.917 0.750 CB 1.234 13 residues pruned to eliminate duplicates Z: 11 7.538 1.789 0.929 0.929 1.000 0.800 CB 0.483 13 residues pruned to eliminate duplicates Z: 10 14.353 1.744 0.637 0.847 0.889 0.556 CB 1.400 10 residues pruned to eliminate duplicates Z: 11 9.348 1.752 0.472 0.566 0.900 0.800 CB 1.194 Z: 19 19.772 1.836 0.656 0.850 0.944 0.667 CB 1.202 19 residues pruned to eliminate duplicates Z: 15 14.692 1.851 0.711 0.681 0.786 0.571 CB 1.336 15 residues pruned to eliminate duplicates Z: 7 11.171 1.933 0.864 0.882 1.000 1.000 CB 0.916 7 residues pruned to eliminate duplicates Z: 12 8.927 1.620 0.778 0.542 0.818 0.727 CB 1.096 11 residues pruned to eliminate duplicates Z: 18 8.307 1.726 0.836 0.606 0.882 0.706 CB 0.651 10 residues pruned to eliminate duplicates Z: 12 5.131 1.604 0.603 0.258 0.727 0.364 CB 1.092 12 residues pruned to eliminate duplicates Z: 6 3.364 0.974 0.963 0.750 1.000 0.400 CB 0.629 Z: 12 11.736 1.824 0.713 0.519 0.909 0.636 CB 1.223 9 residues pruned to eliminate duplicates Z: 8 6.994 1.515 0.516 0.654 0.857 0.571 CB 1.164 8 residues pruned to eliminate duplicates Z: 10 5.276 1.813 0.782 0.912 1.000 1.000 CB 0.385 10 residues pruned to eliminate duplicates Z: 7 4.821 1.706 0.074 0.767 0.833 0.833 CB 1.017 7 residues pruned to eliminate duplicates 6 1.504 1.391 -0.013 0.407 0.800 0.800 CB 0.675 ? Z: 8 6.974 1.357 0.417 0.848 0.857 0.857 O 1.186 Z: 6 2.443 1.390 0.197 0.345 1.000 0.400 CB 0.776 Z: 6 2.306 1.349 1.369 0.392 0.600 0.600 CB 0.603 Z: 10 10.677 1.649 0.506 0.785 0.889 0.667 CB 1.255 10 residues pruned to eliminate duplicates Z: 9 12.994 1.823 0.653 0.685 1.000 0.875 CB 1.286 11 residues pruned to eliminate duplicates Z: 11 10.025 1.784 0.559 0.509 0.800 0.600 N 1.412 11 residues pruned to eliminate duplicates 6 1.145 1.612 -0.091 0.372 0.800 0.400 CB 0.501 ? Z: 35 27.327 1.870 0.726 0.649 0.941 0.647 CB 1.343 28 residues pruned to eliminate duplicates Z: 7 9.291 1.737 0.134 0.820 1.000 0.667 CB 1.459 Z: 11 10.952 1.707 0.486 0.501 1.000 0.500 CB 1.365 8 residues pruned to eliminate duplicates Z: 25 15.242 1.796 0.443 0.514 0.833 0.583 CB 1.420 25 residues pruned to eliminate duplicates Z: 8 2.538 1.240 0.064 0.373 0.857 0.429 N 0.972 Z: 12 4.252 1.530 0.411 0.324 0.636 0.455 CB 1.132 12 residues pruned to eliminate duplicates Z: 17 8.344 1.773 0.404 0.474 0.875 0.625 CB 0.984 17 residues pruned to eliminate duplicates Z: 8 4.160 1.792 0.197 0.340 0.714 0.429 CB 1.222 Z: 6 2.896 1.468 -0.215 0.453 1.000 0.600 CB 1.180 6 residues pruned to eliminate duplicates Z: 12 13.154 1.656 0.566 0.843 1.000 0.909 CB 1.139 10 residues pruned to eliminate duplicates Z: 6 3.962 1.841 -0.018 0.415 1.000 0.600 CB 1.071 6 residues pruned to eliminate duplicates Z: 11 5.892 1.639 0.417 0.428 0.800 0.600 CB 1.080 7 residues pruned to eliminate duplicates 6 1.565 1.394 0.430 0.710 0.800 0.800 CB 0.363 ? Z: 8 5.225 1.893 0.168 0.329 1.000 0.429 CB 1.078 8 residues pruned to eliminate duplicates Z: 12 5.894 1.508 0.408 0.355 0.818 0.636 CB 1.197 Z: 9 4.964 1.763 0.203 0.269 0.875 0.625 CB 1.231 9 residues pruned to eliminate duplicates Z: 14 21.837 2.015 0.488 0.856 1.000 0.923 CB 1.489 14 residues pruned to eliminate duplicates Z: 15 8.805 1.659 0.686 0.437 0.929 0.429 CB 0.967 15 residues pruned to eliminate duplicates Z: 22 11.616 1.730 0.494 0.536 0.905 0.476 CB 1.046 23 residues pruned to eliminate duplicates Z: 11 10.954 1.689 0.358 0.823 1.000 0.600 CB 1.142 11 residues pruned to eliminate duplicates Z: 7 2.224 1.421 0.480 0.278 0.667 0.333 CB 0.833 Z: 6 2.367 1.417 0.339 0.606 0.800 0.600 CB 0.631 Z: 22 11.688 1.732 0.342 0.535 0.905 0.571 CB 1.172 22 residues pruned to eliminate duplicates Z: 19 6.540 1.535 0.478 0.329 0.722 0.444 CB 1.134 4 residues pruned to eliminate duplicates Z: 10 6.481 1.714 0.762 0.224 0.889 0.667 CB 1.110 10 residues pruned to eliminate duplicates Z: 11 2.399 1.490 0.244 0.315 0.700 0.200 CB 0.717 Z: 8 7.918 1.556 0.647 0.647 1.000 0.714 CB 1.018 Z: 12 12.967 1.675 0.765 0.736 0.909 0.636 CA 1.176 12 residues pruned to eliminate duplicates Z: 6 4.718 1.632 0.104 0.682 1.000 0.800 CB 0.991 Z: 8 3.661 1.399 1.049 0.263 0.714 0.286 N 0.886 Z: 25 14.325 1.660 0.713 0.476 0.917 0.542 CB 1.149 28 residues pruned to eliminate duplicates Z: 11 9.330 1.782 0.391 0.752 0.800 0.500 CB 1.189 11 residues pruned to eliminate duplicates Z: 8 5.144 1.436 0.449 0.524 1.000 0.286 CB 0.913 Z: 9 3.745 1.695 -0.059 0.507 0.875 0.500 CB 0.942 9 residues pruned to eliminate duplicates Z: 11 18.708 1.841 0.912 0.867 1.000 0.800 CB 1.229 11 residues pruned to eliminate duplicates Z: 7 6.072 1.681 0.374 0.610 1.000 0.667 CB 0.966 7 residues pruned to eliminate duplicates Z: 6 4.464 1.487 0.427 0.637 0.800 0.800 N 1.034 Z: 18 10.016 1.704 0.683 0.527 0.765 0.588 CB 1.078 18 residues pruned to eliminate duplicates Z: 7 2.643 1.283 0.827 0.629 0.667 0.500 CB 0.612 Z: 9 7.492 1.886 0.426 0.479 0.875 0.500 CB 1.150 9 residues pruned to eliminate duplicates Z: 19 8.428 1.697 0.483 0.497 0.889 0.611 CB 0.891 19 residues pruned to eliminate duplicates Z: 18 21.618 1.944 0.539 0.757 1.000 0.824 CB 1.395 18 residues pruned to eliminate duplicates Z: 18 9.359 1.698 0.622 0.423 0.765 0.529 CB 1.167 17 residues pruned to eliminate duplicates Z: 16 15.965 1.589 0.687 0.844 0.933 0.667 CB 1.226 16 residues pruned to eliminate duplicates Z: 6 4.116 1.639 0.550 0.458 1.000 0.800 CB 0.756 Z: 6 2.413 1.322 0.274 0.445 0.600 0.600 CB 1.130 Z: 7 4.313 1.472 0.192 0.576 1.000 0.667 CB 0.933 7 residues pruned to eliminate duplicates Z: 7 10.694 1.624 0.857 0.884 0.833 0.667 N 1.255 6 residues pruned to eliminate duplicates Z: 24 16.203 1.848 0.654 0.500 0.870 0.652 CB 1.271 22 residues pruned to eliminate duplicates Z: 21 12.821 1.803 0.437 0.524 0.950 0.750 CB 1.137 21 residues pruned to eliminate duplicates Z: 10 4.067 1.671 0.103 0.426 0.778 0.333 CB 1.021 Using tripeptides from previous cycle as seeds Z: 7 6.384 1.520 0.973 0.278 0.833 0.167 CA 1.340 7 residues pruned to eliminate duplicates Z: 13 8.117 1.840 0.461 0.416 0.833 0.417 CB 1.142 13 residues pruned to eliminate duplicates Z: 13 11.221 1.863 0.603 0.459 0.917 0.333 CB 1.233 13 residues pruned to eliminate duplicates Z: 12 10.847 1.906 0.562 0.427 0.818 0.455 CB 1.448 12 residues pruned to eliminate duplicates Z: 12 10.639 1.927 0.471 0.390 0.818 0.545 N 1.555 12 residues pruned to eliminate duplicates Z: 13 9.033 1.879 0.607 0.381 0.750 0.583 CB 1.307 13 residues pruned to eliminate duplicates Z: 6 5.330 1.706 0.824 0.459 0.800 0.400 CB 0.999 6 residues pruned to eliminate duplicates Z: 12 4.202 1.655 0.565 0.381 0.636 0.364 CB 0.872 6 1.769 1.341 0.297 0.289 0.800 0.600 CB 0.720 ? Z: 11 5.526 1.322 0.586 0.525 0.800 0.600 CB 1.017 6 1.138 1.168 1.015 0.280 0.800 0.400 N 0.347 ? Z: 6 5.910 1.787 0.676 0.695 0.800 0.400 CB 0.923 Z: 9 4.968 1.530 0.362 0.605 0.875 0.500 CB 0.872 6 residues pruned to eliminate duplicates Z: 9 4.071 1.489 0.172 0.628 0.875 0.625 CB 0.836 9 residues pruned to eliminate duplicates Z: 13 4.013 1.384 0.131 0.323 0.917 0.500 CB 0.981 9 residues pruned to eliminate duplicates Z: 20 22.592 1.972 0.375 0.813 0.947 0.789 CB 1.536 20 residues pruned to eliminate duplicates Z: 30 23.872 1.928 0.532 0.717 0.966 0.759 CB 1.278 30 residues pruned to eliminate duplicates Z: 15 15.590 1.966 0.706 0.623 0.857 0.643 CB 1.291 15 residues pruned to eliminate duplicates Z: 17 18.673 2.036 0.111 0.917 1.000 0.938 CB 1.456 17 residues pruned to eliminate duplicates Z: 29 27.012 2.003 0.507 0.765 0.964 0.821 CB 1.386 29 residues pruned to eliminate duplicates Z: 16 22.570 2.005 0.755 0.737 1.000 0.800 CB 1.338 16 residues pruned to eliminate duplicates Z: 30 28.864 1.970 0.613 0.739 1.000 0.759 CB 1.361 35 residues pruned to eliminate duplicates Z: 19 28.239 2.022 0.667 0.863 1.000 0.833 CB 1.449 19 residues pruned to eliminate duplicates Z: 30 28.851 1.966 0.701 0.709 0.966 0.759 CB 1.373 30 residues pruned to eliminate duplicates Z: 25 24.114 1.900 0.575 0.743 1.000 0.708 CB 1.323 25 residues pruned to eliminate duplicates Z: 26 24.064 1.944 0.698 0.745 0.920 0.800 CB 1.273 26 residues pruned to eliminate duplicates Z: 27 25.156 1.950 0.669 0.694 0.885 0.731 CB 1.435 27 residues pruned to eliminate duplicates Z: 25 23.431 1.898 0.642 0.714 0.958 0.792 CB 1.320 25 residues pruned to eliminate duplicates Z: 27 26.677 1.984 0.682 0.689 0.962 0.692 CB 1.371 27 residues pruned to eliminate duplicates Z: 25 27.796 1.974 0.717 0.744 0.958 0.667 CB 1.403 25 residues pruned to eliminate duplicates Z: 30 28.883 1.989 0.734 0.724 0.966 0.862 CB 1.316 36 residues pruned to eliminate duplicates Z: 19 24.818 2.008 0.638 0.871 1.000 0.944 CB 1.297 19 residues pruned to eliminate duplicates Z: 34 28.264 1.851 0.665 0.678 0.970 0.576 CB 1.398 34 residues pruned to eliminate duplicates Z: 20 24.760 1.998 0.706 0.780 1.000 0.737 CB 1.302 20 residues pruned to eliminate duplicates Z: 28 26.985 1.989 0.730 0.689 0.926 0.704 CB 1.371 28 residues pruned to eliminate duplicates Z: 28 25.592 1.983 0.668 0.657 0.926 0.667 CB 1.389 28 residues pruned to eliminate duplicates Z: 7 3.806 1.601 0.298 0.541 0.833 0.500 CB 0.862 7 residues pruned to eliminate duplicates Z: 30 24.251 1.974 0.622 0.651 0.931 0.724 CB 1.313 30 residues pruned to eliminate duplicates Z: 29 20.907 1.924 0.665 0.617 0.893 0.679 CB 1.237 29 residues pruned to eliminate duplicates Z: 41 20.170 1.859 0.529 0.609 0.875 0.675 CB 1.156 41 residues pruned to eliminate duplicates Z: 11 7.375 1.719 0.273 0.876 1.000 0.600 CB 0.774 11 residues pruned to eliminate duplicates Z: 10 7.867 1.795 0.497 0.723 0.889 0.778 CB 0.898 10 residues pruned to eliminate duplicates Z: 22 13.519 1.687 0.417 0.561 0.905 0.524 CB 1.285 33 residues pruned to eliminate duplicates Z: 10 6.945 1.770 0.197 0.842 1.000 0.778 CB 0.814 Z: 14 8.974 1.606 0.435 0.831 0.923 0.615 CB 0.879 14 residues pruned to eliminate duplicates Z: 11 9.717 1.734 0.477 0.839 0.900 0.600 CB 0.995 11 residues pruned to eliminate duplicates Z: 14 12.682 1.719 0.515 0.877 0.923 0.846 CB 1.063 14 residues pruned to eliminate duplicates Z: 7 11.952 2.026 0.798 0.867 1.000 1.000 CB 0.980 7 residues pruned to eliminate duplicates Z: 10 8.039 1.852 0.745 0.491 0.889 0.444 CB 0.942 10 residues pruned to eliminate duplicates Z: 20 16.906 1.971 0.664 0.618 0.947 0.684 CB 1.116 21 residues pruned to eliminate duplicates Z: 12 8.922 1.913 0.459 0.832 0.909 0.727 CB 0.796 12 residues pruned to eliminate duplicates Z: 23 11.254 1.877 0.535 0.561 0.773 0.500 CB 1.016 23 residues pruned to eliminate duplicates Z: 25 13.995 1.871 0.772 0.548 0.750 0.625 CB 1.096 25 residues pruned to eliminate duplicates Z: 13 15.469 1.904 0.840 0.853 0.917 0.833 CB 1.028 13 residues pruned to eliminate duplicates Z: 21 8.421 1.867 0.517 0.375 0.700 0.400 CB 1.086 21 residues pruned to eliminate duplicates Z: 20 14.464 1.928 0.648 0.601 0.895 0.579 CB 1.061 20 residues pruned to eliminate duplicates Z: 22 13.688 1.901 0.610 0.580 0.905 0.524 CB 0.998 22 residues pruned to eliminate duplicates Z: 22 16.708 1.940 0.793 0.641 0.905 0.667 CB 1.015 22 residues pruned to eliminate duplicates Z: 20 15.879 2.005 0.627 0.599 0.895 0.737 CB 1.135 20 residues pruned to eliminate duplicates Z: 7 6.853 1.364 0.532 0.806 1.000 0.667 CB 1.026 7 residues pruned to eliminate duplicates Z: 21 14.527 1.984 0.491 0.639 0.900 0.750 CB 1.071 21 residues pruned to eliminate duplicates Z: 14 9.681 1.883 0.302 0.574 0.923 0.692 CB 1.105 14 residues pruned to eliminate duplicates Z: 25 23.158 1.975 0.637 0.589 0.958 0.750 CB 1.401 25 residues pruned to eliminate duplicates Z: 25 18.827 1.927 0.788 0.577 0.792 0.500 CB 1.308 25 residues pruned to eliminate duplicates Z: 16 25.047 1.945 0.871 0.857 1.000 0.667 CB 1.310 16 residues pruned to eliminate duplicates Z: 24 27.865 1.974 0.789 0.592 1.000 0.652 CB 1.507 26 residues pruned to eliminate duplicates Z: 15 31.045 1.965 1.143 0.900 1.000 0.857 CB 1.407 15 residues pruned to eliminate duplicates Z: 14 25.970 2.039 1.001 0.882 1.000 0.846 CB 1.277 14 residues pruned to eliminate duplicates Z: 15 19.025 1.964 0.860 0.727 0.929 0.643 CB 1.222 15 residues pruned to eliminate duplicates Z: 9 18.888 2.145 0.686 0.878 1.000 0.875 CB 1.339 9 residues pruned to eliminate duplicates Z: 6 4.091 1.215 0.616 0.805 0.800 0.600 O 0.893 6 residues pruned to eliminate duplicates Z: 25 9.799 1.688 0.497 0.346 0.792 0.500 CB 1.182 25 residues pruned to eliminate duplicates Z: 15 10.166 1.844 0.452 0.407 0.929 0.357 CB 1.205 15 residues pruned to eliminate duplicates Z: 6 3.875 1.674 0.583 0.464 0.600 0.400 CB 1.131 6 residues pruned to eliminate duplicates Z: 15 25.115 2.039 0.902 0.885 0.929 0.714 CB 1.346 15 residues pruned to eliminate duplicates Z: 7 2.694 1.520 0.142 0.313 0.833 0.500 N 0.935 7 residues pruned to eliminate duplicates Z: 7 3.212 1.741 0.308 0.417 0.833 0.667 CB 0.753 7 residues pruned to eliminate duplicates Z: 25 10.756 1.773 0.491 0.428 0.750 0.542 CB 1.194 25 residues pruned to eliminate duplicates Z: 30 12.452 1.812 0.558 0.335 0.793 0.448 CB 1.237 30 residues pruned to eliminate duplicates Z: 14 8.360 1.796 0.213 0.512 0.923 0.615 CB 1.140 14 residues pruned to eliminate duplicates Z: 12 13.409 1.813 0.234 0.803 1.000 0.636 CB 1.387 12 residues pruned to eliminate duplicates Z: 13 7.226 1.810 0.300 0.613 0.667 0.333 CB 1.194 13 residues pruned to eliminate duplicates Z: 16 8.466 1.715 0.213 0.627 0.800 0.667 CB 1.165 16 residues pruned to eliminate duplicates Z: 16 9.959 1.683 0.299 0.668 0.800 0.533 CB 1.259 16 residues pruned to eliminate duplicates Z: 13 8.657 1.647 0.364 0.691 0.833 0.500 CB 1.121 13 residues pruned to eliminate duplicates Z: 13 11.148 1.771 0.142 0.813 1.000 0.667 CB 1.212 13 residues pruned to eliminate duplicates Z: 9 11.392 1.785 0.408 0.816 0.875 0.500 CB 1.391 9 residues pruned to eliminate duplicates Z: 10 8.996 1.665 0.343 0.744 1.000 0.778 CB 1.079 10 residues pruned to eliminate duplicates Z: 14 10.169 1.731 0.248 0.730 0.923 0.615 CB 1.149 14 residues pruned to eliminate duplicates Z: 11 8.177 1.749 0.274 0.737 0.900 0.800 CB 1.042 11 residues pruned to eliminate duplicates Z: 8 9.514 1.822 0.301 0.788 0.857 0.857 CB 1.373 8 residues pruned to eliminate duplicates Z: 18 9.329 1.728 0.407 0.488 0.706 0.471 CB 1.335 13 residues pruned to eliminate duplicates Z: 9 12.123 1.868 0.453 0.728 0.875 0.500 N 1.470 14 residues pruned to eliminate duplicates Z: 10 17.118 1.859 0.865 0.798 1.000 0.556 CA 1.268 11 residues pruned to eliminate duplicates Z: 10 17.404 1.879 0.672 0.816 0.889 0.556 CA 1.580 10 residues pruned to eliminate duplicates Z: 10 16.888 1.899 0.893 0.795 0.778 0.556 CA 1.555 10 residues pruned to eliminate duplicates Z: 10 14.133 1.856 0.908 0.656 0.889 0.667 CB 1.294 10 residues pruned to eliminate duplicates Z: 17 17.406 1.798 0.793 0.632 0.938 0.562 CB 1.272 17 residues pruned to eliminate duplicates Z: 10 20.618 1.794 0.996 0.852 1.000 0.667 N 1.420 10 residues pruned to eliminate duplicates Z: 13 12.622 1.825 1.100 0.603 0.750 0.333 CB 1.149 13 residues pruned to eliminate duplicates Z: 22 12.723 1.735 0.418 0.523 0.905 0.619 CB 1.218 33 residues pruned to eliminate duplicates Z: 18 12.247 1.770 0.436 0.586 0.941 0.588 CB 1.143 18 residues pruned to eliminate duplicates Z: 16 10.067 1.770 0.385 0.613 0.933 0.667 CB 1.021 16 residues pruned to eliminate duplicates Z: 40 16.585 1.786 0.422 0.596 0.949 0.513 CB 1.006 40 residues pruned to eliminate duplicates Z: 15 8.670 1.814 0.467 0.620 0.786 0.643 CB 0.990 15 residues pruned to eliminate duplicates Z: 15 10.890 1.785 0.300 0.678 1.000 0.500 CB 1.065 15 residues pruned to eliminate duplicates Z: 15 10.412 1.781 0.248 0.638 1.000 0.500 CB 1.099 15 residues pruned to eliminate duplicates Z: 16 12.703 1.796 0.516 0.608 0.933 0.533 CB 1.166 16 residues pruned to eliminate duplicates Z: 15 10.618 1.751 0.582 0.655 0.929 0.571 CB 0.955 15 residues pruned to eliminate duplicates Z: 34 17.520 1.801 0.531 0.643 0.879 0.545 CB 1.101 34 residues pruned to eliminate duplicates Z: 30 16.785 1.847 0.390 0.635 0.931 0.621 CB 1.148 30 residues pruned to eliminate duplicates Z: 14 7.710 1.553 0.515 0.413 0.923 0.615 N 1.078 7 residues pruned to eliminate duplicates Z: 12 12.407 1.657 0.380 0.877 0.909 0.818 N 1.306 22 residues pruned to eliminate duplicates Z: 12 13.436 1.657 0.468 0.865 0.909 0.727 N 1.342 12 residues pruned to eliminate duplicates Z: 16 11.149 1.660 0.480 0.598 1.000 0.667 CB 1.068 17 residues pruned to eliminate duplicates Z: 13 13.897 1.604 0.370 0.865 1.000 0.583 CB 1.338 13 residues pruned to eliminate duplicates Z: 6 3.273 1.457 0.125 0.557 0.800 0.200 CB 1.057 6 residues pruned to eliminate duplicates Z: 12 12.849 1.555 0.475 0.807 1.000 0.727 N 1.291 12 residues pruned to eliminate duplicates Z: 8 9.171 1.671 0.958 0.739 1.000 0.857 CB 0.855 8 residues pruned to eliminate duplicates Z: 6 2.748 1.123 0.784 0.409 0.800 0.400 N 0.844 6 residues pruned to eliminate duplicates Z: 9 8.980 1.700 0.488 0.580 0.875 0.625 O 1.328 9 residues pruned to eliminate duplicates Z: 11 10.081 1.718 0.515 0.491 0.900 0.500 CB 1.374 11 residues pruned to eliminate duplicates Z: 9 8.020 1.759 0.463 0.473 0.750 0.375 O 1.510 9 residues pruned to eliminate duplicates Z: 10 11.245 1.687 0.568 0.552 1.000 0.444 N 1.348 8 residues pruned to eliminate duplicates Z: 7 3.196 1.476 0.216 0.388 0.833 0.667 CB 0.982 8 residues pruned to eliminate duplicates Z: 15 11.600 1.538 0.884 0.827 0.857 0.643 CB 0.941 15 residues pruned to eliminate duplicates Z: 17 9.036 1.584 0.625 0.601 0.750 0.500 CB 1.063 17 residues pruned to eliminate duplicates Z: 15 9.896 1.545 0.563 0.676 0.857 0.429 CB 1.087 15 residues pruned to eliminate duplicates Z: 13 13.196 1.681 0.488 0.770 1.000 0.667 CB 1.199 13 residues pruned to eliminate duplicates Z: 8 11.364 1.854 0.440 0.868 1.000 0.857 CB 1.176 8 residues pruned to eliminate duplicates Z: 12 12.784 1.741 0.606 0.574 1.000 0.727 CB 1.285 12 residues pruned to eliminate duplicates Z: 7 8.928 1.909 0.364 0.731 1.000 0.667 CB 1.137 7 residues pruned to eliminate duplicates Z: 14 9.674 1.697 0.557 0.536 0.769 0.538 CB 1.274 14 residues pruned to eliminate duplicates Z: 12 9.480 1.781 0.456 0.554 0.909 0.545 CB 1.150 12 residues pruned to eliminate duplicates Z: 12 10.091 1.739 0.605 0.617 0.909 0.727 CB 1.074 12 residues pruned to eliminate duplicates Z: 22 8.645 1.622 0.595 0.505 0.857 0.571 CB 0.847 22 residues pruned to eliminate duplicates Z: 14 13.345 1.635 0.840 0.739 0.846 0.615 CB 1.173 14 residues pruned to eliminate duplicates 7 1.611 1.408 0.416 0.394 0.833 0.167 CB 0.443 ? Z: 12 3.009 1.222 0.324 0.287 0.909 0.091 CB 0.784 Z: 6 2.150 1.400 0.194 0.370 0.800 0.400 N 0.826 6 residues pruned to eliminate duplicates Z: 17 11.133 1.814 0.657 0.389 0.812 0.375 CB 1.283 15 residues pruned to eliminate duplicates Z: 6 3.405 1.314 0.720 0.401 1.000 0.400 CB 0.748 6 residues pruned to eliminate duplicates Z: 33 14.022 1.852 0.561 0.346 0.781 0.500 CB 1.296 39 residues pruned to eliminate duplicates Z: 6 2.711 1.536 0.802 0.212 0.800 0.400 N 0.769 Z: 10 10.503 1.666 0.301 0.849 1.000 0.889 CB 1.197 10 residues pruned to eliminate duplicates Z: 9 12.449 1.766 0.348 0.890 1.000 0.875 CB 1.330 9 residues pruned to eliminate duplicates Z: 12 7.670 1.610 0.346 0.467 0.818 0.455 CB 1.350 12 residues pruned to eliminate duplicates Z: 14 9.763 1.539 0.566 0.633 0.923 0.538 CB 1.075 14 residues pruned to eliminate duplicates Z: 10 9.886 1.689 0.646 0.687 0.889 0.222 CB 1.124 10 residues pruned to eliminate duplicates Z: 24 15.143 1.628 0.616 0.493 0.913 0.609 CB 1.324 29 residues pruned to eliminate duplicates Z: 15 9.980 1.507 0.565 0.792 0.929 0.500 N 0.942 15 residues pruned to eliminate duplicates Z: 27 16.788 1.654 0.471 0.555 0.923 0.615 CB 1.389 24 residues pruned to eliminate duplicates Z: 17 17.160 1.616 0.711 0.857 1.000 0.812 N 1.143 17 residues pruned to eliminate duplicates Z: 25 20.343 1.677 0.686 0.637 0.958 0.708 N 1.348 29 residues pruned to eliminate duplicates Z: 17 17.948 1.649 0.628 0.899 1.000 1.000 N 1.194 16 residues pruned to eliminate duplicates Z: 16 15.658 1.614 0.641 0.873 0.933 0.667 N 1.191 16 residues pruned to eliminate duplicates Z: 27 14.288 1.633 0.559 0.500 0.923 0.577 CB 1.193 27 residues pruned to eliminate duplicates Z: 19 15.130 1.610 0.783 0.670 0.889 0.444 N 1.194 19 residues pruned to eliminate duplicates Z: 11 5.799 1.553 0.358 0.470 0.800 0.400 N 1.120 11 residues pruned to eliminate duplicates Z: 15 6.386 1.670 0.278 0.310 0.786 0.571 N 1.256 21 residues pruned to eliminate duplicates Z: 18 16.688 1.898 0.357 0.873 0.941 0.765 CB 1.217 18 residues pruned to eliminate duplicates Z: 18 19.182 1.936 0.533 0.769 1.000 0.765 CB 1.236 18 residues pruned to eliminate duplicates Z: 20 17.193 1.898 0.417 0.710 1.000 0.737 CB 1.213 20 residues pruned to eliminate duplicates Z: 21 15.905 1.879 0.468 0.688 0.900 0.750 CB 1.207 21 residues pruned to eliminate duplicates Z: 17 20.250 1.943 0.663 0.740 1.000 0.750 CB 1.263 17 residues pruned to eliminate duplicates Z: 18 20.865 1.909 0.624 0.847 1.000 0.824 CB 1.212 18 residues pruned to eliminate duplicates Z: 20 19.305 1.895 0.540 0.717 1.000 0.632 CB 1.247 20 residues pruned to eliminate duplicates Z: 23 17.862 1.869 0.488 0.662 0.955 0.727 CB 1.234 23 residues pruned to eliminate duplicates Z: 39 19.802 1.829 0.471 0.665 0.921 0.579 CB 1.113 39 residues pruned to eliminate duplicates Z: 19 22.372 1.972 0.628 0.798 1.000 0.833 CB 1.265 19 residues pruned to eliminate duplicates Z: 21 18.923 1.928 0.671 0.727 0.850 0.650 CB 1.260 21 residues pruned to eliminate duplicates Z: 18 19.345 2.000 0.522 0.794 0.941 0.824 CB 1.266 18 residues pruned to eliminate duplicates Z: 21 19.487 1.913 0.635 0.722 0.900 0.700 CB 1.267 21 residues pruned to eliminate duplicates Z: 18 21.461 2.008 0.748 0.802 0.941 0.529 CB 1.210 18 residues pruned to eliminate duplicates Z: 14 12.218 1.743 0.665 0.459 0.923 0.077 N 1.318 14 residues pruned to eliminate duplicates Z: 9 5.180 1.608 0.127 0.508 1.000 0.250 CB 1.002 Z: 6 7.052 1.755 0.870 0.782 1.000 0.400 CB 0.750 Z: 14 17.175 1.804 0.744 0.802 0.923 0.615 CB 1.259 27 residues pruned to eliminate duplicates Z: 6 4.410 1.866 0.354 0.700 0.800 0.600 CB 0.813 Z: 6 5.046 1.600 0.864 0.562 0.600 0.200 O 1.187 Z: 14 11.650 1.814 0.428 0.848 0.923 0.615 CB 1.002 14 residues pruned to eliminate duplicates Z: 13 14.723 1.847 0.598 0.867 0.917 0.750 CB 1.149 13 residues pruned to eliminate duplicates Z: 14 13.645 1.793 0.473 0.813 1.000 0.692 CB 1.091 14 residues pruned to eliminate duplicates Z: 14 10.540 1.815 0.434 0.848 0.846 0.692 CB 0.984 14 residues pruned to eliminate duplicates Z: 12 11.316 1.803 0.532 0.705 0.909 0.545 CB 1.128 18 residues pruned to eliminate duplicates Z: 12 10.303 1.803 0.499 0.619 0.818 0.636 CB 1.255 12 residues pruned to eliminate duplicates Z: 11 13.408 1.816 0.843 0.780 0.800 0.600 CB 1.237 11 residues pruned to eliminate duplicates Z: 8 5.727 1.597 0.536 0.662 0.857 0.714 CB 0.886 8 residues pruned to eliminate duplicates Z: 17 17.222 1.790 0.620 0.662 0.938 0.625 CA 1.363 17 residues pruned to eliminate duplicates Z: 17 19.702 1.893 0.504 0.764 0.938 0.625 CB 1.459 17 residues pruned to eliminate duplicates Z: 19 19.637 1.846 0.597 0.648 0.944 0.667 CB 1.448 19 residues pruned to eliminate duplicates Z: 18 18.672 1.877 0.645 0.720 0.882 0.588 CB 1.363 18 residues pruned to eliminate duplicates Z: 19 17.757 1.863 0.644 0.656 0.889 0.611 CB 1.329 19 residues pruned to eliminate duplicates Z: 20 18.037 1.807 0.796 0.609 0.947 0.474 CB 1.214 20 residues pruned to eliminate duplicates Z: 18 20.827 1.861 0.687 0.721 1.000 0.647 CB 1.318 18 residues pruned to eliminate duplicates Z: 17 16.374 1.850 0.602 0.817 0.875 0.500 CB 1.199 17 residues pruned to eliminate duplicates Z: 19 17.367 1.826 0.872 0.631 0.889 0.333 CB 1.191 19 residues pruned to eliminate duplicates Z: 14 15.927 1.851 0.719 0.629 0.923 0.615 CB 1.333 14 residues pruned to eliminate duplicates Z: 17 12.558 1.784 0.650 0.512 0.938 0.625 CB 1.125 17 residues pruned to eliminate duplicates Z: 15 11.812 1.826 0.621 0.574 0.786 0.643 CB 1.264 15 residues pruned to eliminate duplicates Z: 23 12.944 1.768 0.395 0.502 0.818 0.636 CB 1.365 23 residues pruned to eliminate duplicates Z: 23 13.495 1.702 0.640 0.424 0.864 0.591 CB 1.291 23 residues pruned to eliminate duplicates Z: 25 7.172 1.527 0.642 0.280 0.708 0.333 N 1.057 25 residues pruned to eliminate duplicates Z: 22 14.064 1.774 0.510 0.662 0.905 0.571 CB 1.090 22 residues pruned to eliminate duplicates Z: 7 3.027 1.464 0.631 0.532 0.667 0.667 CB 0.752 Z: 6 3.175 1.534 0.523 0.253 0.600 0.400 N 1.346 6 residues pruned to eliminate duplicates Z: 13 8.424 1.766 0.433 0.482 0.917 0.667 CB 1.067 13 residues pruned to eliminate duplicates Z: 14 8.942 1.729 0.520 0.535 0.846 0.692 CB 1.079 14 residues pruned to eliminate duplicates Z: 15 8.711 1.711 0.438 0.586 0.929 0.714 CB 0.938 15 residues pruned to eliminate duplicates Z: 20 8.983 1.726 0.581 0.368 0.789 0.368 CB 1.103 20 residues pruned to eliminate duplicates Z: 20 9.521 1.788 0.659 0.454 0.684 0.526 CB 1.128 20 residues pruned to eliminate duplicates Z: 9 10.511 1.846 0.433 0.525 0.875 0.375 CB 1.566 9 residues pruned to eliminate duplicates Z: 24 10.359 1.729 0.260 0.470 0.870 0.522 CB 1.175 23 residues pruned to eliminate duplicates Z: 7 6.525 1.473 0.582 0.424 1.000 0.333 N 1.237 7 residues pruned to eliminate duplicates Z: 24 15.110 1.803 0.548 0.528 0.957 0.739 CB 1.148 24 residues pruned to eliminate duplicates Z: 10 10.033 1.567 0.744 0.826 0.889 0.889 CB 1.039 8 residues pruned to eliminate duplicates Z: 10 10.136 1.749 0.658 0.778 0.778 0.667 CB 1.173 12 residues pruned to eliminate duplicates Z: 11 13.710 1.838 0.378 0.843 1.000 0.900 CB 1.275 11 residues pruned to eliminate duplicates Z: 9 7.065 1.639 0.525 0.638 0.875 0.750 CB 1.004 9 residues pruned to eliminate duplicates Z: 10 11.137 1.898 0.502 0.821 0.889 0.667 CB 1.109 10 residues pruned to eliminate duplicates Z: 11 5.412 1.533 0.688 0.400 0.700 0.500 CB 1.049 11 residues pruned to eliminate duplicates Z: 12 14.678 1.849 0.761 0.773 0.909 0.636 CB 1.174 11 residues pruned to eliminate duplicates Z: 18 13.071 1.596 0.832 0.803 0.882 0.471 CB 0.943 18 residues pruned to eliminate duplicates Z: 13 16.540 1.728 0.857 0.867 0.917 0.667 CB 1.187 13 residues pruned to eliminate duplicates Z: 12 9.362 1.586 0.398 0.540 0.909 0.545 CA 1.347 8 residues pruned to eliminate duplicates Z: 22 14.737 1.453 0.570 0.772 1.000 0.762 CB 1.109 18 residues pruned to eliminate duplicates Z: 9 11.791 1.864 0.789 0.775 1.000 0.625 CB 0.981 9 residues pruned to eliminate duplicates Z: 9 10.601 1.780 0.771 0.760 0.875 0.375 CB 1.078 9 residues pruned to eliminate duplicates Z: 8 15.850 1.973 1.153 0.856 0.857 0.571 CB 1.213 8 residues pruned to eliminate duplicates Z: 12 15.060 1.853 0.702 0.852 1.000 0.909 CB 1.065 12 residues pruned to eliminate duplicates Z: 7 12.014 1.959 0.825 0.831 1.000 0.500 CB 1.030 7 residues pruned to eliminate duplicates Z: 12 15.826 1.836 1.080 0.834 0.818 0.545 CB 1.145 12 residues pruned to eliminate duplicates Z: 11 14.856 1.915 0.819 0.848 0.900 0.600 CB 1.111 11 residues pruned to eliminate duplicates Z: 12 14.866 1.850 0.853 0.726 0.909 0.545 CB 1.173 12 residues pruned to eliminate duplicates Z: 12 19.209 1.889 1.048 0.821 1.000 0.455 CB 1.133 13 residues pruned to eliminate duplicates Z: 12 22.379 1.729 1.301 0.910 1.000 0.727 CB 1.203 12 residues pruned to eliminate duplicates Z: 20 13.704 1.757 0.736 0.642 0.789 0.316 CB 1.144 20 residues pruned to eliminate duplicates Z: 6 2.114 1.690 -0.308 0.573 1.000 0.800 CB 0.753 460 residues left after pruning, divided into chains as follows: A: 9 B: 15 C: 7 D: 23 E: 12 F: 24 G: 30 H: 20 I: 27 J: 25 K: 14 L: 13 M: 13 N: 21 O: 33 P: 13 Q: 36 R: 7 S: 16 T: 20 U: 12 V: 10 W: 13 X: 30 Y: 17 CC for partial structure against native data = 32.66 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.499, Connect. = 0.728 for dens.mod. cycle 1 = 0.300, Contrast = 0.582, Connect. = 0.752 for dens.mod. cycle 2 = 0.300, Contrast = 0.687, Connect. = 0.779 for dens.mod. cycle 3 = 0.300, Contrast = 0.699, Connect. = 0.781 for dens.mod. cycle 4 = 0.300, Contrast = 0.710, Connect. = 0.784 for dens.mod. cycle 5 = 0.300, Contrast = 0.711, Connect. = 0.785 for dens.mod. cycle 6 = 0.300, Contrast = 0.714, Connect. = 0.787 for dens.mod. cycle 7 = 0.300, Contrast = 0.714, Connect. = 0.788 for dens.mod. cycle 8 = 0.300, Contrast = 0.714, Connect. = 0.789 for dens.mod. cycle 9 = 0.300, Contrast = 0.713, Connect. = 0.790 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2369 peaks > 0.5 sigma used to seed fragment search Space for about 918 unique residues taking solvent into account 560 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 33.691 2.047 0.856 0.893 1.000 0.857 N 1.701 B: 15 33.462 2.072 0.743 0.906 1.000 0.857 CB 1.762 15 residues pruned to eliminate duplicates C: 12 16.770 1.846 0.462 0.927 1.000 0.909 CB 1.313 D: 13 14.102 1.954 0.411 0.920 1.000 1.000 CB 1.040 E: 19 23.824 1.949 0.426 0.889 1.000 0.944 CB 1.456 F: 13 14.010 1.985 0.616 0.553 0.917 0.750 CB 1.306 G: 15 24.853 2.055 0.430 0.895 0.929 0.929 CB 1.745 15 residues pruned to eliminate duplicates H: 17 14.965 1.741 0.691 0.552 0.938 0.438 CB 1.288 I: 8 6.701 1.737 0.732 0.346 0.714 0.571 O 1.394 J: 13 15.457 1.941 0.528 0.888 1.000 0.833 CB 1.084 13 residues pruned to eliminate duplicates K: 15 27.827 2.050 0.659 0.849 0.929 0.786 CB 1.747 15 residues pruned to eliminate duplicates L: 23 14.970 1.877 0.530 0.548 0.818 0.591 CB 1.296 23 residues pruned to eliminate duplicates M: 10 13.124 1.948 0.235 0.850 0.889 0.667 CB 1.516 10 residues pruned to eliminate duplicates N: 11 20.350 1.876 0.819 0.849 1.000 0.700 CB 1.397 12 residues pruned to eliminate duplicates O: 17 21.012 1.993 0.320 0.929 1.000 0.938 CB 1.397 17 residues pruned to eliminate duplicates P: 24 13.365 1.792 0.537 0.603 0.913 0.739 CB 1.005 Q: 9 13.080 1.896 0.300 0.803 1.000 0.875 CA 1.440 9 residues pruned to eliminate duplicates R: 11 17.007 1.892 0.613 0.882 1.000 0.900 CB 1.275 S: 17 8.064 1.777 0.461 0.378 0.812 0.375 CB 1.089 16 residues pruned to eliminate duplicates T: 17 18.887 1.884 0.902 0.922 0.875 0.688 CB 1.059 U: 10 17.852 2.056 0.835 0.684 1.000 0.889 CB 1.332 13 residues pruned to eliminate duplicates V: 19 16.115 1.825 0.674 0.922 1.000 0.667 CB 0.874 19 residues pruned to eliminate duplicates W: 14 11.879 1.882 0.673 0.458 0.846 0.462 CB 1.291 X: 21 10.680 1.811 0.371 0.643 0.800 0.700 CB 1.052 Y: 52 28.013 1.930 0.657 0.706 0.863 0.686 CB 1.178 40 residues pruned to eliminate duplicates Z: 20 25.533 1.847 0.711 0.917 0.947 0.789 CB 1.381 20 residues pruned to eliminate duplicates Z: 25 32.059 2.014 0.765 0.677 0.958 0.708 CB 1.632 15 residues pruned to eliminate duplicates Z: 13 16.764 1.977 0.494 0.842 1.000 0.917 CB 1.221 13 residues pruned to eliminate duplicates Z: 15 12.633 1.835 0.437 0.831 0.929 0.786 CB 1.037 15 residues pruned to eliminate duplicates Z: 12 12.007 1.890 0.122 0.805 1.000 0.636 CB 1.309 Z: 14 21.896 1.884 0.703 0.903 0.923 0.846 CB 1.462 Z: 13 15.156 1.907 0.736 0.642 0.917 0.583 CB 1.262 Z: 12 18.182 2.051 0.649 0.895 1.000 0.909 CB 1.162 12 residues pruned to eliminate duplicates Z: 15 19.941 1.863 0.788 0.913 1.000 0.786 CB 1.132 Z: 15 32.234 2.030 0.915 0.909 1.000 0.857 CB 1.573 15 residues pruned to eliminate duplicates Z: 16 27.543 1.983 0.811 0.883 0.933 0.933 CB 1.534 16 residues pruned to eliminate duplicates Z: 7 8.710 1.834 0.630 0.684 0.833 0.667 CB 1.205 Z: 12 15.021 1.924 0.882 0.684 0.818 0.636 CB 1.290 10 residues pruned to eliminate duplicates Z: 14 11.117 1.794 0.751 0.602 0.846 0.769 CB 1.053 Z: 9 4.800 1.536 0.675 0.365 0.625 0.375 O 1.220 9 residues pruned to eliminate duplicates Z: 12 7.327 1.690 0.547 0.424 0.909 0.545 CB 1.006 12 residues pruned to eliminate duplicates Z: 10 14.130 1.907 0.251 0.864 1.000 0.778 N 1.448 10 residues pruned to eliminate duplicates Z: 10 18.810 2.008 0.510 0.901 1.000 0.889 CB 1.477 Z: 15 9.965 1.768 0.549 0.826 0.857 0.429 CB 0.855 15 residues pruned to eliminate duplicates Z: 10 11.064 2.002 0.585 0.463 0.889 0.556 CB 1.357 Z: 26 24.889 1.992 0.672 0.633 0.880 0.600 CB 1.500 26 residues pruned to eliminate duplicates Z: 14 13.081 1.681 0.419 0.859 0.923 0.692 CB 1.212 Z: 15 10.795 1.950 0.506 0.341 0.786 0.429 CB 1.486 13 residues pruned to eliminate duplicates Z: 13 9.373 1.899 0.450 0.332 0.917 0.500 CB 1.288 13 residues pruned to eliminate duplicates Z: 8 8.231 1.967 0.307 0.523 0.857 0.571 CB 1.380 Z: 7 11.249 2.085 0.251 0.766 0.833 0.667 N 1.670 7 residues pruned to eliminate duplicates Z: 12 19.324 2.149 0.246 0.932 1.000 1.000 CB 1.519 12 residues pruned to eliminate duplicates Z: 10 7.094 1.622 0.296 0.557 0.889 0.556 CB 1.197 Z: 12 15.215 1.844 0.610 0.847 0.909 0.636 CB 1.261 12 residues pruned to eliminate duplicates Z: 12 12.246 1.928 0.693 0.607 0.818 0.727 CB 1.249 Z: 14 15.026 1.883 0.888 0.600 0.769 0.615 CB 1.385 12 residues pruned to eliminate duplicates Z: 11 16.287 1.902 0.636 0.849 1.000 0.800 CB 1.227 11 residues pruned to eliminate duplicates Z: 19 25.893 1.959 0.719 0.908 1.000 0.889 CB 1.287 19 residues pruned to eliminate duplicates Z: 12 18.450 1.819 0.467 0.868 1.000 0.909 CA 1.524 10 residues pruned to eliminate duplicates Z: 19 19.859 1.956 0.295 0.869 1.000 0.778 CB 1.350 19 residues pruned to eliminate duplicates Z: 15 10.320 1.886 0.437 0.469 0.929 0.500 CB 1.131 15 residues pruned to eliminate duplicates Z: 15 34.629 2.075 0.809 0.897 1.000 0.786 CB 1.766 15 residues pruned to eliminate duplicates Z: 14 19.693 2.146 0.261 0.804 1.000 0.846 CB 1.548 14 residues pruned to eliminate duplicates Z: 14 24.795 2.069 0.288 0.913 1.000 0.846 CB 1.826 14 residues pruned to eliminate duplicates Z: 8 7.455 1.967 0.427 0.564 0.857 0.429 CB 1.101 8 residues pruned to eliminate duplicates Z: 12 6.790 1.775 0.263 0.432 0.818 0.545 CB 1.197 Z: 15 15.104 1.907 0.369 0.859 0.857 0.714 CB 1.328 15 residues pruned to eliminate duplicates Z: 16 23.436 2.046 0.387 0.903 1.000 0.933 CB 1.521 16 residues pruned to eliminate duplicates Z: 28 10.204 1.730 0.361 0.373 0.815 0.519 CB 1.173 34 residues pruned to eliminate duplicates Z: 12 11.532 1.749 0.530 0.636 1.000 0.636 CB 1.144 Z: 39 23.689 1.905 0.645 0.624 0.868 0.579 CB 1.256 39 residues pruned to eliminate duplicates Z: 11 3.601 1.771 -0.007 0.410 0.600 0.400 CB 1.186 11 residues pruned to eliminate duplicates Z: 20 17.153 1.986 0.608 0.520 0.895 0.632 CB 1.351 19 residues pruned to eliminate duplicates Z: 16 29.629 2.013 0.708 0.903 1.000 0.933 CB 1.586 16 residues pruned to eliminate duplicates Z: 19 14.566 1.788 0.618 0.916 1.000 0.778 CB 0.838 18 residues pruned to eliminate duplicates Z: 28 13.824 1.753 0.444 0.562 0.852 0.667 CB 1.162 31 residues pruned to eliminate duplicates Z: 13 15.341 1.854 0.883 0.888 1.000 0.833 CB 0.914 13 residues pruned to eliminate duplicates Z: 15 17.326 1.729 0.608 0.924 1.000 0.929 CB 1.170 12 residues pruned to eliminate duplicates Z: 13 8.599 1.681 0.290 0.816 1.000 0.667 CB 0.870 12 residues pruned to eliminate duplicates Z: 15 26.373 2.055 0.610 0.835 0.929 0.786 CB 1.719 15 residues pruned to eliminate duplicates Z: 17 27.017 1.944 1.011 0.903 0.938 0.812 CB 1.313 17 residues pruned to eliminate duplicates Z: 11 10.147 1.855 0.386 0.410 0.900 0.700 CB 1.524 Z: 25 10.439 1.803 0.319 0.411 0.917 0.542 CB 1.072 14 residues pruned to eliminate duplicates Z: 11 19.569 1.880 0.657 0.831 1.000 0.500 CB 1.493 11 residues pruned to eliminate duplicates Z: 19 25.330 1.928 0.655 0.885 1.000 0.722 CB 1.351 19 residues pruned to eliminate duplicates Z: 11 21.119 1.950 0.709 0.857 1.000 0.700 CB 1.477 10 residues pruned to eliminate duplicates Z: 11 7.213 1.772 0.536 0.422 0.900 0.600 CB 1.010 Z: 15 17.989 1.848 0.649 0.868 1.000 0.786 CB 1.153 14 residues pruned to eliminate duplicates Z: 8 6.211 1.778 0.346 0.825 1.000 0.714 CB 0.740 Z: 11 7.692 1.644 0.434 0.409 0.900 0.600 CB 1.261 11 residues pruned to eliminate duplicates Z: 13 19.151 1.867 0.548 0.830 1.000 0.667 CB 1.438 13 residues pruned to eliminate duplicates Z: 9 11.432 1.826 0.586 0.615 1.000 0.625 CB 1.251 7 residues pruned to eliminate duplicates Z: 13 14.998 1.763 0.596 0.812 1.000 0.667 CB 1.172 12 residues pruned to eliminate duplicates Z: 9 10.760 1.670 0.800 0.886 1.000 0.750 CB 0.913 8 residues pruned to eliminate duplicates Z: 7 6.766 1.723 0.528 0.613 0.833 0.833 N 1.131 7 residues pruned to eliminate duplicates Z: 18 6.715 1.628 0.492 0.329 0.824 0.471 CB 0.981 Z: 17 14.581 1.650 0.330 0.830 1.000 0.750 CA 1.249 Z: 12 16.713 1.948 0.385 0.885 1.000 1.000 CB 1.349 12 residues pruned to eliminate duplicates Z: 13 6.927 1.628 0.282 0.389 0.917 0.417 N 1.176 Z: 7 7.939 1.842 0.471 0.710 1.000 0.833 CB 0.989 Z: 8 5.244 1.898 0.336 0.442 0.714 0.286 CB 1.162 8 residues pruned to eliminate duplicates Z: 7 6.287 1.984 0.413 0.818 1.000 1.000 CB 0.695 Z: 25 14.637 1.707 0.395 0.585 0.875 0.583 CB 1.322 17 residues pruned to eliminate duplicates Z: 14 8.986 1.821 0.180 0.566 0.769 0.615 N 1.415 14 residues pruned to eliminate duplicates Z: 20 16.266 1.673 0.475 0.804 0.895 0.842 N 1.296 25 residues pruned to eliminate duplicates Z: 9 4.907 1.736 0.241 0.355 0.875 0.250 CB 1.076 7 residues pruned to eliminate duplicates Z: 10 2.907 1.494 0.147 0.347 0.667 0.222 O 1.001 Z: 8 10.943 1.724 0.536 0.874 1.000 0.857 CB 1.136 8 residues pruned to eliminate duplicates Z: 9 13.502 1.816 0.468 0.788 1.000 1.000 CB 1.390 9 residues pruned to eliminate duplicates Z: 16 28.210 1.946 0.708 0.908 1.000 1.000 CB 1.556 16 residues pruned to eliminate duplicates Z: 10 16.366 1.865 0.697 0.907 1.000 0.778 CB 1.226 10 residues pruned to eliminate duplicates Z: 11 7.655 1.701 0.336 0.498 0.900 0.600 O 1.185 6 residues pruned to eliminate duplicates Z: 6 3.954 1.647 0.645 0.408 0.600 0.400 CA 1.198 Z: 7 5.535 1.644 0.537 0.620 0.833 0.500 CB 0.958 7 residues pruned to eliminate duplicates Z: 16 20.006 1.712 0.678 0.911 1.000 0.867 CB 1.274 14 residues pruned to eliminate duplicates Z: 15 4.380 1.565 0.485 0.340 0.786 0.500 CB 0.763 Z: 14 17.062 1.857 0.472 0.867 1.000 0.923 CB 1.266 13 residues pruned to eliminate duplicates Z: 9 8.435 1.847 0.620 0.869 1.000 0.750 CB 0.728 Z: 6 4.721 1.666 0.207 0.611 0.800 0.800 CB 1.182 6 residues pruned to eliminate duplicates Z: 18 17.654 1.849 0.740 0.885 0.941 0.706 CB 1.021 18 residues pruned to eliminate duplicates Z: 12 11.314 1.806 0.608 0.615 0.909 0.636 N 1.159 11 residues pruned to eliminate duplicates Z: 22 13.242 1.766 0.523 0.577 0.952 0.667 CB 1.047 22 residues pruned to eliminate duplicates Z: 14 11.474 1.922 0.487 0.477 0.923 0.692 CB 1.235 14 residues pruned to eliminate duplicates Z: 12 10.347 1.683 0.038 0.876 1.000 0.909 CB 1.297 12 residues pruned to eliminate duplicates Z: 19 32.187 1.891 0.985 0.910 1.000 0.722 CB 1.433 19 residues pruned to eliminate duplicates Z: 14 17.493 1.816 0.629 0.900 1.000 0.923 CB 1.171 14 residues pruned to eliminate duplicates Z: 27 19.727 1.807 0.487 0.690 0.923 0.731 CB 1.311 20 residues pruned to eliminate duplicates Z: 6 2.650 1.561 0.223 0.518 0.600 0.600 O 1.016 Z: 10 6.449 1.833 0.455 0.857 1.000 0.667 CB 0.594 8 residues pruned to eliminate duplicates Z: 19 20.100 1.704 0.552 0.872 1.000 0.667 CB 1.305 20 residues pruned to eliminate duplicates Z: 9 6.946 1.688 0.003 0.520 1.000 0.500 CB 1.422 9 residues pruned to eliminate duplicates Z: 10 14.892 1.878 0.605 0.796 1.000 0.556 CB 1.271 10 residues pruned to eliminate duplicates Z: 12 12.063 1.789 0.302 0.786 0.909 0.818 CB 1.336 12 residues pruned to eliminate duplicates Z: 16 18.788 1.740 0.456 0.884 1.000 0.867 CB 1.384 16 residues pruned to eliminate duplicates Z: 20 16.741 1.935 0.651 0.519 0.895 0.632 CB 1.318 20 residues pruned to eliminate duplicates Z: 30 14.699 1.918 0.412 0.432 0.828 0.621 CB 1.307 30 residues pruned to eliminate duplicates Z: 19 14.414 1.803 0.352 0.895 1.000 0.833 CB 0.999 18 residues pruned to eliminate duplicates Z: 8 7.114 1.892 0.458 0.509 0.714 0.571 O 1.353 8 residues pruned to eliminate duplicates Z: 13 10.357 1.758 0.162 0.799 0.917 0.667 N 1.229 11 residues pruned to eliminate duplicates Z: 10 15.204 1.842 0.982 0.848 0.889 0.667 CB 1.158 10 residues pruned to eliminate duplicates Z: 14 19.760 1.974 0.685 0.923 1.000 0.846 CB 1.158 15 residues pruned to eliminate duplicates Z: 16 13.743 1.770 0.484 0.610 0.933 0.867 CB 1.304 16 residues pruned to eliminate duplicates Z: 15 16.633 1.784 0.806 0.908 0.929 0.571 CB 1.055 15 residues pruned to eliminate duplicates Z: 6 4.897 1.793 0.784 0.519 0.800 0.800 CB 0.840 Z: 11 10.532 1.801 0.640 0.664 0.800 0.800 CB 1.210 11 residues pruned to eliminate duplicates Z: 22 14.665 1.656 0.387 0.766 0.952 0.714 CB 1.156 17 residues pruned to eliminate duplicates Z: 12 17.395 1.937 0.476 0.830 1.000 0.727 CB 1.380 12 residues pruned to eliminate duplicates Z: 13 7.749 1.566 0.268 0.707 0.833 0.500 N 1.120 Z: 21 12.648 1.885 0.491 0.499 0.850 0.600 CB 1.185 21 residues pruned to eliminate duplicates Z: 21 14.706 1.945 0.463 0.450 0.900 0.450 CB 1.352 22 residues pruned to eliminate duplicates Z: 13 8.213 1.636 0.023 0.849 1.000 0.750 CB 1.050 13 residues pruned to eliminate duplicates Z: 13 12.487 1.712 0.184 0.848 0.917 0.833 CB 1.439 13 residues pruned to eliminate duplicates Z: 7 5.197 1.535 0.452 0.556 0.833 0.500 CB 1.081 Z: 18 18.068 1.832 0.741 0.911 0.941 0.529 CB 1.035 18 residues pruned to eliminate duplicates Z: 13 12.604 1.745 0.624 0.879 0.917 0.750 CB 1.015 13 residues pruned to eliminate duplicates Z: 11 3.629 1.489 0.241 0.416 0.700 0.500 N 0.968 Z: 11 12.890 1.839 0.826 0.437 0.900 0.400 CB 1.440 11 residues pruned to eliminate duplicates Z: 10 7.336 1.911 -0.322 0.842 1.000 0.889 CB 1.406 10 residues pruned to eliminate duplicates Z: 11 10.755 1.783 0.735 0.490 0.800 0.600 CB 1.387 10 residues pruned to eliminate duplicates Z: 25 27.171 1.975 0.746 0.647 0.958 0.750 CB 1.463 25 residues pruned to eliminate duplicates Z: 25 17.837 1.915 0.598 0.569 0.958 0.625 CB 1.161 23 residues pruned to eliminate duplicates Z: 16 17.113 1.712 0.511 0.870 0.933 0.667 CB 1.336 16 residues pruned to eliminate duplicates Z: 10 10.494 1.639 0.846 0.834 0.889 0.667 CB 0.976 10 residues pruned to eliminate duplicates Z: 10 13.143 1.790 0.376 0.776 1.000 0.667 CB 1.394 10 residues pruned to eliminate duplicates Z: 17 20.178 1.898 0.664 0.880 1.000 0.875 CB 1.157 17 residues pruned to eliminate duplicates Z: 10 18.282 1.964 0.577 0.833 0.889 0.778 CB 1.660 10 residues pruned to eliminate duplicates Z: 7 5.262 1.616 -0.006 0.682 0.833 0.667 N 1.357 Z: 12 10.331 1.766 0.013 0.895 1.000 0.909 CB 1.249 12 residues pruned to eliminate duplicates Z: 19 10.288 1.781 0.259 0.472 0.889 0.611 CB 1.251 19 residues pruned to eliminate duplicates Z: 12 7.270 1.683 0.345 0.558 0.727 0.455 CB 1.259 11 residues pruned to eliminate duplicates Z: 17 17.379 1.678 0.641 0.842 0.938 0.812 CB 1.255 17 residues pruned to eliminate duplicates Z: 6 8.179 1.742 0.782 0.565 0.800 0.400 CA 1.383 Z: 22 15.686 1.837 0.588 0.546 0.857 0.571 CB 1.308 22 residues pruned to eliminate duplicates Z: 8 3.457 1.450 0.548 0.225 0.714 0.571 CB 1.125 6 residues pruned to eliminate duplicates Z: 11 9.958 1.592 0.296 0.814 1.000 0.600 CB 1.161 10 residues pruned to eliminate duplicates Z: 23 10.530 1.784 0.463 0.461 0.864 0.636 CB 1.036 23 residues pruned to eliminate duplicates Z: 7 7.057 1.874 0.640 0.673 0.833 0.667 CB 0.959 7 residues pruned to eliminate duplicates Z: 16 17.650 1.700 0.520 0.848 0.933 0.800 CB 1.401 16 residues pruned to eliminate duplicates Z: 28 22.353 1.784 0.562 0.701 0.963 0.778 CB 1.335 27 residues pruned to eliminate duplicates Z: 12 18.414 1.832 0.682 0.879 1.000 0.727 CB 1.307 12 residues pruned to eliminate duplicates Z: 12 17.868 1.733 0.729 0.773 1.000 0.727 CB 1.412 12 residues pruned to eliminate duplicates Z: 21 14.304 1.834 0.569 0.709 1.000 0.700 CB 0.919 37 residues pruned to eliminate duplicates Z: 25 25.132 1.984 0.664 0.617 0.875 0.667 CB 1.591 25 residues pruned to eliminate duplicates Z: 40 24.107 1.908 0.469 0.627 0.974 0.744 CB 1.254 53 residues pruned to eliminate duplicates Z: 18 21.275 1.814 0.832 0.917 1.000 0.588 CB 1.096 23 residues pruned to eliminate duplicates Z: 11 3.662 1.428 0.206 0.417 1.000 0.700 CB 0.733 Z: 11 14.902 1.699 0.859 0.712 0.900 0.800 CB 1.368 7 residues pruned to eliminate duplicates Z: 16 16.469 1.795 0.926 0.912 0.933 0.800 CB 0.934 16 residues pruned to eliminate duplicates 6 1.333 1.837 0.470 0.860 1.000 1.000 CB 0.162 ? Z: 8 3.774 1.607 0.383 0.478 0.714 0.571 CB 0.918 Z: 28 14.199 1.749 0.496 0.482 0.852 0.556 CB 1.248 32 residues pruned to eliminate duplicates Z: 9 9.561 1.873 0.096 0.899 0.875 0.875 CB 1.345 9 residues pruned to eliminate duplicates Z: 6 3.014 1.590 0.389 0.638 0.800 0.800 CB 0.670 6 residues pruned to eliminate duplicates Z: 16 15.691 1.712 0.483 0.831 0.867 0.600 CB 1.384 16 residues pruned to eliminate duplicates Z: 6 6.629 1.731 0.801 0.406 1.000 0.400 CB 1.050 6 residues pruned to eliminate duplicates Z: 9 3.828 1.597 0.061 0.334 0.750 0.500 O 1.277 8 residues pruned to eliminate duplicates Z: 7 4.793 1.529 0.407 0.341 1.000 0.500 CB 1.082 Z: 11 18.117 1.912 0.597 0.902 1.000 0.900 CB 1.338 11 residues pruned to eliminate duplicates Z: 9 8.470 1.696 0.282 0.832 1.000 0.750 CB 1.034 9 residues pruned to eliminate duplicates Z: 11 9.647 1.654 0.582 0.648 0.800 0.800 CB 1.269 11 residues pruned to eliminate duplicates Z: 22 14.098 1.814 0.676 0.621 0.905 0.667 CB 0.998 22 residues pruned to eliminate duplicates Z: 14 8.339 1.813 0.545 0.878 0.769 0.538 CB 0.779 14 residues pruned to eliminate duplicates Z: 17 27.773 1.964 0.976 0.906 1.000 0.750 CB 1.273 17 residues pruned to eliminate duplicates Z: 17 15.301 1.719 0.726 0.799 0.938 0.625 CB 1.059 17 residues pruned to eliminate duplicates Z: 17 14.783 1.632 0.373 0.879 0.938 0.750 CB 1.275 17 residues pruned to eliminate duplicates Z: 12 10.254 1.826 0.390 0.871 0.909 0.727 CB 0.977 12 residues pruned to eliminate duplicates Z: 16 7.429 1.788 0.140 0.456 0.867 0.533 CB 1.136 16 residues pruned to eliminate duplicates Z: 6 3.761 1.594 0.065 0.460 1.000 0.600 CB 1.032 Z: 6 2.593 1.522 -0.253 0.822 0.800 0.800 CA 0.965 Z: 6 3.082 1.509 0.295 0.632 0.800 0.800 CB 0.779 Z: 7 5.508 1.569 0.854 0.513 0.667 0.500 CB 1.145 Z: 17 29.556 2.041 0.662 0.922 1.000 0.938 CB 1.532 17 residues pruned to eliminate duplicates Z: 10 6.981 1.677 0.874 0.260 0.778 0.556 CB 1.253 Z: 28 20.683 1.853 0.635 0.564 0.889 0.741 CB 1.390 32 residues pruned to eliminate duplicates Z: 14 17.861 1.754 0.864 0.908 0.923 0.846 CB 1.166 14 residues pruned to eliminate duplicates Z: 16 16.427 1.669 0.623 0.829 0.933 0.733 CB 1.263 16 residues pruned to eliminate duplicates Z: 9 10.030 1.648 0.677 0.601 0.875 0.750 CB 1.332 10 residues pruned to eliminate duplicates Z: 26 18.264 1.792 0.536 0.677 0.880 0.680 CB 1.280 26 residues pruned to eliminate duplicates Z: 19 15.814 1.715 0.597 0.761 0.889 0.611 CB 1.214 19 residues pruned to eliminate duplicates Z: 11 20.975 1.849 0.922 0.888 1.000 0.800 CB 1.345 11 residues pruned to eliminate duplicates Z: 19 8.458 1.695 0.399 0.478 0.944 0.778 CB 0.910 19 residues pruned to eliminate duplicates Z: 10 14.862 2.061 0.447 0.655 0.889 0.556 CB 1.619 10 residues pruned to eliminate duplicates Z: 14 15.580 1.795 0.844 0.922 1.000 0.692 CB 0.918 14 residues pruned to eliminate duplicates Z: 7 2.571 1.520 0.770 0.242 0.500 0.333 N 1.052 Z: 6 5.944 1.946 0.180 0.441 1.000 0.600 CB 1.229 6 residues pruned to eliminate duplicates Z: 15 10.016 1.772 0.626 0.701 0.786 0.429 CB 0.985 15 residues pruned to eliminate duplicates Z: 17 16.339 1.680 0.457 0.853 0.938 0.750 CB 1.315 17 residues pruned to eliminate duplicates Z: 20 12.188 1.760 0.639 0.368 0.842 0.474 CB 1.326 20 residues pruned to eliminate duplicates Z: 17 13.762 1.675 0.244 0.857 0.938 0.750 CB 1.298 17 residues pruned to eliminate duplicates Z: 6 5.120 1.560 0.577 0.631 0.800 0.400 N 1.028 6 residues pruned to eliminate duplicates Z: 12 11.130 1.731 0.373 0.724 1.000 0.455 CB 1.153 12 residues pruned to eliminate duplicates Z: 18 11.006 1.783 0.308 0.451 0.941 0.471 CB 1.280 18 residues pruned to eliminate duplicates Z: 13 19.905 1.774 0.871 0.797 0.917 0.500 CA 1.456 13 residues pruned to eliminate duplicates Z: 9 7.021 1.575 0.585 0.666 0.750 0.750 CB 1.137 9 residues pruned to eliminate duplicates Z: 9 3.925 1.362 0.284 0.292 0.875 0.375 CB 1.145 Z: 15 14.391 1.646 0.725 0.856 1.000 0.857 CB 0.999 15 residues pruned to eliminate duplicates Z: 13 13.130 1.969 0.534 0.485 0.917 0.750 CB 1.389 13 residues pruned to eliminate duplicates Z: 14 15.202 1.709 0.383 0.892 1.000 0.846 CB 1.282 14 residues pruned to eliminate duplicates Z: 7 5.160 1.548 0.542 0.828 0.667 0.500 CB 0.997 7 residues pruned to eliminate duplicates Z: 8 3.038 1.712 0.240 0.451 0.714 0.429 CB 0.796 8 residues pruned to eliminate duplicates Z: 7 4.989 1.712 0.353 0.684 0.833 0.667 N 0.891 7 residues pruned to eliminate duplicates Z: 7 7.237 1.727 0.960 0.406 0.833 0.667 CB 1.156 7 residues pruned to eliminate duplicates Z: 6 2.783 1.709 0.984 0.828 1.000 0.600 CB 0.276 Z: 15 13.842 1.740 0.730 0.875 0.857 0.714 CB 1.043 15 residues pruned to eliminate duplicates Z: 24 18.449 1.790 0.761 0.571 0.957 0.652 CB 1.191 30 residues pruned to eliminate duplicates Z: 14 10.693 1.794 0.597 0.887 0.846 0.615 CB 0.882 14 residues pruned to eliminate duplicates Z: 11 5.391 1.461 0.552 0.409 0.700 0.700 CB 1.181 7 residues pruned to eliminate duplicates Z: 11 16.081 1.918 0.392 0.914 1.000 0.900 CB 1.347 11 residues pruned to eliminate duplicates Z: 20 14.073 1.765 0.446 0.588 0.895 0.579 CB 1.299 14 residues pruned to eliminate duplicates Z: 9 3.788 1.585 0.321 0.335 0.625 0.375 N 1.225 9 residues pruned to eliminate duplicates Z: 11 6.118 1.567 0.713 0.198 0.800 0.400 CB 1.290 Z: 12 13.882 1.859 0.294 0.900 0.909 0.818 CB 1.368 Z: 7 3.821 1.690 0.469 0.723 0.667 0.667 CB 0.771 Z: 9 4.292 1.531 0.565 0.313 0.750 0.500 CB 1.039 Z: 7 7.441 1.694 0.665 0.536 0.833 0.833 CB 1.247 Z: 27 15.414 1.746 0.581 0.561 0.808 0.577 CB 1.278 37 residues pruned to eliminate duplicates Z: 9 8.480 1.718 0.616 0.565 0.750 0.750 CB 1.351 9 residues pruned to eliminate duplicates Z: 6 5.579 1.848 0.279 0.631 0.800 0.600 CB 1.166 6 residues pruned to eliminate duplicates Z: 25 12.964 1.580 0.586 0.619 0.917 0.708 CB 1.029 17 residues pruned to eliminate duplicates Z: 9 4.804 1.450 0.413 0.299 0.875 0.250 O 1.185 10 residues pruned to eliminate duplicates Z: 12 9.187 1.761 0.483 0.890 1.000 0.909 CB 0.763 Z: 15 9.657 1.807 0.415 0.454 0.929 0.500 CB 1.139 15 residues pruned to eliminate duplicates Z: 6 6.314 1.615 0.487 0.655 0.800 0.600 CB 1.272 6 residues pruned to eliminate duplicates Z: 6 2.293 1.386 0.080 0.408 0.800 0.600 N 0.943 Z: 8 4.822 1.259 0.366 0.738 1.000 0.571 N 0.856 Z: 11 6.229 1.709 0.169 0.883 0.900 0.700 CB 0.792 11 residues pruned to eliminate duplicates Z: 18 11.971 1.755 0.456 0.543 0.882 0.706 CB 1.235 18 residues pruned to eliminate duplicates Z: 8 5.600 1.311 1.002 0.341 0.857 0.571 CB 1.119 7 residues pruned to eliminate duplicates Z: 9 2.656 1.680 -0.124 0.496 0.750 0.500 CB 0.854 Z: 9 3.705 1.538 0.142 0.493 0.750 0.625 CB 1.001 9 residues pruned to eliminate duplicates Z: 21 7.800 1.474 0.485 0.302 0.850 0.450 CB 1.169 18 residues pruned to eliminate duplicates Z: 6 8.073 1.446 0.734 0.858 1.000 1.000 CB 1.060 5 residues pruned to eliminate duplicates Z: 8 4.626 1.665 0.477 0.476 0.714 0.714 CB 1.020 8 residues pruned to eliminate duplicates Z: 19 15.991 1.659 0.262 0.898 1.000 0.778 CB 1.288 19 residues pruned to eliminate duplicates Z: 18 11.356 1.656 0.658 0.433 0.824 0.529 CB 1.306 17 residues pruned to eliminate duplicates Z: 7 4.714 1.514 0.114 0.537 1.000 0.667 N 1.100 Z: 6 3.405 1.584 0.359 0.248 0.800 0.800 N 1.182 6 residues pruned to eliminate duplicates Z: 16 28.095 2.022 0.713 0.908 1.000 0.800 CB 1.488 16 residues pruned to eliminate duplicates Z: 8 2.129 1.423 0.638 0.201 0.571 0.286 N 0.862 Z: 12 10.956 1.639 0.526 0.725 0.818 0.545 N 1.318 8 residues pruned to eliminate duplicates Z: 21 12.925 1.627 0.368 0.779 0.850 0.700 CB 1.195 21 residues pruned to eliminate duplicates Z: 6 8.267 1.731 0.539 0.747 1.000 0.800 CB 1.113 Z: 19 25.138 1.919 0.519 0.938 1.000 0.944 CB 1.413 19 residues pruned to eliminate duplicates Z: 17 9.016 1.631 0.271 0.706 0.875 0.500 CB 1.030 17 residues pruned to eliminate duplicates Z: 27 19.719 1.880 0.350 0.787 0.885 0.615 CB 1.338 27 residues pruned to eliminate duplicates Z: 13 13.565 1.666 0.393 0.835 0.917 0.833 N 1.379 13 residues pruned to eliminate duplicates Z: 16 18.580 1.882 0.564 0.906 1.000 0.800 CB 1.159 16 residues pruned to eliminate duplicates Z: 8 4.173 1.555 0.426 0.626 0.857 0.571 CB 0.737 8 residues pruned to eliminate duplicates Z: 14 11.787 1.845 0.620 0.886 0.846 0.846 CB 0.932 14 residues pruned to eliminate duplicates Z: 16 16.100 1.763 0.622 0.843 1.000 0.733 CB 1.083 16 residues pruned to eliminate duplicates Z: 7 5.905 1.339 0.384 0.857 1.000 0.667 CB 0.959 6 residues pruned to eliminate duplicates Z: 13 10.843 1.882 0.548 0.471 0.750 0.667 CB 1.476 13 residues pruned to eliminate duplicates Z: 8 7.224 1.785 0.161 0.598 1.000 0.857 CB 1.199 Z: 33 25.096 1.846 0.825 0.641 0.844 0.625 CB 1.368 33 residues pruned to eliminate duplicates Z: 18 10.166 1.735 0.429 0.368 0.824 0.529 O 1.390 18 residues pruned to eliminate duplicates Z: 32 17.698 1.704 0.632 0.538 0.903 0.677 CB 1.219 26 residues pruned to eliminate duplicates Z: 21 15.625 1.749 0.455 0.610 0.900 0.650 CB 1.374 21 residues pruned to eliminate duplicates Z: 13 17.103 1.780 0.585 0.838 1.000 0.750 CB 1.307 13 residues pruned to eliminate duplicates Z: 13 18.920 1.810 0.425 0.923 1.000 0.917 CB 1.487 13 residues pruned to eliminate duplicates Z: 6 8.038 1.668 0.391 0.745 1.000 0.600 CB 1.245 6 residues pruned to eliminate duplicates Z: 10 8.274 1.645 0.566 0.468 0.889 0.556 CB 1.244 9 residues pruned to eliminate duplicates Z: 16 11.308 1.720 0.544 0.583 1.000 0.600 CB 1.015 15 residues pruned to eliminate duplicates Z: 47 21.855 1.876 0.609 0.565 0.870 0.630 CB 1.152 60 residues pruned to eliminate duplicates Z: 15 10.762 1.771 0.526 0.464 0.786 0.500 N 1.405 15 residues pruned to eliminate duplicates Z: 6 2.761 1.456 0.304 0.427 0.600 0.600 N 1.169 Z: 7 3.279 1.485 0.555 0.724 0.833 0.500 CB 0.568 Z: 6 4.219 1.689 0.244 0.350 0.800 0.600 CB 1.321 Z: 7 4.984 1.612 0.374 0.407 0.833 0.500 O 1.215 Z: 17 14.473 1.647 0.632 0.813 0.875 0.688 CB 1.172 17 residues pruned to eliminate duplicates Z: 11 20.372 2.078 0.931 0.462 1.000 0.500 CB 1.669 17 residues pruned to eliminate duplicates Z: 6 2.551 1.384 0.522 0.280 0.600 0.400 CB 1.157 Z: 10 7.707 1.815 0.203 0.544 0.778 0.778 CB 1.450 10 residues pruned to eliminate duplicates Z: 13 9.381 1.786 0.531 0.886 0.833 0.750 CB 0.857 13 residues pruned to eliminate duplicates Z: 14 21.021 1.788 0.639 0.908 1.000 0.923 CB 1.413 14 residues pruned to eliminate duplicates Z: 16 13.387 1.703 0.594 0.770 0.800 0.533 N 1.253 16 residues pruned to eliminate duplicates 6 1.033 1.358 0.167 0.328 0.600 0.600 N 0.587 ? Z: 25 17.263 1.947 0.667 0.617 0.958 0.667 CB 1.014 25 residues pruned to eliminate duplicates Z: 7 3.907 1.603 0.369 0.391 0.667 0.667 CB 1.224 Z: 8 2.674 1.744 0.902 0.324 0.857 0.714 CB 0.431 Z: 11 12.708 1.802 0.364 0.808 0.900 0.700 N 1.389 12 residues pruned to eliminate duplicates Z: 51 22.141 1.844 0.469 0.592 0.980 0.660 CB 1.081 53 residues pruned to eliminate duplicates Z: 8 2.078 1.419 0.291 0.220 0.714 0.429 CB 0.834 Z: 10 13.742 1.784 0.709 0.654 0.889 0.889 CB 1.465 10 residues pruned to eliminate duplicates 6 1.125 1.374 0.041 0.295 0.800 0.400 CB 0.554 ? Z: 6 5.599 1.565 0.532 0.663 1.000 1.000 CB 0.898 Z: 6 3.838 1.430 0.118 0.633 0.800 0.800 N 1.185 14 residues pruned to eliminate duplicates Z: 28 11.495 1.556 0.439 0.598 0.889 0.593 CB 1.013 25 residues pruned to eliminate duplicates Z: 6 2.629 1.771 -0.116 0.423 0.800 0.400 N 1.017 Z: 7 2.606 1.501 0.224 0.318 0.833 0.500 N 0.849 Z: 14 11.676 1.625 0.384 0.802 1.000 0.692 CB 1.106 14 residues pruned to eliminate duplicates Z: 18 8.743 1.700 0.434 0.549 0.706 0.529 CB 1.174 18 residues pruned to eliminate duplicates Z: 11 6.512 1.631 0.322 0.788 1.000 0.700 CB 0.742 7 residues pruned to eliminate duplicates Z: 16 11.428 1.726 0.193 0.794 0.933 0.800 CB 1.187 16 residues pruned to eliminate duplicates Z: 11 3.408 1.474 0.326 0.167 0.800 0.400 CB 1.033 Z: 18 5.246 1.685 0.250 0.398 0.706 0.412 CB 0.953 8 residues pruned to eliminate duplicates Z: 25 10.164 1.592 0.625 0.347 0.750 0.542 CB 1.262 32 residues pruned to eliminate duplicates Z: 6 4.314 1.730 0.178 0.677 1.000 1.000 CB 0.804 Z: 14 29.937 2.137 0.640 0.900 1.000 0.923 CB 1.691 14 residues pruned to eliminate duplicates Z: 8 4.887 1.504 0.441 0.553 0.714 0.571 CB 1.133 13 residues pruned to eliminate duplicates Z: 17 15.474 1.768 0.578 0.609 1.000 0.562 CB 1.251 17 residues pruned to eliminate duplicates 6 1.967 1.524 0.240 0.296 0.600 0.600 CB 0.974 ? Z: 13 9.229 1.591 0.705 0.414 0.917 0.750 CB 1.173 16 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 2.788 1.554 0.130 0.368 0.800 0.600 CB 1.022 Z: 6 2.902 1.232 0.266 0.371 1.000 0.400 O 0.955 6 residues pruned to eliminate duplicates Z: 12 7.535 1.768 0.314 0.532 0.818 0.727 CB 1.158 12 residues pruned to eliminate duplicates Z: 17 7.010 1.694 0.368 0.422 0.750 0.375 CB 1.094 14 residues pruned to eliminate duplicates Z: 9 4.233 1.552 0.085 0.567 0.875 0.500 CB 0.952 10 residues pruned to eliminate duplicates Z: 6 3.023 1.345 0.552 0.457 0.800 0.600 CB 0.845 Z: 8 3.107 1.524 0.030 0.539 0.857 0.571 CB 0.840 Z: 13 15.913 1.736 0.432 0.894 1.000 1.000 O 1.326 13 residues pruned to eliminate duplicates Z: 19 19.341 1.837 0.487 0.728 1.000 0.833 CB 1.359 21 residues pruned to eliminate duplicates Z: 14 16.746 1.752 0.511 0.900 0.923 0.923 CB 1.358 14 residues pruned to eliminate duplicates Z: 20 17.172 1.821 0.433 0.714 1.000 0.947 CB 1.244 20 residues pruned to eliminate duplicates Z: 23 15.771 1.690 0.501 0.615 0.955 0.727 CB 1.245 23 residues pruned to eliminate duplicates Z: 20 13.660 1.801 0.443 0.494 0.895 0.737 CB 1.355 20 residues pruned to eliminate duplicates Z: 20 21.193 1.818 0.700 0.671 1.000 0.684 CB 1.343 20 residues pruned to eliminate duplicates Z: 20 15.191 1.784 0.475 0.519 1.000 0.632 CB 1.299 20 residues pruned to eliminate duplicates Z: 17 17.464 1.649 0.689 0.873 1.000 0.625 N 1.142 17 residues pruned to eliminate duplicates Z: 12 11.950 1.639 0.574 0.683 0.909 0.455 O 1.298 12 residues pruned to eliminate duplicates Z: 20 16.934 1.735 0.584 0.715 0.895 0.579 CB 1.301 19 residues pruned to eliminate duplicates Z: 14 19.804 1.747 0.829 0.892 0.923 0.538 CB 1.337 14 residues pruned to eliminate duplicates Z: 19 14.596 1.779 0.448 0.673 0.889 0.611 CB 1.281 19 residues pruned to eliminate duplicates Z: 9 6.658 1.764 0.344 0.498 0.875 0.750 CB 1.137 9 residues pruned to eliminate duplicates Z: 9 6.417 1.589 0.540 0.285 1.000 0.250 CB 1.180 9 residues pruned to eliminate duplicates Z: 9 6.633 1.729 0.350 0.368 0.875 0.250 CB 1.323 9 residues pruned to eliminate duplicates Z: 18 12.207 1.809 0.378 0.465 0.941 0.412 CB 1.308 18 residues pruned to eliminate duplicates Z: 17 15.185 1.800 0.453 0.612 1.000 0.562 CB 1.306 17 residues pruned to eliminate duplicates Z: 12 7.092 1.655 0.450 0.343 0.909 0.364 CB 1.163 12 residues pruned to eliminate duplicates Z: 21 12.321 1.755 0.444 0.486 0.800 0.500 CB 1.378 21 residues pruned to eliminate duplicates Z: 20 12.438 1.752 0.388 0.569 0.895 0.474 CB 1.227 20 residues pruned to eliminate duplicates Z: 26 9.731 1.743 0.342 0.351 0.800 0.520 CB 1.222 36 residues pruned to eliminate duplicates Z: 7 4.913 1.496 0.717 0.332 0.833 0.500 CB 1.126 7 residues pruned to eliminate duplicates Z: 13 7.711 1.687 0.465 0.401 0.750 0.583 CB 1.332 13 residues pruned to eliminate duplicates Z: 12 9.398 1.828 0.391 0.431 0.909 0.727 CB 1.317 12 residues pruned to eliminate duplicates Z: 13 6.656 1.747 0.424 0.317 0.750 0.500 CB 1.261 13 residues pruned to eliminate duplicates Z: 12 6.461 1.784 0.440 0.344 0.818 0.455 CB 1.098 12 residues pruned to eliminate duplicates Z: 12 7.856 1.776 0.395 0.413 0.818 0.727 CB 1.279 12 residues pruned to eliminate duplicates Z: 13 8.367 1.715 0.557 0.333 0.750 0.500 CB 1.447 13 residues pruned to eliminate duplicates Z: 10 16.006 2.006 0.697 0.704 1.000 0.889 CB 1.302 10 residues pruned to eliminate duplicates Z: 22 19.950 1.945 0.556 0.543 0.952 0.619 CB 1.448 22 residues pruned to eliminate duplicates Z: 22 17.198 1.930 0.690 0.491 0.810 0.571 CB 1.434 22 residues pruned to eliminate duplicates Z: 14 14.993 1.903 0.697 0.488 0.846 0.615 CB 1.540 14 residues pruned to eliminate duplicates Z: 13 14.825 1.923 0.694 0.450 0.917 0.667 CB 1.508 13 residues pruned to eliminate duplicates Z: 42 18.402 1.880 0.504 0.463 0.902 0.634 CB 1.170 28 residues pruned to eliminate duplicates Z: 6 6.123 1.689 0.752 0.398 0.800 0.800 N 1.288 6 residues pruned to eliminate duplicates Z: 22 23.572 1.958 0.610 0.617 1.000 0.714 CB 1.461 22 residues pruned to eliminate duplicates Z: 29 16.182 1.841 0.642 0.445 0.893 0.500 CB 1.198 29 residues pruned to eliminate duplicates Z: 22 19.589 1.948 0.580 0.553 0.905 0.667 CB 1.458 22 residues pruned to eliminate duplicates Z: 26 16.109 1.875 0.554 0.495 0.840 0.640 CB 1.322 26 residues pruned to eliminate duplicates Z: 30 18.825 1.822 0.640 0.461 0.897 0.655 CB 1.358 30 residues pruned to eliminate duplicates Z: 10 13.037 1.897 0.456 0.663 1.000 0.778 CB 1.353 10 residues pruned to eliminate duplicates Z: 12 11.150 1.848 0.546 0.559 0.909 0.727 N 1.222 12 residues pruned to eliminate duplicates Z: 15 9.697 1.697 0.450 0.537 0.857 0.786 CB 1.185 15 residues pruned to eliminate duplicates Z: 20 14.198 1.800 0.683 0.505 0.842 0.421 CB 1.270 20 residues pruned to eliminate duplicates Z: 16 10.469 1.705 0.556 0.442 0.867 0.467 CB 1.249 16 residues pruned to eliminate duplicates Z: 13 10.513 1.874 0.587 0.484 0.833 0.500 N 1.244 13 residues pruned to eliminate duplicates Z: 28 12.974 1.748 0.514 0.472 0.815 0.481 CB 1.192 28 residues pruned to eliminate duplicates Z: 15 12.245 1.802 0.394 0.560 0.929 0.571 CB 1.324 21 residues pruned to eliminate duplicates Z: 21 21.760 1.898 0.308 0.822 1.000 1.000 CB 1.482 21 residues pruned to eliminate duplicates Z: 13 15.863 1.965 0.506 0.627 0.917 0.667 CB 1.498 13 residues pruned to eliminate duplicates Z: 17 12.963 1.893 0.562 0.514 0.812 0.562 CB 1.330 17 residues pruned to eliminate duplicates Z: 20 24.385 1.920 0.427 0.901 1.000 0.842 CB 1.458 20 residues pruned to eliminate duplicates Z: 15 16.030 1.962 0.734 0.621 0.786 0.571 CB 1.429 15 residues pruned to eliminate duplicates Z: 28 20.764 1.905 0.569 0.647 0.852 0.593 CB 1.369 28 residues pruned to eliminate duplicates Z: 24 22.390 1.979 0.369 0.786 0.957 0.870 CB 1.401 24 residues pruned to eliminate duplicates Z: 24 24.567 1.970 0.583 0.747 0.913 0.783 CB 1.444 24 residues pruned to eliminate duplicates Z: 19 23.642 1.971 0.558 0.862 0.944 0.778 CB 1.410 19 residues pruned to eliminate duplicates Z: 24 24.018 2.013 0.604 0.761 0.870 0.696 CB 1.415 24 residues pruned to eliminate duplicates Z: 27 27.230 1.939 0.693 0.710 0.962 0.731 CB 1.398 27 residues pruned to eliminate duplicates Z: 21 29.725 2.104 0.650 0.841 0.950 0.850 CB 1.503 21 residues pruned to eliminate duplicates Z: 24 27.313 2.006 0.590 0.761 0.957 0.826 CB 1.481 24 residues pruned to eliminate duplicates Z: 24 28.221 2.018 0.599 0.783 0.957 0.870 CB 1.486 24 residues pruned to eliminate duplicates Z: 25 26.263 2.002 0.664 0.728 0.917 0.750 CB 1.429 25 residues pruned to eliminate duplicates Z: 24 25.644 2.004 0.652 0.740 0.913 0.696 CB 1.427 24 residues pruned to eliminate duplicates Z: 23 32.235 2.054 0.756 0.835 0.955 0.818 CB 1.495 23 residues pruned to eliminate duplicates Z: 23 29.687 2.030 0.782 0.849 0.909 0.818 CB 1.427 23 residues pruned to eliminate duplicates Z: 31 24.779 1.944 0.565 0.717 0.967 0.833 CB 1.264 31 residues pruned to eliminate duplicates Z: 7 6.425 1.781 0.373 0.464 1.000 0.500 CB 1.113 7 residues pruned to eliminate duplicates Z: 17 6.256 1.809 0.291 0.415 0.688 0.438 CB 1.065 17 residues pruned to eliminate duplicates Z: 31 31.454 1.938 0.871 0.703 1.000 0.767 CB 1.317 31 residues pruned to eliminate duplicates Z: 7 7.003 1.826 0.473 0.613 0.833 0.833 CB 1.147 7 residues pruned to eliminate duplicates Z: 30 26.781 1.966 0.722 0.723 0.966 0.793 CB 1.245 30 residues pruned to eliminate duplicates Z: 8 7.480 1.661 0.521 0.557 0.857 0.714 CB 1.236 8 residues pruned to eliminate duplicates Z: 28 10.797 1.709 0.224 0.607 0.852 0.630 CB 1.053 28 residues pruned to eliminate duplicates Z: 9 6.743 1.865 0.151 0.509 0.750 0.500 CB 1.468 9 residues pruned to eliminate duplicates Z: 10 2.958 1.679 0.312 0.227 0.556 0.444 CB 1.108 10 residues pruned to eliminate duplicates Z: 16 7.764 1.908 0.185 0.405 0.800 0.600 CB 1.225 16 residues pruned to eliminate duplicates Z: 21 12.863 1.875 0.320 0.705 0.800 0.700 CB 1.205 21 residues pruned to eliminate duplicates Z: 20 12.772 1.826 0.624 0.665 0.789 0.526 CB 1.075 20 residues pruned to eliminate duplicates Z: 16 13.771 1.866 0.530 0.751 0.867 0.733 CB 1.149 16 residues pruned to eliminate duplicates Z: 19 12.123 1.819 0.682 0.680 0.778 0.556 CB 1.018 19 residues pruned to eliminate duplicates Z: 16 10.485 1.754 0.585 0.715 0.867 0.667 CB 0.925 16 residues pruned to eliminate duplicates Z: 14 8.300 1.855 0.571 0.601 0.769 0.769 CB 0.933 14 residues pruned to eliminate duplicates Z: 10 14.191 1.885 0.741 0.854 0.889 0.667 CB 1.198 10 residues pruned to eliminate duplicates Z: 11 12.554 1.891 0.740 0.761 0.900 0.500 CB 1.063 11 residues pruned to eliminate duplicates Z: 13 9.231 1.845 0.611 0.696 0.833 0.417 CB 0.899 13 residues pruned to eliminate duplicates Z: 16 12.988 1.901 0.666 0.708 0.867 0.667 CB 1.011 16 residues pruned to eliminate duplicates Z: 11 10.341 1.879 0.608 0.807 0.900 0.600 CB 0.921 11 residues pruned to eliminate duplicates Z: 12 11.042 1.860 0.531 0.840 0.909 0.818 CB 0.960 12 residues pruned to eliminate duplicates Z: 20 11.224 1.716 0.558 0.625 0.895 0.579 CB 0.958 20 residues pruned to eliminate duplicates Z: 18 14.160 1.856 0.743 0.700 0.882 0.588 CB 1.003 18 residues pruned to eliminate duplicates Z: 24 17.635 2.003 0.683 0.621 0.913 0.652 CB 1.066 24 residues pruned to eliminate duplicates Z: 15 14.343 2.061 0.420 0.718 0.857 0.571 CB 1.254 15 residues pruned to eliminate duplicates Z: 26 15.209 1.918 0.546 0.488 0.880 0.560 CB 1.180 26 residues pruned to eliminate duplicates Z: 26 17.024 1.925 0.592 0.597 0.960 0.680 CB 1.055 26 residues pruned to eliminate duplicates Z: 26 8.510 1.754 0.476 0.371 0.800 0.560 CB 0.943 26 residues pruned to eliminate duplicates Z: 29 17.863 1.908 0.702 0.605 0.893 0.643 CB 1.054 29 residues pruned to eliminate duplicates Z: 24 19.242 1.991 0.628 0.640 0.957 0.783 CB 1.135 24 residues pruned to eliminate duplicates Z: 26 17.208 1.907 0.662 0.623 0.920 0.640 CB 1.051 26 residues pruned to eliminate duplicates Z: 27 15.958 1.939 0.464 0.573 0.923 0.654 CB 1.113 27 residues pruned to eliminate duplicates Z: 25 14.903 1.974 0.476 0.569 0.875 0.625 CB 1.117 25 residues pruned to eliminate duplicates Z: 29 19.475 1.937 0.673 0.591 0.857 0.679 CB 1.214 27 residues pruned to eliminate duplicates Z: 7 5.520 1.678 0.484 0.663 1.000 0.500 CB 0.778 7 residues pruned to eliminate duplicates Z: 26 21.168 1.977 0.689 0.696 0.920 0.680 CB 1.152 26 residues pruned to eliminate duplicates Z: 27 20.676 1.930 0.647 0.624 0.962 0.654 CB 1.180 27 residues pruned to eliminate duplicates Z: 28 16.929 1.924 0.501 0.651 0.926 0.741 CB 1.058 28 residues pruned to eliminate duplicates Z: 27 18.800 1.902 0.571 0.658 0.885 0.692 CB 1.205 27 residues pruned to eliminate duplicates Z: 26 19.244 1.944 0.746 0.654 0.920 0.600 CB 1.068 29 residues pruned to eliminate duplicates Z: 15 27.535 2.054 0.600 0.894 0.929 0.857 CB 1.729 15 residues pruned to eliminate duplicates Z: 16 27.450 2.078 0.694 0.751 1.000 0.733 CB 1.609 16 residues pruned to eliminate duplicates Z: 19 19.454 1.938 0.612 0.662 0.889 0.722 CB 1.420 19 residues pruned to eliminate duplicates Z: 53 30.194 1.935 0.425 0.651 0.923 0.731 CB 1.429 66 residues pruned to eliminate duplicates Z: 15 30.546 2.048 0.754 0.901 1.000 0.929 CB 1.622 15 residues pruned to eliminate duplicates Z: 25 28.372 2.002 0.690 0.616 0.958 0.750 CB 1.601 25 residues pruned to eliminate duplicates Z: 27 25.878 1.973 0.648 0.583 0.923 0.577 CB 1.562 27 residues pruned to eliminate duplicates Z: 17 22.737 2.012 0.604 0.720 0.938 0.688 CB 1.540 17 residues pruned to eliminate duplicates Z: 14 32.666 2.180 0.704 0.899 1.000 0.923 CB 1.743 14 residues pruned to eliminate duplicates Z: 25 26.604 1.996 0.719 0.633 0.875 0.708 CB 1.597 25 residues pruned to eliminate duplicates Z: 26 19.754 1.945 0.558 0.600 0.840 0.600 CB 1.410 26 residues pruned to eliminate duplicates Z: 24 25.331 1.984 0.614 0.616 0.913 0.696 CB 1.618 24 residues pruned to eliminate duplicates Z: 15 32.591 2.152 0.787 0.828 1.000 0.857 CB 1.705 15 residues pruned to eliminate duplicates Z: 24 27.124 1.988 0.654 0.567 0.957 0.652 CB 1.686 24 residues pruned to eliminate duplicates Z: 27 23.900 1.959 0.703 0.533 0.885 0.577 CB 1.537 27 residues pruned to eliminate duplicates Z: 25 22.145 1.919 0.681 0.581 0.875 0.625 CB 1.481 25 residues pruned to eliminate duplicates Z: 25 23.280 1.897 0.702 0.489 0.958 0.542 CB 1.552 25 residues pruned to eliminate duplicates Z: 10 9.054 1.851 0.713 0.284 0.778 0.333 CB 1.561 10 residues pruned to eliminate duplicates Z: 8 12.798 2.019 0.777 0.459 0.857 0.429 N 1.640 8 residues pruned to eliminate duplicates Z: 25 28.594 1.990 0.779 0.620 0.917 0.583 CB 1.606 25 residues pruned to eliminate duplicates Z: 24 28.512 2.021 0.696 0.645 0.913 0.609 CB 1.659 24 residues pruned to eliminate duplicates Z: 35 21.873 1.816 0.425 0.610 0.941 0.588 CB 1.387 35 residues pruned to eliminate duplicates Z: 10 11.748 1.839 0.736 0.392 0.889 0.333 O 1.547 10 residues pruned to eliminate duplicates Z: 8 3.254 1.707 -0.317 0.607 0.857 0.714 CB 1.112 8 residues pruned to eliminate duplicates Z: 14 8.543 1.742 0.027 0.675 0.923 0.538 CB 1.222 14 residues pruned to eliminate duplicates Z: 13 8.688 1.863 0.112 0.669 0.833 0.583 CB 1.243 13 residues pruned to eliminate duplicates Z: 14 6.883 1.802 -0.085 0.628 0.769 0.538 CB 1.335 14 residues pruned to eliminate duplicates Z: 11 9.595 1.871 0.273 0.692 0.800 0.600 CB 1.335 11 residues pruned to eliminate duplicates Z: 11 10.902 1.640 0.384 0.731 0.900 0.600 N 1.370 11 residues pruned to eliminate duplicates Z: 19 9.534 1.639 0.516 0.524 0.722 0.222 CB 1.223 13 residues pruned to eliminate duplicates Z: 11 12.687 1.852 0.420 0.731 0.900 0.500 CB 1.378 11 residues pruned to eliminate duplicates Z: 13 14.614 1.758 0.392 0.821 0.917 0.667 CB 1.423 13 residues pruned to eliminate duplicates Z: 12 13.426 1.840 0.375 0.838 0.909 0.636 N 1.315 12 residues pruned to eliminate duplicates Z: 8 14.700 1.841 0.732 0.850 1.000 0.571 CB 1.291 8 residues pruned to eliminate duplicates Z: 24 9.904 1.611 0.396 0.552 0.783 0.435 CB 1.116 20 residues pruned to eliminate duplicates Z: 12 18.782 1.904 0.707 0.854 0.909 0.818 CA 1.416 12 residues pruned to eliminate duplicates Z: 12 16.358 1.897 0.542 0.882 0.909 0.909 CB 1.342 12 residues pruned to eliminate duplicates Z: 16 11.725 1.697 0.613 0.650 0.800 0.533 CB 1.202 16 residues pruned to eliminate duplicates Z: 13 12.478 1.861 0.730 0.558 0.750 0.500 CB 1.410 13 residues pruned to eliminate duplicates Z: 13 13.365 1.864 0.493 0.560 1.000 0.667 CB 1.308 13 residues pruned to eliminate duplicates Z: 11 16.397 1.885 0.691 0.689 1.000 0.400 CB 1.368 13 residues pruned to eliminate duplicates Z: 13 17.600 1.730 0.738 0.775 0.917 0.750 CB 1.446 11 residues pruned to eliminate duplicates Z: 12 21.345 1.809 0.891 0.906 1.000 0.909 CB 1.338 12 residues pruned to eliminate duplicates Z: 11 17.006 1.883 0.656 0.819 0.900 0.700 CB 1.454 11 residues pruned to eliminate duplicates Z: 11 21.900 1.908 0.796 0.900 1.000 0.900 CB 1.444 11 residues pruned to eliminate duplicates Z: 11 20.879 1.858 0.872 0.858 1.000 0.700 CA 1.398 11 residues pruned to eliminate duplicates Z: 9 7.070 1.666 0.259 0.856 0.875 0.500 N 1.005 9 residues pruned to eliminate duplicates Z: 9 6.749 1.625 0.469 0.824 0.875 0.500 N 0.863 13 residues pruned to eliminate duplicates Z: 12 11.967 1.639 0.665 0.792 0.818 0.545 N 1.250 15 residues pruned to eliminate duplicates Z: 12 11.288 1.682 0.460 0.866 0.909 0.455 N 1.116 13 residues pruned to eliminate duplicates Z: 12 11.857 1.636 0.467 0.851 1.000 0.636 N 1.102 12 residues pruned to eliminate duplicates Z: 11 12.681 1.780 0.549 0.814 0.800 0.300 N 1.383 11 residues pruned to eliminate duplicates Z: 17 10.776 1.605 0.372 0.782 0.875 0.500 N 1.090 15 residues pruned to eliminate duplicates Z: 7 7.776 1.611 0.434 0.856 0.833 0.833 CA 1.216 Z: 7 5.102 1.405 0.366 0.840 0.833 0.667 N 0.972 7 residues pruned to eliminate duplicates Z: 9 6.390 1.557 1.040 0.536 0.875 0.750 CB 0.784 Z: 6 3.481 1.665 0.578 0.282 0.800 0.600 CA 0.947 Z: 6 4.634 1.527 0.813 0.501 0.800 0.400 N 0.935 6 residues pruned to eliminate duplicates Z: 12 16.441 1.967 0.889 0.503 0.909 0.636 N 1.463 12 residues pruned to eliminate duplicates Z: 13 12.587 1.988 0.841 0.416 0.750 0.417 CB 1.446 12 residues pruned to eliminate duplicates Z: 6 2.962 1.379 0.243 0.402 1.000 1.000 CA 0.856 6 residues pruned to eliminate duplicates Z: 25 15.049 1.947 0.651 0.388 0.875 0.625 CB 1.229 25 residues pruned to eliminate duplicates Z: 31 18.210 1.936 0.631 0.411 0.833 0.500 CB 1.386 31 residues pruned to eliminate duplicates Z: 35 16.263 1.883 0.539 0.417 0.853 0.529 CB 1.230 35 residues pruned to eliminate duplicates Z: 31 22.274 1.931 0.652 0.452 0.967 0.733 CB 1.385 32 residues pruned to eliminate duplicates Z: 6 2.970 1.604 0.562 0.395 1.000 0.400 CA 0.592 6 residues pruned to eliminate duplicates Z: 11 16.895 2.069 0.767 0.648 0.900 0.500 CB 1.415 11 residues pruned to eliminate duplicates Z: 25 14.461 1.892 0.650 0.447 0.833 0.583 CB 1.199 25 residues pruned to eliminate duplicates Z: 13 13.115 1.869 0.811 0.588 0.917 0.667 CB 1.121 13 residues pruned to eliminate duplicates Z: 21 18.243 1.962 0.678 0.538 0.850 0.700 CB 1.404 21 residues pruned to eliminate duplicates Z: 20 18.732 1.970 0.647 0.469 0.947 0.789 CB 1.443 20 residues pruned to eliminate duplicates Z: 23 17.444 1.885 0.581 0.515 1.000 0.682 CB 1.230 23 residues pruned to eliminate duplicates Z: 20 22.146 1.990 0.783 0.567 0.947 0.684 CB 1.416 20 residues pruned to eliminate duplicates Z: 16 8.458 1.748 0.570 0.398 0.800 0.467 CB 1.108 16 residues pruned to eliminate duplicates Z: 13 7.213 1.710 0.387 0.392 0.833 0.667 CB 1.181 13 residues pruned to eliminate duplicates Z: 13 8.018 1.864 0.402 0.427 0.750 0.417 CB 1.273 13 residues pruned to eliminate duplicates Z: 10 11.300 1.960 0.464 0.538 0.889 0.667 CB 1.423 10 residues pruned to eliminate duplicates Z: 11 11.229 1.889 0.496 0.561 0.900 0.700 CB 1.316 11 residues pruned to eliminate duplicates Z: 26 12.343 1.804 0.613 0.392 0.720 0.520 CB 1.321 26 residues pruned to eliminate duplicates Z: 15 9.081 1.876 0.427 0.443 0.786 0.500 CB 1.224 15 residues pruned to eliminate duplicates Z: 16 9.721 1.797 0.501 0.451 0.867 0.667 CB 1.130 16 residues pruned to eliminate duplicates Z: 15 9.283 1.794 0.393 0.442 0.857 0.500 CB 1.229 15 residues pruned to eliminate duplicates Z: 25 15.403 1.944 0.644 0.506 0.833 0.583 CB 1.174 25 residues pruned to eliminate duplicates Z: 14 4.888 1.661 0.360 0.224 0.846 0.538 CB 0.980 6 residues pruned to eliminate duplicates Z: 7 2.327 1.209 0.449 0.359 0.833 0.500 O 0.758 Z: 16 18.695 1.971 0.794 0.898 0.933 0.733 CB 1.047 16 residues pruned to eliminate duplicates Z: 16 13.591 1.895 0.633 0.738 1.000 0.733 CB 0.915 16 residues pruned to eliminate duplicates Z: 14 12.669 1.982 0.536 0.738 0.923 0.615 CB 1.010 14 residues pruned to eliminate duplicates Z: 37 18.424 1.799 0.612 0.578 0.889 0.472 CB 1.105 37 residues pruned to eliminate duplicates Z: 47 20.047 1.856 0.457 0.582 0.891 0.587 CB 1.133 47 residues pruned to eliminate duplicates Z: 38 21.161 1.861 0.636 0.655 0.946 0.622 CB 1.045 38 residues pruned to eliminate duplicates Z: 15 15.604 1.965 0.680 0.768 1.000 0.714 CB 0.996 15 residues pruned to eliminate duplicates Z: 17 15.353 1.873 0.743 0.737 0.938 0.750 CB 1.013 17 residues pruned to eliminate duplicates Z: 16 17.645 1.922 0.759 0.811 1.000 0.733 CB 1.028 16 residues pruned to eliminate duplicates Z: 49 21.257 1.816 0.463 0.606 0.896 0.604 CB 1.166 49 residues pruned to eliminate duplicates Z: 25 12.842 1.900 0.371 0.586 0.833 0.500 CB 1.112 25 residues pruned to eliminate duplicates Z: 18 17.370 1.880 0.705 0.738 1.000 0.765 CB 1.061 18 residues pruned to eliminate duplicates Z: 24 13.072 1.852 0.480 0.638 0.913 0.609 CB 0.957 24 residues pruned to eliminate duplicates Z: 32 16.714 1.882 0.623 0.641 0.935 0.677 CB 0.921 32 residues pruned to eliminate duplicates Z: 39 22.533 1.860 0.587 0.684 0.974 0.711 CB 1.074 38 residues pruned to eliminate duplicates Z: 9 8.104 1.899 0.422 0.645 0.875 0.500 CB 1.059 9 residues pruned to eliminate duplicates Z: 20 15.503 1.902 0.561 0.662 0.947 0.632 CB 1.088 20 residues pruned to eliminate duplicates Z: 20 14.655 1.897 0.600 0.653 0.947 0.526 CB 1.014 20 residues pruned to eliminate duplicates Z: 12 8.791 1.795 0.497 0.596 0.909 0.455 CB 0.990 12 residues pruned to eliminate duplicates Z: 43 20.374 1.822 0.589 0.621 0.905 0.690 CB 1.071 43 residues pruned to eliminate duplicates Z: 38 18.832 1.819 0.507 0.640 0.946 0.622 CB 1.047 38 residues pruned to eliminate duplicates Z: 22 16.577 1.855 0.544 0.682 1.000 0.571 CB 1.069 22 residues pruned to eliminate duplicates Z: 21 19.110 1.865 0.717 0.672 1.000 0.500 CB 1.139 21 residues pruned to eliminate duplicates Z: 24 16.142 1.807 0.686 0.586 0.913 0.652 CB 1.114 24 residues pruned to eliminate duplicates Z: 41 17.787 1.791 0.632 0.513 0.875 0.550 CB 1.085 41 residues pruned to eliminate duplicates Z: 47 21.217 1.876 0.415 0.656 0.891 0.674 CB 1.144 47 residues pruned to eliminate duplicates Z: 26 16.558 1.817 0.488 0.635 0.880 0.600 CB 1.226 26 residues pruned to eliminate duplicates Z: 31 16.811 1.761 0.435 0.662 0.900 0.633 CB 1.162 31 residues pruned to eliminate duplicates Z: 24 14.919 1.813 0.570 0.590 0.913 0.565 CB 1.098 24 residues pruned to eliminate duplicates Z: 21 14.769 1.843 0.595 0.694 0.950 0.650 CB 0.990 21 residues pruned to eliminate duplicates Z: 41 19.924 1.805 0.458 0.643 0.875 0.625 CB 1.196 41 residues pruned to eliminate duplicates Z: 33 11.587 1.664 0.585 0.406 0.844 0.438 CB 1.016 34 residues pruned to eliminate duplicates Z: 14 19.251 1.842 0.545 0.922 1.000 0.923 CB 1.320 Z: 15 17.582 1.855 0.571 0.933 1.000 0.929 CB 1.125 15 residues pruned to eliminate duplicates Z: 14 15.987 1.859 0.522 0.903 1.000 0.846 CB 1.117 14 residues pruned to eliminate duplicates Z: 16 16.315 1.827 0.568 0.791 0.933 0.733 CB 1.221 14 residues pruned to eliminate duplicates Z: 14 13.613 1.807 0.579 0.841 0.923 0.615 CB 1.069 16 residues pruned to eliminate duplicates Z: 14 12.084 1.849 0.371 0.792 0.923 0.385 CB 1.109 14 residues pruned to eliminate duplicates Z: 12 13.168 1.730 0.669 0.835 0.909 0.818 CB 1.132 12 residues pruned to eliminate duplicates Z: 16 12.332 1.790 0.542 0.804 0.867 0.667 CB 1.021 16 residues pruned to eliminate duplicates Z: 14 14.706 1.818 0.730 0.902 0.846 0.692 CB 1.093 14 residues pruned to eliminate duplicates Z: 15 17.410 1.843 0.671 0.840 1.000 0.714 CB 1.127 15 residues pruned to eliminate duplicates Z: 32 14.149 1.779 0.643 0.478 0.839 0.387 CB 1.060 35 residues pruned to eliminate duplicates Z: 15 16.627 1.867 0.648 0.893 0.929 0.786 CB 1.116 15 residues pruned to eliminate duplicates Z: 15 14.260 1.804 0.828 0.841 0.857 0.500 CB 1.005 14 residues pruned to eliminate duplicates Z: 16 15.629 1.791 0.905 0.858 0.933 0.600 CB 0.933 16 residues pruned to eliminate duplicates Z: 9 3.390 1.705 0.628 0.255 0.500 0.375 CB 1.144 5 residues pruned to eliminate duplicates Z: 15 18.561 1.903 0.342 0.826 1.000 0.714 CB 1.465 15 residues pruned to eliminate duplicates Z: 26 18.259 1.829 0.347 0.632 0.960 0.600 CB 1.365 36 residues pruned to eliminate duplicates Z: 27 20.020 1.780 0.555 0.634 0.923 0.769 CB 1.355 27 residues pruned to eliminate duplicates Z: 25 21.791 1.806 0.541 0.665 0.958 0.667 CB 1.432 25 residues pruned to eliminate duplicates Z: 17 15.751 1.836 0.338 0.700 1.000 0.625 CB 1.336 17 residues pruned to eliminate duplicates Z: 26 19.400 1.775 0.534 0.681 0.920 0.800 CB 1.311 26 residues pruned to eliminate duplicates Z: 21 17.504 1.863 0.590 0.696 0.900 0.700 CB 1.228 21 residues pruned to eliminate duplicates Z: 21 12.990 1.816 0.244 0.542 0.950 0.650 CB 1.299 21 residues pruned to eliminate duplicates Z: 22 18.459 1.888 0.366 0.645 1.000 0.952 CB 1.364 22 residues pruned to eliminate duplicates Z: 23 18.259 1.791 0.504 0.673 0.955 0.682 CB 1.291 23 residues pruned to eliminate duplicates Z: 12 14.076 1.976 0.365 0.738 1.000 0.818 CB 1.271 12 residues pruned to eliminate duplicates Z: 23 19.789 1.812 0.703 0.623 0.955 0.682 CB 1.275 23 residues pruned to eliminate duplicates Z: 19 13.855 1.750 0.658 0.573 0.889 0.722 CB 1.179 19 residues pruned to eliminate duplicates Z: 21 16.684 1.817 0.628 0.644 0.900 0.750 CB 1.225 21 residues pruned to eliminate duplicates Z: 21 20.724 1.914 0.489 0.693 1.000 0.800 CB 1.363 21 residues pruned to eliminate duplicates Z: 9 6.778 1.748 0.476 0.479 1.000 0.750 CB 0.949 9 residues pruned to eliminate duplicates Z: 7 5.796 1.809 0.629 0.683 0.833 0.833 CB 0.815 7 residues pruned to eliminate duplicates Z: 22 10.938 1.754 0.455 0.579 0.810 0.667 CB 1.070 22 residues pruned to eliminate duplicates Z: 9 6.457 1.737 0.535 0.572 0.875 0.625 CB 0.913 9 residues pruned to eliminate duplicates Z: 15 9.660 1.737 0.489 0.580 0.929 0.643 CB 0.995 15 residues pruned to eliminate duplicates Z: 23 15.220 1.801 0.649 0.534 0.909 0.545 CB 1.162 23 residues pruned to eliminate duplicates Z: 22 12.623 1.749 0.533 0.475 0.905 0.524 CB 1.165 22 residues pruned to eliminate duplicates Z: 14 10.587 1.843 0.571 0.483 0.769 0.615 CB 1.342 14 residues pruned to eliminate duplicates Z: 16 11.045 1.846 0.508 0.530 0.733 0.667 CB 1.356 16 residues pruned to eliminate duplicates Z: 24 12.981 1.822 0.498 0.567 0.870 0.696 CB 1.068 24 residues pruned to eliminate duplicates Z: 23 14.884 1.815 0.459 0.562 0.909 0.682 CB 1.241 23 residues pruned to eliminate duplicates Z: 25 13.818 1.846 0.391 0.491 0.917 0.667 CB 1.209 25 residues pruned to eliminate duplicates Z: 7 4.121 1.649 -0.055 0.343 1.000 0.667 CB 1.281 7 residues pruned to eliminate duplicates Z: 29 11.629 1.730 0.280 0.467 0.964 0.571 CB 1.063 29 residues pruned to eliminate duplicates Z: 24 14.425 1.802 0.507 0.527 0.913 0.652 CB 1.181 24 residues pruned to eliminate duplicates Z: 12 8.347 1.833 0.358 0.408 0.909 0.727 CB 1.225 12 residues pruned to eliminate duplicates Z: 12 12.000 1.817 0.640 0.320 1.000 0.364 CA 1.481 12 residues pruned to eliminate duplicates Z: 17 7.047 1.666 0.307 0.416 0.875 0.562 CB 1.009 17 residues pruned to eliminate duplicates Z: 12 11.227 1.714 0.479 0.607 1.000 0.636 CB 1.206 10 residues pruned to eliminate duplicates Z: 17 13.565 1.671 0.600 0.836 0.875 0.562 CB 1.085 13 residues pruned to eliminate duplicates Z: 11 14.753 1.890 0.661 0.790 0.900 0.700 CB 1.281 11 residues pruned to eliminate duplicates Z: 20 16.258 1.719 0.628 0.567 0.947 0.632 CB 1.318 16 residues pruned to eliminate duplicates Z: 12 17.380 1.749 0.808 0.893 1.000 0.727 CB 1.189 12 residues pruned to eliminate duplicates Z: 12 17.961 1.842 0.823 0.778 0.909 0.727 CB 1.388 18 residues pruned to eliminate duplicates Z: 13 18.375 1.813 0.791 0.906 1.000 0.917 CB 1.162 17 residues pruned to eliminate duplicates Z: 13 15.430 1.821 0.898 0.883 0.917 0.667 CB 1.016 13 residues pruned to eliminate duplicates Z: 16 12.621 1.786 0.563 0.690 0.867 0.667 CB 1.132 15 residues pruned to eliminate duplicates Z: 15 14.152 1.746 0.631 0.734 0.929 0.643 CB 1.159 15 residues pruned to eliminate duplicates Z: 9 4.449 1.461 0.376 0.474 0.750 0.375 N 1.071 9 residues pruned to eliminate duplicates Z: 33 12.427 1.503 0.357 0.672 0.906 0.781 CB 1.014 32 residues pruned to eliminate duplicates Z: 11 14.535 1.750 0.477 0.907 1.000 0.700 CB 1.264 11 residues pruned to eliminate duplicates Z: 14 10.944 1.660 0.451 0.748 0.923 0.769 CB 1.093 14 residues pruned to eliminate duplicates Z: 15 8.145 1.562 0.308 0.563 0.929 0.643 CB 1.080 15 residues pruned to eliminate duplicates Z: 15 12.947 1.695 0.451 0.718 0.929 0.857 CB 1.244 15 residues pruned to eliminate duplicates Z: 14 12.524 1.742 0.390 0.771 0.923 0.769 CB 1.222 14 residues pruned to eliminate duplicates Z: 9 7.355 1.734 0.365 0.653 0.875 0.875 CB 1.088 9 residues pruned to eliminate duplicates Z: 21 10.879 1.816 0.207 0.481 0.850 0.800 CB 1.331 21 residues pruned to eliminate duplicates Z: 26 22.608 1.826 0.535 0.688 0.960 0.760 CB 1.414 26 residues pruned to eliminate duplicates Z: 27 20.938 1.811 0.513 0.667 0.923 0.808 CB 1.391 27 residues pruned to eliminate duplicates Z: 27 21.173 1.840 0.536 0.673 0.923 0.769 CB 1.357 27 residues pruned to eliminate duplicates Z: 27 20.998 1.817 0.606 0.672 0.923 0.808 CB 1.305 27 residues pruned to eliminate duplicates Z: 28 19.129 1.792 0.542 0.652 0.926 0.667 CB 1.249 28 residues pruned to eliminate duplicates Z: 27 22.753 1.794 0.650 0.683 0.923 0.577 CB 1.381 27 residues pruned to eliminate duplicates Z: 31 19.295 1.729 0.583 0.597 0.900 0.767 CB 1.303 31 residues pruned to eliminate duplicates Z: 27 24.483 1.809 0.558 0.732 1.000 0.654 CB 1.382 27 residues pruned to eliminate duplicates Z: 18 18.786 1.630 0.644 0.868 1.000 0.824 CB 1.243 18 residues pruned to eliminate duplicates Z: 28 22.581 1.778 0.635 0.676 0.963 0.815 CB 1.320 28 residues pruned to eliminate duplicates Z: 19 19.788 1.755 0.595 0.801 0.944 0.778 CB 1.356 19 residues pruned to eliminate duplicates Z: 26 21.934 1.818 0.567 0.679 0.960 0.720 CB 1.361 26 residues pruned to eliminate duplicates Z: 26 23.367 1.825 0.575 0.657 1.000 0.800 CB 1.405 26 residues pruned to eliminate duplicates Z: 27 19.485 1.824 0.385 0.654 0.923 0.808 CB 1.420 27 residues pruned to eliminate duplicates Z: 26 22.047 1.796 0.657 0.673 0.920 0.800 CB 1.372 26 residues pruned to eliminate duplicates Z: 27 22.419 1.822 0.662 0.688 0.923 0.769 CB 1.324 27 residues pruned to eliminate duplicates Z: 25 24.266 1.834 0.633 0.732 0.958 0.833 CB 1.401 25 residues pruned to eliminate duplicates Z: 30 19.696 1.766 0.604 0.601 0.897 0.655 CB 1.308 30 residues pruned to eliminate duplicates Z: 7 9.310 1.950 0.731 0.797 0.667 0.167 CB 1.303 7 residues pruned to eliminate duplicates Z: 11 21.100 1.927 0.678 0.871 1.000 0.800 N 1.506 11 residues pruned to eliminate duplicates Z: 10 19.918 1.999 0.638 0.864 1.000 0.778 CB 1.487 10 residues pruned to eliminate duplicates Z: 13 9.972 1.776 0.637 0.583 0.750 0.500 CB 1.219 12 residues pruned to eliminate duplicates Z: 13 20.501 1.811 0.649 0.885 1.000 0.917 CB 1.431 13 residues pruned to eliminate duplicates Z: 10 16.735 1.901 0.842 0.853 0.889 0.889 CB 1.325 12 residues pruned to eliminate duplicates Z: 11 18.165 1.983 0.482 0.868 0.900 0.800 CB 1.587 10 residues pruned to eliminate duplicates Z: 12 17.301 1.868 0.564 0.797 1.000 0.545 CB 1.377 12 residues pruned to eliminate duplicates Z: 12 15.219 1.952 0.427 0.819 0.909 0.727 CB 1.374 12 residues pruned to eliminate duplicates Z: 11 25.306 1.913 0.933 0.919 1.000 0.800 N 1.525 12 residues pruned to eliminate duplicates Z: 6 4.101 1.774 0.484 0.539 0.600 0.200 N 1.118 5 residues pruned to eliminate duplicates 452 residues left after pruning, divided into chains as follows: A: 6 B: 21 C: 15 D: 22 E: 8 F: 41 G: 77 H: 16 I: 12 J: 12 K: 30 L: 33 M: 87 N: 13 O: 46 P: 13 CC for partial structure against native data = 31.94 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.494, Connect. = 0.727 for dens.mod. cycle 1 = 0.300, Contrast = 0.575, Connect. = 0.751 for dens.mod. cycle 2 = 0.300, Contrast = 0.680, Connect. = 0.778 for dens.mod. cycle 3 = 0.300, Contrast = 0.696, Connect. = 0.781 for dens.mod. cycle 4 = 0.300, Contrast = 0.706, Connect. = 0.783 for dens.mod. cycle 5 = 0.300, Contrast = 0.711, Connect. = 0.785 for dens.mod. cycle 6 = 0.300, Contrast = 0.713, Connect. = 0.787 for dens.mod. cycle 7 = 0.300, Contrast = 0.715, Connect. = 0.789 for dens.mod. cycle 8 = 0.300, Contrast = 0.715, Connect. = 0.790 for dens.mod. cycle 9 = 0.300, Contrast = 0.715, Connect. = 0.790 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2362 peaks > 0.5 sigma used to seed fragment search Space for about 918 unique residues taking solvent into account 549 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 8 5.276 1.904 0.763 0.422 0.571 0.571 CB 1.127 B: 11 20.014 1.893 0.573 0.812 1.000 0.800 CB 1.621 C: 12 16.717 1.846 0.330 0.879 1.000 0.818 CB 1.489 D: 19 13.882 1.966 0.430 0.683 0.833 0.667 CB 1.181 8 residues pruned to eliminate duplicates E: 18 23.236 1.861 0.619 0.846 0.941 0.706 CB 1.477 F: 11 13.934 1.865 0.327 0.911 1.000 1.000 CB 1.262 11 residues pruned to eliminate duplicates G: 16 19.876 1.913 0.570 0.807 0.933 0.800 CB 1.401 11 residues pruned to eliminate duplicates H: 17 24.611 2.068 0.538 0.948 0.938 0.938 CB 1.424 I: 13 14.197 1.860 0.775 0.571 0.917 0.667 CB 1.265 J: 23 13.554 1.875 0.530 0.619 0.955 0.727 CB 0.943 K: 18 27.276 2.061 0.731 0.835 0.941 0.765 CB 1.476 17 residues pruned to eliminate duplicates L: 15 27.804 2.018 0.799 0.874 1.000 0.786 CB 1.490 16 residues pruned to eliminate duplicates M: 39 17.524 1.862 0.625 0.442 0.868 0.579 CB 1.149 N: 16 12.722 1.737 0.377 0.857 0.933 0.867 CB 1.085 13 residues pruned to eliminate duplicates O: 16 25.080 2.035 0.565 0.923 1.000 0.933 CB 1.429 16 residues pruned to eliminate duplicates P: 11 20.889 1.875 0.829 0.800 1.000 0.800 CB 1.482 12 residues pruned to eliminate duplicates Q: 18 27.064 2.062 0.534 0.899 1.000 0.882 CB 1.483 18 residues pruned to eliminate duplicates R: 14 28.964 2.112 0.684 0.910 1.000 0.769 CB 1.602 14 residues pruned to eliminate duplicates S: 16 13.062 1.852 0.644 0.527 0.933 0.600 CB 1.156 T: 15 11.802 1.857 0.619 0.512 0.929 0.571 CB 1.116 15 residues pruned to eliminate duplicates U: 10 13.109 1.811 0.752 0.516 1.000 0.556 N 1.355 9 residues pruned to eliminate duplicates V: 16 16.264 1.912 0.594 0.514 0.933 0.733 CB 1.455 W: 25 28.084 2.025 0.710 0.689 0.917 0.750 CB 1.519 15 residues pruned to eliminate duplicates X: 17 7.776 1.691 0.531 0.466 0.812 0.312 CB 0.957 Y: 15 11.565 1.923 0.544 0.452 1.000 0.714 CB 1.094 15 residues pruned to eliminate duplicates Z: 11 21.387 2.012 0.777 0.872 1.000 0.700 CB 1.379 Z: 22 16.813 1.848 0.623 0.715 0.810 0.667 CB 1.244 25 residues pruned to eliminate duplicates Z: 12 4.508 1.735 0.206 0.206 0.727 0.273 CB 1.265 12 residues pruned to eliminate duplicates Z: 15 11.672 1.832 0.634 0.822 0.929 0.714 CB 0.849 14 residues pruned to eliminate duplicates Z: 19 18.056 1.759 0.788 0.929 1.000 0.944 CB 0.947 Z: 17 25.354 1.898 0.650 0.852 1.000 0.875 CB 1.496 17 residues pruned to eliminate duplicates Z: 16 13.571 1.606 0.476 0.884 1.000 0.867 CB 1.068 Z: 16 19.154 1.897 0.440 0.849 0.933 0.667 CB 1.438 16 residues pruned to eliminate duplicates Z: 22 25.874 2.079 0.396 0.823 1.000 0.810 CB 1.470 18 residues pruned to eliminate duplicates Z: 16 12.564 1.848 0.843 0.574 0.867 0.667 CB 1.023 16 residues pruned to eliminate duplicates Z: 13 15.808 1.679 0.900 0.856 1.000 0.667 CB 1.055 Z: 12 19.850 1.878 0.999 0.882 1.000 0.818 CB 1.154 12 residues pruned to eliminate duplicates Z: 19 12.939 1.824 0.471 0.518 0.889 0.444 CB 1.256 19 residues pruned to eliminate duplicates Z: 44 24.248 1.902 0.510 0.711 0.953 0.721 CB 1.115 48 residues pruned to eliminate duplicates Z: 19 23.446 1.948 0.391 0.903 1.000 0.944 CB 1.454 19 residues pruned to eliminate duplicates Z: 12 10.710 1.865 0.255 0.882 0.909 0.818 CB 1.098 12 residues pruned to eliminate duplicates Z: 11 3.795 1.890 0.109 0.351 0.700 0.400 CB 0.961 11 residues pruned to eliminate duplicates Z: 12 15.436 1.799 0.478 0.731 0.909 0.818 CB 1.564 12 residues pruned to eliminate duplicates Z: 11 8.330 1.830 0.411 0.871 1.000 0.800 CB 0.744 Z: 13 12.199 1.735 0.262 0.895 1.000 0.833 CB 1.153 13 residues pruned to eliminate duplicates Z: 12 16.558 1.743 0.810 0.829 1.000 0.455 CB 1.191 12 residues pruned to eliminate duplicates Z: 18 12.842 2.002 0.127 0.656 0.882 0.706 CB 1.353 18 residues pruned to eliminate duplicates Z: 18 19.471 1.838 0.704 0.944 1.000 0.882 CB 1.045 18 residues pruned to eliminate duplicates Z: 24 14.419 1.788 0.607 0.496 0.826 0.609 N 1.271 24 residues pruned to eliminate duplicates Z: 6 8.608 1.872 0.583 0.590 0.800 0.400 CB 1.490 Z: 7 4.996 1.721 0.404 0.540 0.667 0.667 CB 1.217 Z: 18 16.116 1.799 0.706 0.907 0.941 0.765 CB 0.962 18 residues pruned to eliminate duplicates Z: 18 15.808 1.825 0.447 0.788 0.882 0.765 CB 1.277 18 residues pruned to eliminate duplicates Z: 23 9.069 1.687 0.427 0.323 0.773 0.455 O 1.263 Z: 15 10.603 1.783 0.338 0.440 0.929 0.357 CB 1.362 Z: 9 9.745 1.862 0.503 0.594 0.875 0.625 CB 1.286 16 residues pruned to eliminate duplicates Z: 12 14.712 1.942 0.590 0.882 1.000 1.000 CB 1.040 Z: 12 22.902 1.907 0.747 0.888 1.000 0.818 CA 1.493 11 residues pruned to eliminate duplicates Z: 13 13.598 1.983 0.487 0.536 1.000 0.667 CB 1.285 20 residues pruned to eliminate duplicates Z: 13 22.168 1.908 0.722 0.904 1.000 1.000 CA 1.387 12 residues pruned to eliminate duplicates Z: 17 10.657 1.820 0.572 0.381 0.812 0.625 CB 1.301 16 residues pruned to eliminate duplicates Z: 14 10.419 1.896 0.624 0.417 0.923 0.615 CB 1.109 14 residues pruned to eliminate duplicates Z: 12 13.757 1.826 0.354 0.847 1.000 0.636 CB 1.246 Z: 11 6.956 1.836 0.408 0.458 0.900 0.600 CB 0.986 11 residues pruned to eliminate duplicates Z: 25 28.060 2.021 0.826 0.665 0.917 0.625 CB 1.453 25 residues pruned to eliminate duplicates Z: 12 17.417 1.859 0.875 0.807 0.909 0.727 N 1.268 12 residues pruned to eliminate duplicates Z: 14 17.974 1.870 0.779 0.911 1.000 1.000 CB 1.062 12 residues pruned to eliminate duplicates Z: 16 20.124 1.744 1.105 0.913 1.000 0.533 CB 1.002 13 residues pruned to eliminate duplicates Z: 10 17.536 1.942 0.597 0.854 1.000 0.556 CB 1.392 10 residues pruned to eliminate duplicates Z: 25 24.544 1.897 0.683 0.640 1.000 0.708 CB 1.377 19 residues pruned to eliminate duplicates Z: 25 16.698 1.692 0.387 0.727 0.958 0.708 CB 1.236 Z: 12 22.855 1.885 0.731 0.888 1.000 0.909 CB 1.522 12 residues pruned to eliminate duplicates Z: 11 9.051 1.688 0.972 0.811 0.900 0.600 CB 0.728 11 residues pruned to eliminate duplicates Z: 26 23.285 1.845 0.557 0.740 0.960 0.840 CB 1.362 12 residues pruned to eliminate duplicates Z: 13 4.280 1.717 0.329 0.791 0.833 0.667 CB 0.503 13 residues pruned to eliminate duplicates Z: 9 18.531 1.954 0.647 0.890 1.000 0.875 CB 1.465 9 residues pruned to eliminate duplicates Z: 27 16.553 1.899 0.685 0.608 0.885 0.692 CB 1.035 14 residues pruned to eliminate duplicates Z: 17 17.619 1.764 0.588 0.913 1.000 0.750 CB 1.113 17 residues pruned to eliminate duplicates Z: 11 5.025 1.757 0.261 0.478 0.800 0.400 CB 0.916 Z: 16 22.335 1.881 0.713 0.805 0.933 0.733 CB 1.470 16 residues pruned to eliminate duplicates Z: 13 11.888 1.693 0.333 0.819 0.917 0.750 CB 1.257 Z: 18 16.423 1.894 0.509 0.541 0.941 0.706 CB 1.423 16 residues pruned to eliminate duplicates Z: 11 12.532 1.809 0.810 0.847 1.000 0.900 CB 0.898 11 residues pruned to eliminate duplicates Z: 15 22.575 2.029 0.527 0.864 1.000 0.857 CB 1.428 15 residues pruned to eliminate duplicates Z: 13 24.006 1.891 0.832 0.909 1.000 0.917 CB 1.420 13 residues pruned to eliminate duplicates Z: 15 26.895 1.999 0.726 0.873 1.000 0.929 CB 1.517 15 residues pruned to eliminate duplicates Z: 16 12.675 1.837 0.667 0.496 0.867 0.400 CB 1.238 16 residues pruned to eliminate duplicates Z: 19 20.360 1.779 0.652 0.807 0.944 0.667 CB 1.323 19 residues pruned to eliminate duplicates Z: 16 15.627 1.785 0.260 0.878 1.000 0.933 CB 1.302 16 residues pruned to eliminate duplicates Z: 8 8.478 1.816 0.145 0.872 0.857 0.857 N 1.310 Z: 17 27.253 1.991 0.720 0.885 1.000 0.812 CB 1.437 17 residues pruned to eliminate duplicates Z: 11 15.451 1.857 0.418 0.848 0.900 0.800 CB 1.529 13 residues pruned to eliminate duplicates Z: 22 14.226 1.826 0.655 0.506 0.857 0.619 CB 1.191 22 residues pruned to eliminate duplicates Z: 7 8.576 1.799 0.546 0.477 1.000 0.500 CB 1.289 Z: 12 13.341 1.693 0.342 0.848 1.000 0.636 CB 1.314 12 residues pruned to eliminate duplicates Z: 6 4.502 1.502 0.446 0.573 1.000 0.800 CB 0.864 Z: 18 9.254 1.820 0.395 0.424 0.824 0.588 CB 1.161 20 residues pruned to eliminate duplicates Z: 18 8.031 1.833 0.286 0.359 0.824 0.412 CB 1.167 18 residues pruned to eliminate duplicates Z: 24 18.303 1.990 0.526 0.620 0.913 0.652 CB 1.229 25 residues pruned to eliminate duplicates Z: 19 19.213 1.997 0.669 0.576 1.000 0.667 CB 1.263 19 residues pruned to eliminate duplicates Z: 12 9.008 1.858 0.297 0.916 0.909 0.636 CB 0.875 12 residues pruned to eliminate duplicates Z: 6 7.161 1.930 0.702 0.327 0.800 0.400 CA 1.473 Z: 11 17.449 1.921 0.435 0.833 1.000 0.800 CB 1.502 10 residues pruned to eliminate duplicates Z: 17 27.133 2.040 0.853 0.883 1.000 0.812 CB 1.297 17 residues pruned to eliminate duplicates Z: 17 11.256 1.621 0.512 0.751 0.875 0.688 CB 1.050 8 residues pruned to eliminate duplicates Z: 16 11.249 1.830 0.662 0.394 0.933 0.733 CB 1.145 16 residues pruned to eliminate duplicates Z: 7 7.608 1.708 0.568 0.660 0.833 0.833 CB 1.200 Z: 24 19.044 1.883 0.578 0.735 0.957 0.696 CB 1.131 35 residues pruned to eliminate duplicates Z: 17 21.951 2.038 0.318 0.891 1.000 0.875 CB 1.468 17 residues pruned to eliminate duplicates Z: 12 10.276 1.762 0.213 0.861 1.000 0.818 CB 1.065 12 residues pruned to eliminate duplicates Z: 11 16.494 1.914 0.852 0.936 1.000 1.000 CB 1.025 11 residues pruned to eliminate duplicates Z: 11 22.706 2.030 0.669 0.925 1.000 1.000 CB 1.488 11 residues pruned to eliminate duplicates Z: 16 29.046 1.961 0.909 0.878 1.000 0.800 CB 1.454 16 residues pruned to eliminate duplicates Z: 8 7.578 1.521 0.730 0.604 1.000 0.857 CB 0.986 Z: 15 27.513 2.039 0.795 0.874 0.929 0.857 CB 1.576 15 residues pruned to eliminate duplicates Z: 8 5.333 1.545 0.180 0.811 0.857 0.714 CB 0.984 7 residues pruned to eliminate duplicates Z: 15 16.681 1.797 0.237 0.907 1.000 1.000 CB 1.426 15 residues pruned to eliminate duplicates Z: 9 6.385 1.826 0.498 0.471 0.750 0.750 CB 1.134 9 residues pruned to eliminate duplicates Z: 9 6.958 1.584 0.245 0.562 0.875 0.750 N 1.342 Z: 13 11.065 1.629 0.318 0.800 0.917 0.667 CB 1.248 10 residues pruned to eliminate duplicates Z: 12 16.300 1.921 0.838 0.897 1.000 0.909 CB 0.996 12 residues pruned to eliminate duplicates Z: 12 25.427 1.912 0.935 0.916 1.000 0.818 N 1.463 12 residues pruned to eliminate duplicates Z: 12 16.884 1.967 0.390 0.872 1.000 1.000 CB 1.357 12 residues pruned to eliminate duplicates Z: 12 5.303 1.715 0.322 0.260 0.818 0.636 N 1.134 12 residues pruned to eliminate duplicates Z: 16 22.358 1.904 0.610 0.850 0.933 0.600 CB 1.495 16 residues pruned to eliminate duplicates Z: 15 16.287 1.680 0.662 0.916 1.000 0.857 CB 1.101 17 residues pruned to eliminate duplicates Z: 6 5.433 1.820 0.291 0.547 0.800 0.600 CB 1.235 6 residues pruned to eliminate duplicates Z: 7 8.649 1.774 0.495 0.620 0.833 0.500 N 1.425 Z: 8 7.505 1.690 0.393 0.604 0.857 0.429 CB 1.273 9 residues pruned to eliminate duplicates Z: 10 10.240 1.756 0.182 0.836 1.000 0.444 CB 1.231 10 residues pruned to eliminate duplicates Z: 6 9.549 1.951 0.365 0.718 1.000 0.600 CB 1.316 6 residues pruned to eliminate duplicates Z: 12 10.244 1.833 0.579 0.561 0.818 0.727 CB 1.229 12 residues pruned to eliminate duplicates Z: 35 20.558 1.963 0.578 0.570 0.882 0.588 CB 1.206 37 residues pruned to eliminate duplicates Z: 14 11.294 1.722 0.174 0.724 0.923 0.692 CB 1.371 14 residues pruned to eliminate duplicates Z: 13 25.020 1.934 0.823 0.909 1.000 0.833 CB 1.454 13 residues pruned to eliminate duplicates Z: 13 7.003 1.498 0.433 0.651 0.917 0.333 CB 0.893 13 residues pruned to eliminate duplicates Z: 15 16.358 1.833 0.549 0.899 1.000 0.786 CB 1.100 15 residues pruned to eliminate duplicates Z: 19 16.968 1.865 0.567 0.639 0.889 0.833 CB 1.352 19 residues pruned to eliminate duplicates Z: 18 25.723 2.030 0.571 0.925 1.000 0.941 CB 1.372 18 residues pruned to eliminate duplicates Z: 14 21.067 1.801 0.957 0.901 1.000 0.538 CB 1.183 16 residues pruned to eliminate duplicates Z: 9 9.900 1.871 0.439 0.584 0.875 0.375 CB 1.371 8 residues pruned to eliminate duplicates Z: 13 14.632 1.948 0.777 0.495 1.000 0.667 CB 1.226 13 residues pruned to eliminate duplicates Z: 11 11.189 1.692 0.823 0.644 0.900 0.700 CB 1.114 11 residues pruned to eliminate duplicates Z: 14 10.319 1.717 0.539 0.547 0.846 0.615 CB 1.223 16 residues pruned to eliminate duplicates Z: 51 22.544 1.899 0.386 0.582 0.920 0.580 CB 1.217 51 residues pruned to eliminate duplicates Z: 12 9.873 1.670 0.161 0.828 0.909 0.818 CB 1.272 12 residues pruned to eliminate duplicates Z: 29 20.094 2.005 0.711 0.466 0.893 0.643 CB 1.284 29 residues pruned to eliminate duplicates Z: 18 16.395 1.751 0.374 0.850 0.941 0.824 CB 1.300 18 residues pruned to eliminate duplicates Z: 12 14.317 1.891 0.302 0.886 1.000 0.636 CB 1.265 12 residues pruned to eliminate duplicates Z: 11 9.025 1.910 0.523 0.527 0.800 0.600 CB 1.194 11 residues pruned to eliminate duplicates Z: 13 10.159 1.882 0.494 0.551 0.917 0.583 CB 1.082 13 residues pruned to eliminate duplicates Z: 15 17.355 1.947 0.109 0.886 1.000 0.714 CB 1.551 15 residues pruned to eliminate duplicates Z: 12 20.618 2.073 0.696 0.865 1.000 0.909 CB 1.295 12 residues pruned to eliminate duplicates Z: 7 3.364 1.445 0.191 0.394 0.833 0.833 CB 1.072 Z: 8 4.956 1.585 0.220 0.426 0.857 0.571 CB 1.220 Z: 8 3.799 1.415 -0.091 0.520 1.000 0.429 CB 1.095 Z: 27 20.897 1.774 0.615 0.659 0.923 0.769 CB 1.337 27 residues pruned to eliminate duplicates Z: 16 15.011 1.828 0.525 0.882 0.933 0.733 CB 1.079 16 residues pruned to eliminate duplicates Z: 26 23.730 1.805 0.664 0.707 0.960 0.840 CB 1.363 26 residues pruned to eliminate duplicates Z: 21 17.641 1.905 0.420 0.551 0.900 0.500 CB 1.543 19 residues pruned to eliminate duplicates Z: 11 4.322 1.691 0.337 0.462 0.800 0.600 CB 0.786 5 residues pruned to eliminate duplicates Z: 10 6.986 1.785 0.340 0.505 0.778 0.667 CB 1.245 10 residues pruned to eliminate duplicates Z: 8 3.027 1.767 0.324 0.402 0.571 0.429 CB 0.949 Z: 27 14.672 1.820 0.457 0.453 0.846 0.500 CB 1.346 27 residues pruned to eliminate duplicates Z: 12 18.746 1.751 0.995 0.818 1.000 0.636 CB 1.228 12 residues pruned to eliminate duplicates Z: 17 6.761 1.667 0.595 0.361 0.812 0.500 CB 0.909 17 residues pruned to eliminate duplicates Z: 7 4.824 1.900 0.515 0.420 0.833 0.333 CB 0.892 Z: 12 16.493 1.866 0.469 0.857 1.000 0.727 CB 1.338 12 residues pruned to eliminate duplicates Z: 25 16.649 1.861 0.554 0.491 0.833 0.667 CB 1.423 25 residues pruned to eliminate duplicates Z: 9 4.432 1.487 0.023 0.447 1.000 0.375 N 1.088 9 residues pruned to eliminate duplicates Z: 29 23.754 1.821 0.706 0.584 1.000 0.607 CB 1.334 28 residues pruned to eliminate duplicates Z: 20 15.947 1.687 0.558 0.782 0.895 0.632 N 1.214 20 residues pruned to eliminate duplicates Z: 18 13.862 1.658 0.329 0.780 0.941 0.882 CB 1.266 18 residues pruned to eliminate duplicates Z: 12 7.240 1.825 0.094 0.560 0.818 0.545 CB 1.260 12 residues pruned to eliminate duplicates Z: 12 12.615 1.757 1.081 0.890 1.000 0.545 CB 0.748 12 residues pruned to eliminate duplicates Z: 8 4.895 1.589 0.638 0.574 0.857 0.857 CB 0.772 8 residues pruned to eliminate duplicates Z: 13 12.576 1.924 0.632 0.611 0.833 0.667 CB 1.249 13 residues pruned to eliminate duplicates Z: 10 5.967 1.728 0.364 0.309 0.889 0.444 CB 1.174 10 residues pruned to eliminate duplicates Z: 19 16.936 1.933 0.608 0.530 0.944 0.722 CB 1.321 19 residues pruned to eliminate duplicates Z: 19 14.866 1.770 0.452 0.889 0.944 0.833 CB 1.039 19 residues pruned to eliminate duplicates Z: 25 19.362 1.929 0.693 0.631 0.917 0.625 CB 1.168 25 residues pruned to eliminate duplicates Z: 16 28.779 2.040 1.008 0.913 1.000 0.800 CB 1.284 16 residues pruned to eliminate duplicates Z: 13 7.092 1.619 0.516 0.792 1.000 0.667 CB 0.646 Z: 12 12.955 1.739 0.470 0.714 1.000 0.727 CB 1.259 12 residues pruned to eliminate duplicates Z: 27 17.023 1.895 0.571 0.515 0.808 0.692 CB 1.368 30 residues pruned to eliminate duplicates Z: 7 3.685 1.780 0.048 0.544 0.833 0.500 CB 0.926 Z: 16 10.888 1.786 0.259 0.666 0.933 0.800 CB 1.149 16 residues pruned to eliminate duplicates Z: 6 3.408 1.548 0.348 0.295 0.800 0.600 CB 1.148 Z: 29 23.150 1.740 0.710 0.679 1.000 0.607 CB 1.247 27 residues pruned to eliminate duplicates Z: 17 15.490 1.738 0.458 0.780 0.875 0.625 CB 1.365 17 residues pruned to eliminate duplicates Z: 12 16.140 1.733 0.854 0.844 0.909 0.727 CB 1.239 12 residues pruned to eliminate duplicates Z: 13 12.826 1.631 0.539 0.866 1.000 0.917 CB 1.080 13 residues pruned to eliminate duplicates Z: 44 17.253 1.777 0.495 0.535 0.860 0.581 CB 1.113 44 residues pruned to eliminate duplicates Z: 31 15.077 1.916 0.480 0.375 0.900 0.567 CB 1.232 31 residues pruned to eliminate duplicates Z: 12 13.737 1.868 0.635 0.830 0.909 0.455 CB 1.121 12 residues pruned to eliminate duplicates Z: 14 15.936 1.830 1.050 0.866 0.846 0.692 CB 1.019 15 residues pruned to eliminate duplicates Z: 10 5.755 1.673 0.186 0.381 0.778 0.444 O 1.411 10 residues pruned to eliminate duplicates Z: 17 15.888 1.777 0.563 0.879 0.938 0.750 CB 1.106 17 residues pruned to eliminate duplicates Z: 15 6.141 1.691 0.349 0.567 0.786 0.571 CB 0.858 14 residues pruned to eliminate duplicates Z: 6 6.764 1.855 0.419 0.800 1.000 0.800 CB 0.884 Z: 12 16.473 1.870 0.492 0.841 0.909 0.818 CA 1.460 12 residues pruned to eliminate duplicates Z: 13 17.048 1.919 0.785 0.450 1.000 0.667 CB 1.512 18 residues pruned to eliminate duplicates Z: 15 18.713 1.818 0.466 0.904 1.000 0.929 CB 1.336 15 residues pruned to eliminate duplicates Z: 14 10.135 1.811 0.343 0.468 0.923 0.462 CB 1.294 6 residues pruned to eliminate duplicates Z: 17 12.942 1.750 0.440 0.826 0.812 0.688 CB 1.191 17 residues pruned to eliminate duplicates Z: 7 3.192 1.467 0.075 0.568 1.000 0.833 CB 0.773 Z: 15 16.616 1.803 0.606 0.899 1.000 0.929 CB 1.096 14 residues pruned to eliminate duplicates Z: 10 3.775 1.473 0.340 0.350 0.889 0.556 CB 0.843 8 residues pruned to eliminate duplicates Z: 12 14.582 1.772 0.490 0.900 1.000 0.455 CB 1.189 13 residues pruned to eliminate duplicates Z: 11 16.631 1.926 0.885 0.902 1.000 0.800 CB 1.034 11 residues pruned to eliminate duplicates Z: 10 13.486 1.683 0.638 0.844 1.000 0.778 N 1.213 10 residues pruned to eliminate duplicates Z: 25 11.766 1.753 0.318 0.516 0.917 0.625 CB 1.116 18 residues pruned to eliminate duplicates Z: 14 20.709 1.863 0.529 0.861 1.000 0.769 CB 1.482 14 residues pruned to eliminate duplicates Z: 12 9.274 1.755 0.206 0.763 0.818 0.818 CB 1.278 12 residues pruned to eliminate duplicates Z: 18 17.392 1.742 0.430 0.820 0.941 0.882 CB 1.363 18 residues pruned to eliminate duplicates Z: 10 13.271 1.802 0.572 0.570 0.889 0.667 O 1.642 14 residues pruned to eliminate duplicates Z: 16 20.378 1.898 0.366 0.872 1.000 0.800 CA 1.480 16 residues pruned to eliminate duplicates Z: 20 22.194 1.794 0.892 0.874 1.000 0.579 CB 1.091 20 residues pruned to eliminate duplicates Z: 20 9.876 1.671 0.336 0.573 0.947 0.632 CB 0.998 20 residues pruned to eliminate duplicates Z: 26 27.982 1.977 0.737 0.638 0.920 0.720 CB 1.556 28 residues pruned to eliminate duplicates Z: 10 3.612 1.686 0.628 0.558 0.778 0.556 CB 0.533 Z: 6 2.522 1.775 0.550 0.869 1.000 0.800 CB 0.300 Z: 13 16.934 1.897 0.382 0.899 1.000 0.917 CB 1.333 11 residues pruned to eliminate duplicates Z: 25 21.604 1.943 0.876 0.651 0.917 0.542 CB 1.147 25 residues pruned to eliminate duplicates Z: 15 24.251 2.067 0.623 0.871 0.929 0.857 CB 1.518 15 residues pruned to eliminate duplicates Z: 8 11.666 1.884 0.742 0.639 1.000 0.857 CB 1.179 8 residues pruned to eliminate duplicates Z: 11 9.427 1.731 0.676 0.866 0.900 0.900 CB 0.836 11 residues pruned to eliminate duplicates Z: 17 16.954 1.838 0.167 0.916 1.000 1.000 CB 1.395 17 residues pruned to eliminate duplicates Z: 17 9.420 1.806 0.306 0.388 0.875 0.688 CB 1.284 17 residues pruned to eliminate duplicates Z: 6 7.015 1.646 0.498 0.646 0.800 0.600 N 1.388 6 residues pruned to eliminate duplicates Z: 7 3.310 1.462 0.481 0.429 0.833 0.500 CB 0.806 Z: 6 2.365 1.602 0.201 0.480 0.600 0.400 CB 0.936 Z: 17 12.474 1.581 0.406 0.848 1.000 0.688 CB 1.041 16 residues pruned to eliminate duplicates Z: 9 8.803 1.630 0.568 0.692 1.000 0.750 CB 1.022 Z: 8 7.297 1.820 0.370 0.763 1.000 0.857 CB 0.876 Z: 10 13.807 1.872 0.239 0.853 1.000 0.889 N 1.467 10 residues pruned to eliminate duplicates Z: 11 16.354 1.821 0.476 0.866 1.000 0.800 CB 1.408 11 residues pruned to eliminate duplicates Z: 6 4.554 1.526 0.487 0.445 1.000 0.600 CB 0.951 Z: 8 2.331 1.494 0.266 0.232 0.714 0.429 CA 0.890 Z: 12 7.152 1.745 0.319 0.545 0.818 0.727 CB 1.096 11 residues pruned to eliminate duplicates Z: 13 8.420 1.623 0.408 0.796 0.750 0.667 CB 1.095 13 residues pruned to eliminate duplicates Z: 11 3.302 1.593 0.490 0.291 0.700 0.600 CB 0.794 Z: 6 3.493 1.660 0.470 0.817 1.000 1.000 CB 0.486 6 residues pruned to eliminate duplicates Z: 7 4.419 1.645 0.012 0.868 1.000 0.833 CB 0.792 7 residues pruned to eliminate duplicates Z: 9 3.005 1.297 0.830 0.241 0.750 0.500 N 0.806 Z: 23 19.316 2.001 0.719 0.672 0.864 0.591 CB 1.183 23 residues pruned to eliminate duplicates Z: 12 5.372 1.637 0.332 0.864 1.000 0.727 CB 0.544 12 residues pruned to eliminate duplicates Z: 18 13.667 1.795 0.553 0.488 0.941 0.529 CB 1.279 18 residues pruned to eliminate duplicates Z: 17 13.006 1.523 0.397 0.837 0.938 0.625 CB 1.220 15 residues pruned to eliminate duplicates Z: 31 19.911 1.855 0.683 0.695 0.933 0.500 CB 1.044 31 residues pruned to eliminate duplicates Z: 50 23.751 1.932 0.318 0.670 0.898 0.694 CB 1.268 50 residues pruned to eliminate duplicates Z: 13 13.072 1.676 0.363 0.905 1.000 0.917 CB 1.176 13 residues pruned to eliminate duplicates Z: 15 12.560 1.735 0.483 0.598 0.929 0.643 CB 1.279 11 residues pruned to eliminate duplicates Z: 12 18.521 1.880 0.572 0.807 0.909 0.909 CA 1.591 14 residues pruned to eliminate duplicates Z: 18 18.800 1.652 0.859 0.886 0.941 0.706 CB 1.138 18 residues pruned to eliminate duplicates Z: 8 9.643 1.766 0.418 0.835 0.857 0.857 O 1.272 8 residues pruned to eliminate duplicates Z: 13 10.225 1.776 0.616 0.584 0.833 0.667 CB 1.138 13 residues pruned to eliminate duplicates Z: 9 12.946 1.921 0.812 0.663 0.875 0.750 CB 1.292 9 residues pruned to eliminate duplicates Z: 6 4.778 1.550 0.661 0.773 1.000 0.600 CB 0.652 7 residues pruned to eliminate duplicates Z: 8 6.888 1.783 0.304 0.601 0.857 0.714 CB 1.186 Z: 6 3.059 1.107 0.387 0.476 1.000 0.600 O 0.912 Z: 13 4.866 1.763 0.141 0.262 0.667 0.250 CB 1.374 13 residues pruned to eliminate duplicates Z: 11 7.944 1.636 0.679 0.617 0.700 0.500 CB 1.170 11 residues pruned to eliminate duplicates Z: 12 12.495 1.789 0.676 0.893 1.000 0.909 CB 0.901 12 residues pruned to eliminate duplicates Z: 8 8.689 1.755 0.828 0.902 1.000 1.000 CB 0.730 Z: 10 19.272 1.949 0.962 0.894 1.000 0.667 CB 1.205 10 residues pruned to eliminate duplicates Z: 14 17.234 1.736 0.830 0.914 1.000 0.692 CB 1.064 14 residues pruned to eliminate duplicates Z: 38 17.862 1.728 0.387 0.560 0.946 0.784 CB 1.221 38 residues pruned to eliminate duplicates Z: 11 12.004 1.849 0.626 0.861 1.000 0.800 CB 0.928 11 residues pruned to eliminate duplicates Z: 12 18.525 1.850 0.843 0.888 0.909 0.909 CB 1.298 12 residues pruned to eliminate duplicates Z: 50 31.184 1.970 0.507 0.659 0.939 0.653 CB 1.380 75 residues pruned to eliminate duplicates Z: 10 4.673 1.702 0.240 0.296 0.778 0.556 CB 1.194 7 residues pruned to eliminate duplicates Z: 6 6.617 1.617 0.342 0.516 1.000 0.600 N 1.342 6 residues pruned to eliminate duplicates Z: 13 6.513 1.667 0.317 0.417 0.833 0.667 CB 1.120 Z: 31 20.023 1.964 0.582 0.419 0.900 0.600 CB 1.422 31 residues pruned to eliminate duplicates Z: 17 21.526 1.754 0.646 0.877 1.000 0.812 CB 1.353 17 residues pruned to eliminate duplicates Z: 14 9.889 1.914 0.175 0.919 1.000 0.923 CB 0.859 14 residues pruned to eliminate duplicates Z: 16 8.970 1.655 0.880 0.871 0.933 0.467 CB 0.582 Z: 6 2.907 1.355 0.323 0.600 1.000 1.000 CB 0.659 Z: 19 9.964 1.715 0.436 0.342 0.944 0.556 CB 1.198 19 residues pruned to eliminate duplicates Z: 16 22.546 1.986 0.489 0.868 1.000 0.867 CB 1.439 Z: 7 7.597 1.587 0.444 0.582 1.000 0.667 CB 1.252 8 residues pruned to eliminate duplicates Z: 7 8.443 1.601 0.900 0.745 1.000 0.833 CB 0.910 Z: 7 3.867 1.445 0.188 0.404 1.000 0.667 O 1.017 Z: 10 13.121 1.912 0.549 0.699 0.889 0.889 CB 1.385 10 residues pruned to eliminate duplicates Z: 17 33.809 2.058 1.018 0.934 1.000 0.875 CB 1.420 17 residues pruned to eliminate duplicates Z: 21 13.681 1.756 0.604 0.584 0.900 0.600 CB 1.114 21 residues pruned to eliminate duplicates Z: 6 2.226 1.471 0.550 0.293 0.600 0.200 CB 0.918 Z: 12 18.110 1.759 0.940 0.914 1.000 0.909 CB 1.132 12 residues pruned to eliminate duplicates Z: 11 5.708 1.778 0.393 0.543 0.800 0.400 CB 0.873 11 residues pruned to eliminate duplicates Z: 7 4.353 1.542 0.101 0.824 1.000 0.667 CB 0.790 7 residues pruned to eliminate duplicates Z: 13 12.934 1.787 0.886 0.845 0.833 0.500 CB 0.988 10 residues pruned to eliminate duplicates Z: 15 8.999 1.666 0.543 0.663 0.786 0.571 CB 1.024 15 residues pruned to eliminate duplicates Z: 11 10.000 1.900 0.281 0.461 1.000 0.600 CB 1.352 11 residues pruned to eliminate duplicates Z: 26 21.934 1.899 0.619 0.637 0.920 0.720 CB 1.364 26 residues pruned to eliminate duplicates Z: 9 8.947 1.768 0.073 0.834 1.000 0.875 CB 1.250 9 residues pruned to eliminate duplicates Z: 12 14.337 1.853 0.574 0.862 1.000 0.727 CB 1.089 12 residues pruned to eliminate duplicates Z: 8 8.501 1.825 0.388 0.567 1.000 0.429 CB 1.189 8 residues pruned to eliminate duplicates Z: 11 4.126 1.607 0.507 0.226 0.600 0.300 CB 1.236 Z: 38 14.869 1.732 0.433 0.458 0.838 0.595 CB 1.226 38 residues pruned to eliminate duplicates Z: 12 5.176 1.572 0.205 0.448 0.909 0.545 CB 0.956 Z: 6 4.553 1.317 0.660 0.519 1.000 0.600 O 0.915 Z: 11 4.757 1.769 0.183 0.830 1.000 1.000 CB 0.541 9 residues pruned to eliminate duplicates Z: 7 2.445 1.289 0.237 0.618 1.000 0.667 CB 0.560 7 1.125 1.490 0.240 0.381 0.667 0.333 CB 0.423 ? Z: 31 13.628 1.664 0.342 0.647 0.900 0.767 CB 1.080 31 residues pruned to eliminate duplicates Z: 9 2.795 1.613 0.506 0.748 0.750 0.500 CB 0.434 9 residues pruned to eliminate duplicates Z: 15 13.356 1.769 0.502 0.862 0.929 0.714 CB 1.062 15 residues pruned to eliminate duplicates 6 1.863 1.080 0.682 0.295 0.800 0.400 CA 0.721 ? Z: 6 5.201 1.645 0.946 0.831 1.000 0.800 CB 0.546 6 residues pruned to eliminate duplicates Z: 9 4.113 1.416 0.343 0.677 0.875 0.625 CB 0.743 9 residues pruned to eliminate duplicates Z: 6 3.250 1.259 0.674 0.590 0.600 0.400 CB 1.055 Z: 7 5.853 1.767 0.426 0.316 0.833 0.667 CB 1.395 7 residues pruned to eliminate duplicates Z: 12 10.169 1.622 0.902 0.479 0.818 0.364 CB 1.242 12 residues pruned to eliminate duplicates Z: 6 6.686 1.691 0.264 0.796 1.000 0.800 CB 1.080 6 residues pruned to eliminate duplicates Z: 8 6.656 1.820 0.442 0.657 0.857 0.714 CB 0.967 8 residues pruned to eliminate duplicates Z: 17 11.626 1.721 0.460 0.879 1.000 0.750 CB 0.839 15 residues pruned to eliminate duplicates Z: 26 15.370 1.874 0.323 0.491 0.880 0.680 CB 1.422 22 residues pruned to eliminate duplicates Z: 7 6.340 1.682 0.725 0.790 1.000 0.500 CB 0.692 Z: 6 2.369 1.683 0.482 0.350 0.800 0.200 CB 0.625 7 residues pruned to eliminate duplicates Z: 7 5.637 1.633 0.769 0.467 0.667 0.667 CB 1.237 6 residues pruned to eliminate duplicates Z: 21 8.466 1.752 0.407 0.558 0.950 0.550 CB 0.764 21 residues pruned to eliminate duplicates Z: 7 2.911 1.498 0.011 0.361 0.833 0.500 N 1.094 7 residues pruned to eliminate duplicates Z: 16 8.293 1.840 0.364 0.281 0.800 0.467 CB 1.365 16 residues pruned to eliminate duplicates Z: 8 6.062 1.493 0.791 0.725 0.857 0.714 CB 0.816 Z: 11 13.966 1.818 0.614 0.444 1.000 0.700 CA 1.595 11 residues pruned to eliminate duplicates Z: 17 9.811 1.597 0.476 0.789 0.750 0.312 CB 1.076 17 residues pruned to eliminate duplicates Z: 13 5.192 1.597 0.593 0.860 0.833 0.833 CB 0.520 Z: 12 5.843 1.511 0.698 0.261 0.727 0.636 N 1.240 Z: 7 3.575 1.596 0.536 0.481 0.667 0.500 CB 0.910 7 residues pruned to eliminate duplicates Z: 17 10.313 1.610 0.419 0.776 0.812 0.562 CB 1.089 17 residues pruned to eliminate duplicates Z: 14 12.448 1.743 0.351 0.867 0.923 0.615 CB 1.162 14 residues pruned to eliminate duplicates Z: 11 4.333 1.442 0.637 0.445 0.800 0.400 CB 0.768 10 residues pruned to eliminate duplicates Z: 9 3.903 1.417 0.487 0.385 0.750 0.500 CB 0.986 Z: 13 7.826 1.751 0.419 0.576 0.833 0.667 CB 1.013 13 residues pruned to eliminate duplicates Z: 16 19.543 1.768 0.601 0.907 1.000 0.867 CB 1.267 16 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 12 5.231 1.617 0.173 0.406 0.727 0.182 CB 1.262 8 residues pruned to eliminate duplicates Z: 6 3.827 1.447 0.705 0.302 0.800 0.600 CA 1.081 6 residues pruned to eliminate duplicates Z: 18 16.114 1.796 0.712 0.484 0.941 0.588 CB 1.372 18 residues pruned to eliminate duplicates Z: 18 17.720 1.850 0.784 0.524 0.882 0.647 CB 1.441 17 residues pruned to eliminate duplicates Z: 7 3.166 1.505 0.788 0.290 0.667 0.333 CB 0.912 7 residues pruned to eliminate duplicates Z: 6 2.461 1.315 0.710 0.291 0.600 0.600 O 1.031 6 residues pruned to eliminate duplicates Z: 21 8.988 1.668 0.219 0.459 0.850 0.450 CB 1.213 21 residues pruned to eliminate duplicates Z: 12 7.073 1.759 0.410 0.405 0.727 0.455 CB 1.306 12 residues pruned to eliminate duplicates Z: 14 6.288 1.665 0.343 0.346 0.692 0.462 CB 1.331 14 residues pruned to eliminate duplicates Z: 15 10.204 1.818 0.191 0.451 0.929 0.429 CB 1.426 15 residues pruned to eliminate duplicates Z: 7 6.594 1.582 -0.033 0.863 1.000 1.000 CB 1.292 7 residues pruned to eliminate duplicates Z: 14 8.716 1.791 0.319 0.399 0.846 0.462 CB 1.345 14 residues pruned to eliminate duplicates Z: 12 8.727 1.790 0.313 0.518 0.818 0.455 CB 1.344 12 residues pruned to eliminate duplicates Z: 8 3.784 1.560 0.308 0.288 0.857 0.286 CB 1.038 Z: 7 7.357 1.571 0.308 0.824 1.000 0.833 CB 1.104 10 residues pruned to eliminate duplicates Z: 13 12.937 1.672 0.648 0.849 1.000 0.750 CB 1.004 13 residues pruned to eliminate duplicates Z: 10 13.982 1.579 0.901 0.887 1.000 0.778 CB 1.119 10 residues pruned to eliminate duplicates Z: 22 13.908 1.640 0.521 0.739 1.000 0.810 CB 0.982 20 residues pruned to eliminate duplicates Z: 15 14.820 1.646 0.553 0.847 0.929 0.571 CB 1.239 17 residues pruned to eliminate duplicates Z: 13 16.433 1.727 0.588 0.923 1.000 0.917 CB 1.215 13 residues pruned to eliminate duplicates Z: 12 8.995 1.708 0.501 0.588 0.909 0.636 CB 1.069 11 residues pruned to eliminate duplicates Z: 17 16.887 1.635 0.671 0.822 0.938 0.750 CB 1.246 18 residues pruned to eliminate duplicates Z: 11 9.249 1.704 0.560 0.685 0.900 0.500 CB 1.032 11 residues pruned to eliminate duplicates Z: 18 12.705 1.778 0.442 0.634 0.941 0.471 CB 1.126 14 residues pruned to eliminate duplicates Z: 16 13.303 1.667 0.600 0.823 0.933 0.667 CB 1.043 16 residues pruned to eliminate duplicates Z: 20 12.592 1.799 0.366 0.541 0.895 0.737 CB 1.262 20 residues pruned to eliminate duplicates Z: 18 18.402 1.684 0.609 0.896 1.000 0.647 CB 1.180 18 residues pruned to eliminate duplicates Z: 23 13.485 1.749 0.428 0.571 0.955 0.500 CB 1.126 21 residues pruned to eliminate duplicates Z: 14 13.801 1.742 0.434 0.691 1.000 0.615 CB 1.287 14 residues pruned to eliminate duplicates Z: 8 6.381 1.782 0.237 0.460 1.000 0.571 CB 1.139 8 residues pruned to eliminate duplicates Z: 10 3.544 1.710 0.104 0.383 0.778 0.556 CB 0.911 12 residues pruned to eliminate duplicates Z: 6 4.041 1.434 0.198 0.481 1.000 0.400 CB 1.072 6 residues pruned to eliminate duplicates Z: 9 6.333 1.803 0.168 0.453 0.875 0.750 CB 1.275 9 residues pruned to eliminate duplicates Z: 12 17.934 1.975 0.998 0.872 1.000 0.636 CB 0.998 12 residues pruned to eliminate duplicates Z: 25 19.160 1.938 0.713 0.605 0.875 0.542 CB 1.218 25 residues pruned to eliminate duplicates Z: 24 17.821 1.993 0.527 0.601 0.913 0.522 CB 1.215 24 residues pruned to eliminate duplicates Z: 25 18.870 1.925 0.730 0.604 0.958 0.542 CB 1.093 25 residues pruned to eliminate duplicates Z: 28 18.807 1.877 0.754 0.620 0.852 0.519 CB 1.152 28 residues pruned to eliminate duplicates Z: 28 17.211 1.906 0.622 0.604 0.852 0.630 CB 1.140 28 residues pruned to eliminate duplicates Z: 27 14.244 1.805 0.512 0.491 0.846 0.577 CB 1.221 27 residues pruned to eliminate duplicates Z: 25 19.409 1.947 0.669 0.627 0.958 0.583 CB 1.129 25 residues pruned to eliminate duplicates Z: 26 19.151 1.911 0.649 0.640 0.880 0.640 CB 1.212 26 residues pruned to eliminate duplicates Z: 24 19.679 1.976 0.674 0.608 0.913 0.609 CB 1.226 24 residues pruned to eliminate duplicates Z: 26 18.457 1.864 0.794 0.490 0.880 0.560 CB 1.267 26 residues pruned to eliminate duplicates Z: 27 22.230 1.902 0.755 0.647 0.962 0.654 CB 1.184 27 residues pruned to eliminate duplicates Z: 24 20.136 1.977 0.651 0.644 0.913 0.696 CB 1.232 24 residues pruned to eliminate duplicates Z: 24 16.858 1.967 0.602 0.652 0.913 0.652 CB 1.061 24 residues pruned to eliminate duplicates Z: 23 20.225 1.998 0.695 0.640 0.955 0.727 CB 1.170 23 residues pruned to eliminate duplicates Z: 35 24.875 1.987 0.774 0.617 0.912 0.500 CB 1.188 35 residues pruned to eliminate duplicates Z: 35 21.527 1.984 0.551 0.549 0.912 0.676 CB 1.254 35 residues pruned to eliminate duplicates Z: 13 15.389 1.979 0.426 0.663 1.000 0.667 CB 1.354 13 residues pruned to eliminate duplicates Z: 36 24.962 1.960 0.778 0.600 0.943 0.514 CB 1.168 36 residues pruned to eliminate duplicates Z: 22 19.314 2.017 0.640 0.564 0.952 0.619 CB 1.258 22 residues pruned to eliminate duplicates Z: 14 9.943 1.896 0.484 0.512 0.846 0.538 CB 1.145 14 residues pruned to eliminate duplicates Z: 25 16.383 1.899 0.449 0.496 0.917 0.625 CB 1.330 25 residues pruned to eliminate duplicates Z: 24 15.821 1.926 0.655 0.446 0.913 0.522 CB 1.198 24 residues pruned to eliminate duplicates Z: 13 8.026 1.952 0.314 0.394 0.833 0.500 CB 1.213 13 residues pruned to eliminate duplicates Z: 26 20.186 1.908 0.584 0.452 1.000 0.640 CB 1.402 24 residues pruned to eliminate duplicates Z: 8 11.172 1.631 0.794 0.596 1.000 0.857 N 1.317 8 residues pruned to eliminate duplicates Z: 24 18.431 1.920 0.577 0.552 0.913 0.565 CB 1.321 24 residues pruned to eliminate duplicates Z: 24 20.646 1.953 0.634 0.521 0.957 0.565 CB 1.381 24 residues pruned to eliminate duplicates Z: 26 18.568 1.892 0.555 0.511 0.920 0.680 CB 1.357 26 residues pruned to eliminate duplicates Z: 25 16.779 1.946 0.577 0.499 0.792 0.667 CB 1.410 25 residues pruned to eliminate duplicates Z: 29 17.678 1.884 0.522 0.488 0.857 0.679 CB 1.376 29 residues pruned to eliminate duplicates Z: 23 17.015 1.982 0.430 0.511 0.864 0.545 CB 1.465 23 residues pruned to eliminate duplicates Z: 13 11.207 1.803 0.587 0.470 0.833 0.583 N 1.399 13 residues pruned to eliminate duplicates Z: 21 16.800 1.831 0.554 0.555 0.900 0.600 N 1.390 21 residues pruned to eliminate duplicates Z: 20 9.383 1.758 0.515 0.358 0.737 0.579 CB 1.278 20 residues pruned to eliminate duplicates Z: 11 12.927 1.960 0.692 0.504 0.900 0.700 N 1.364 11 residues pruned to eliminate duplicates Z: 12 10.636 1.885 0.477 0.486 0.909 0.636 CB 1.285 12 residues pruned to eliminate duplicates Z: 27 14.039 1.780 0.569 0.485 0.769 0.500 CB 1.302 27 residues pruned to eliminate duplicates Z: 23 20.144 1.990 0.633 0.562 0.864 0.545 CB 1.440 24 residues pruned to eliminate duplicates Z: 15 24.988 2.043 0.468 0.884 1.000 0.929 CB 1.610 16 residues pruned to eliminate duplicates Z: 16 23.302 1.976 0.697 0.874 0.933 0.867 CB 1.399 16 residues pruned to eliminate duplicates Z: 23 26.751 2.034 0.649 0.611 0.955 0.682 CB 1.604 31 residues pruned to eliminate duplicates Z: 14 30.852 2.151 0.741 0.895 1.000 0.846 CB 1.638 14 residues pruned to eliminate duplicates Z: 24 29.323 2.058 0.758 0.657 0.913 0.739 CB 1.600 24 residues pruned to eliminate duplicates Z: 15 30.295 2.060 0.744 0.889 1.000 0.857 CB 1.622 15 residues pruned to eliminate duplicates Z: 28 27.642 1.921 0.671 0.635 0.963 0.741 CB 1.517 27 residues pruned to eliminate duplicates Z: 14 30.834 2.024 0.740 0.914 1.000 1.000 CB 1.717 14 residues pruned to eliminate duplicates Z: 16 28.044 2.076 0.747 0.780 1.000 0.800 CB 1.559 16 residues pruned to eliminate duplicates Z: 15 31.124 2.042 0.795 0.896 1.000 0.929 CB 1.627 15 residues pruned to eliminate duplicates Z: 25 23.284 1.968 0.632 0.622 0.958 0.667 CB 1.376 25 residues pruned to eliminate duplicates Z: 17 26.107 2.063 0.734 0.741 0.938 0.875 CB 1.569 17 residues pruned to eliminate duplicates Z: 25 25.757 1.989 0.763 0.627 0.875 0.792 CB 1.519 25 residues pruned to eliminate duplicates Z: 25 26.788 1.994 0.596 0.654 0.958 0.708 CB 1.554 25 residues pruned to eliminate duplicates Z: 23 28.419 2.044 0.789 0.633 0.909 0.682 CB 1.609 23 residues pruned to eliminate duplicates Z: 25 24.741 2.005 0.750 0.644 0.917 0.708 CB 1.373 25 residues pruned to eliminate duplicates Z: 6 4.728 1.588 0.771 0.203 0.800 0.400 N 1.337 Z: 6 5.331 1.432 0.508 0.449 1.000 0.800 O 1.164 6 residues pruned to eliminate duplicates Z: 33 22.231 1.973 0.433 0.614 0.875 0.625 CB 1.426 70 residues pruned to eliminate duplicates Z: 21 21.948 1.941 0.362 0.794 0.950 0.800 CB 1.511 21 residues pruned to eliminate duplicates Z: 29 18.590 1.866 0.298 0.711 0.929 0.679 CB 1.290 29 residues pruned to eliminate duplicates Z: 26 26.393 1.951 0.588 0.700 0.960 0.760 CB 1.478 26 residues pruned to eliminate duplicates Z: 26 20.010 1.954 0.238 0.761 0.960 0.640 CB 1.367 26 residues pruned to eliminate duplicates Z: 25 22.097 1.976 0.451 0.789 0.917 0.792 CB 1.332 25 residues pruned to eliminate duplicates Z: 47 25.033 1.893 0.628 0.617 0.870 0.674 CB 1.233 47 residues pruned to eliminate duplicates Z: 25 28.184 1.990 0.795 0.737 0.958 0.833 CB 1.358 25 residues pruned to eliminate duplicates Z: 23 31.641 2.049 0.851 0.791 1.000 0.682 CB 1.378 23 residues pruned to eliminate duplicates Z: 25 25.770 2.001 0.747 0.759 0.917 0.583 CB 1.304 25 residues pruned to eliminate duplicates Z: 28 25.131 1.977 0.748 0.659 0.963 0.630 CB 1.254 28 residues pruned to eliminate duplicates Z: 29 21.250 1.901 0.715 0.666 0.857 0.429 CB 1.233 29 residues pruned to eliminate duplicates Z: 25 27.926 1.995 0.806 0.708 0.958 0.625 CB 1.367 25 residues pruned to eliminate duplicates Z: 27 28.624 1.956 0.935 0.724 0.923 0.654 CB 1.313 27 residues pruned to eliminate duplicates Z: 26 24.204 1.928 0.785 0.708 0.840 0.640 CB 1.386 26 residues pruned to eliminate duplicates Z: 21 31.288 2.097 0.851 0.835 0.900 0.700 CB 1.500 21 residues pruned to eliminate duplicates Z: 25 25.079 1.981 0.663 0.756 0.958 0.625 CB 1.291 25 residues pruned to eliminate duplicates Z: 30 29.069 1.993 0.802 0.744 0.931 0.655 CB 1.298 30 residues pruned to eliminate duplicates Z: 27 13.991 1.878 0.686 0.524 0.808 0.500 CB 1.048 27 residues pruned to eliminate duplicates Z: 46 29.232 1.919 0.654 0.680 0.956 0.622 CB 1.218 46 residues pruned to eliminate duplicates Z: 31 11.975 1.833 0.409 0.596 0.867 0.667 CB 0.892 31 residues pruned to eliminate duplicates Z: 28 27.896 1.979 0.847 0.762 0.963 0.630 CB 1.209 28 residues pruned to eliminate duplicates Z: 39 21.462 1.948 0.637 0.603 0.895 0.632 CB 1.106 39 residues pruned to eliminate duplicates Z: 29 27.080 1.983 0.768 0.740 0.929 0.643 CB 1.267 29 residues pruned to eliminate duplicates Z: 29 24.926 1.976 0.707 0.761 0.964 0.679 CB 1.149 29 residues pruned to eliminate duplicates Z: 31 26.296 1.934 0.747 0.727 1.000 0.700 CB 1.158 31 residues pruned to eliminate duplicates Z: 49 27.909 1.976 0.493 0.706 0.917 0.688 CB 1.236 49 residues pruned to eliminate duplicates Z: 42 20.690 1.885 0.629 0.574 0.805 0.537 CB 1.217 42 residues pruned to eliminate duplicates Z: 18 14.885 1.969 0.341 0.690 0.882 0.824 CB 1.303 18 residues pruned to eliminate duplicates Z: 23 14.678 1.901 0.474 0.714 0.864 0.727 CB 1.065 23 residues pruned to eliminate duplicates Z: 19 10.439 1.894 0.414 0.511 0.722 0.500 CB 1.259 19 residues pruned to eliminate duplicates Z: 22 14.080 1.919 0.526 0.672 0.857 0.667 CB 1.044 26 residues pruned to eliminate duplicates Z: 15 10.456 1.835 0.407 0.718 0.857 0.571 CB 1.038 15 residues pruned to eliminate duplicates Z: 17 14.205 1.919 0.540 0.681 0.875 0.688 CB 1.163 17 residues pruned to eliminate duplicates Z: 11 7.924 1.804 0.577 0.444 0.700 0.400 CB 1.333 11 residues pruned to eliminate duplicates Z: 14 12.251 1.992 0.393 0.645 0.846 0.692 CB 1.264 14 residues pruned to eliminate duplicates Z: 16 15.267 1.976 0.584 0.746 0.800 0.600 CB 1.263 16 residues pruned to eliminate duplicates Z: 14 12.441 2.041 0.318 0.636 0.846 0.769 CB 1.335 14 residues pruned to eliminate duplicates Z: 12 10.659 1.877 0.227 0.777 1.000 0.727 CB 1.093 12 residues pruned to eliminate duplicates Z: 10 11.853 1.828 0.352 0.785 1.000 0.889 CB 1.245 10 residues pruned to eliminate duplicates Z: 10 8.615 1.937 0.165 0.689 1.000 0.667 CB 1.070 10 residues pruned to eliminate duplicates Z: 26 15.332 1.824 0.426 0.621 0.840 0.600 CB 1.252 46 residues pruned to eliminate duplicates Z: 16 11.742 1.819 0.342 0.581 0.933 0.667 CB 1.231 16 residues pruned to eliminate duplicates Z: 50 25.154 1.931 0.599 0.666 0.898 0.592 CB 1.111 50 residues pruned to eliminate duplicates Z: 16 10.189 1.704 0.659 0.727 0.867 0.533 CB 0.875 16 residues pruned to eliminate duplicates Z: 14 10.981 1.790 0.523 0.714 0.923 0.615 CB 0.997 14 residues pruned to eliminate duplicates Z: 19 10.980 1.807 0.561 0.685 0.833 0.667 CB 0.929 19 residues pruned to eliminate duplicates Z: 20 14.586 1.801 0.581 0.736 0.842 0.684 CB 1.129 20 residues pruned to eliminate duplicates Z: 17 11.834 1.715 0.295 0.570 0.875 0.625 N 1.424 15 residues pruned to eliminate duplicates Z: 12 12.650 1.790 0.374 0.818 0.909 0.727 N 1.295 12 residues pruned to eliminate duplicates Z: 13 11.589 1.706 0.341 0.798 0.917 0.667 CB 1.229 13 residues pruned to eliminate duplicates Z: 14 12.663 1.747 0.427 0.667 0.846 0.385 CB 1.427 14 residues pruned to eliminate duplicates Z: 14 12.976 1.844 0.540 0.638 0.846 0.385 CB 1.316 14 residues pruned to eliminate duplicates Z: 13 10.842 1.794 0.259 0.726 0.833 0.417 CB 1.357 13 residues pruned to eliminate duplicates Z: 14 11.163 1.735 0.511 0.623 0.769 0.385 CB 1.367 14 residues pruned to eliminate duplicates Z: 11 11.154 1.889 0.306 0.721 0.900 0.600 CB 1.301 12 residues pruned to eliminate duplicates Z: 13 15.754 1.738 0.587 0.818 0.917 0.750 N 1.364 15 residues pruned to eliminate duplicates Z: 12 14.617 1.777 0.490 0.770 0.909 0.727 CB 1.441 12 residues pruned to eliminate duplicates Z: 15 11.185 1.739 0.386 0.561 0.929 0.786 CB 1.259 15 residues pruned to eliminate duplicates Z: 15 11.198 1.723 0.225 0.707 0.929 0.643 CB 1.264 15 residues pruned to eliminate duplicates Z: 14 15.168 1.915 0.739 0.634 0.846 0.538 CB 1.317 14 residues pruned to eliminate duplicates Z: 13 10.064 1.889 0.432 0.650 0.833 0.583 CB 1.120 13 residues pruned to eliminate duplicates Z: 13 12.743 1.870 0.656 0.646 0.917 0.500 CB 1.131 13 residues pruned to eliminate duplicates Z: 11 16.590 1.981 0.876 0.789 0.900 0.900 CB 1.216 11 residues pruned to eliminate duplicates Z: 11 18.778 1.975 0.938 0.628 0.900 0.600 CB 1.528 11 residues pruned to eliminate duplicates Z: 12 19.101 1.886 0.902 0.806 0.909 0.727 CB 1.353 12 residues pruned to eliminate duplicates Z: 17 11.359 1.793 0.677 0.521 0.875 0.625 CB 1.057 17 residues pruned to eliminate duplicates Z: 16 11.447 1.833 0.786 0.555 0.800 0.667 CB 1.070 16 residues pruned to eliminate duplicates Z: 13 12.627 1.860 0.724 0.679 0.917 0.750 CB 1.051 13 residues pruned to eliminate duplicates Z: 12 17.872 1.786 0.725 0.865 1.000 0.909 CB 1.281 12 residues pruned to eliminate duplicates Z: 21 16.149 1.791 0.546 0.478 0.950 0.400 CB 1.404 24 residues pruned to eliminate duplicates Z: 9 8.418 1.698 0.491 0.859 0.750 0.375 N 1.154 9 residues pruned to eliminate duplicates Z: 11 7.525 1.623 0.518 0.696 0.800 0.400 N 1.010 11 residues pruned to eliminate duplicates Z: 14 14.990 1.773 0.527 0.834 0.923 0.462 CB 1.247 14 residues pruned to eliminate duplicates Z: 14 15.463 1.760 0.469 0.848 0.923 0.385 N 1.333 14 residues pruned to eliminate duplicates Z: 13 17.047 1.805 0.424 0.885 1.000 0.583 CB 1.383 13 residues pruned to eliminate duplicates Z: 12 13.047 1.727 0.610 0.760 0.909 0.545 CB 1.236 12 residues pruned to eliminate duplicates Z: 14 13.868 1.680 0.574 0.818 0.923 0.385 N 1.196 14 residues pruned to eliminate duplicates Z: 9 4.561 1.538 0.498 0.308 0.750 0.375 N 1.156 9 residues pruned to eliminate duplicates Z: 14 7.373 1.679 0.372 0.593 0.692 0.385 CB 1.173 14 residues pruned to eliminate duplicates Z: 34 21.821 1.895 0.607 0.446 0.939 0.545 CB 1.404 34 residues pruned to eliminate duplicates Z: 29 20.845 2.024 0.627 0.424 0.929 0.643 CB 1.395 Z: 7 2.563 1.748 0.443 0.243 0.500 0.333 CB 1.117 7 residues pruned to eliminate duplicates Z: 24 14.008 1.896 0.556 0.467 0.870 0.522 CB 1.178 24 residues pruned to eliminate duplicates Z: 6 5.507 1.694 0.595 0.231 1.000 0.400 CB 1.247 6 residues pruned to eliminate duplicates Z: 23 14.429 1.984 0.589 0.359 0.864 0.591 CB 1.314 23 residues pruned to eliminate duplicates Z: 26 13.989 1.933 0.564 0.347 0.840 0.640 CB 1.300 26 residues pruned to eliminate duplicates Z: 30 18.669 1.984 0.494 0.431 0.931 0.586 CB 1.349 30 residues pruned to eliminate duplicates Z: 6 3.983 1.504 1.101 0.291 0.600 0.200 C 1.188 6 residues pruned to eliminate duplicates Z: 20 18.531 1.949 0.687 0.517 0.895 0.684 CB 1.421 20 residues pruned to eliminate duplicates Z: 19 18.588 1.974 0.671 0.572 0.944 0.833 CB 1.311 19 residues pruned to eliminate duplicates Z: 20 18.554 1.998 0.647 0.537 0.947 0.632 CB 1.317 20 residues pruned to eliminate duplicates Z: 20 20.622 1.921 0.799 0.544 0.947 0.632 CB 1.384 20 residues pruned to eliminate duplicates Z: 23 11.361 1.836 0.424 0.426 0.773 0.545 CB 1.295 23 residues pruned to eliminate duplicates Z: 21 18.276 1.933 0.786 0.577 0.850 0.650 CB 1.294 21 residues pruned to eliminate duplicates Z: 8 4.324 1.424 0.642 0.402 0.857 0.429 CB 0.904 Z: 7 7.206 1.672 0.848 0.406 1.000 1.000 CB 1.051 7 residues pruned to eliminate duplicates Z: 18 8.366 1.875 0.293 0.324 0.765 0.294 CB 1.329 17 residues pruned to eliminate duplicates Z: 7 6.929 1.720 0.621 0.368 0.833 0.333 O 1.404 7 residues pruned to eliminate duplicates Z: 12 7.061 1.796 0.346 0.399 0.727 0.182 CB 1.346 10 residues pruned to eliminate duplicates Z: 6 9.646 1.804 0.712 0.718 0.800 0.400 CB 1.433 9 residues pruned to eliminate duplicates Z: 6 5.041 1.880 0.259 0.617 0.800 0.400 CB 1.066 5 residues pruned to eliminate duplicates Z: 11 13.105 1.786 0.495 0.821 0.900 0.800 O 1.305 11 residues pruned to eliminate duplicates Z: 15 9.713 1.727 0.559 0.590 0.714 0.500 CB 1.239 15 residues pruned to eliminate duplicates Z: 14 11.608 1.781 0.539 0.615 0.769 0.462 CB 1.370 14 residues pruned to eliminate duplicates Z: 10 9.361 1.734 0.636 0.751 0.778 0.778 CB 1.130 10 residues pruned to eliminate duplicates Z: 15 17.874 1.741 0.713 0.901 1.000 0.786 CB 1.142 14 residues pruned to eliminate duplicates Z: 14 18.819 1.810 0.853 0.909 1.000 0.769 CB 1.105 14 residues pruned to eliminate duplicates Z: 14 10.397 1.764 0.347 0.662 0.846 0.538 CB 1.234 14 residues pruned to eliminate duplicates Z: 16 8.804 1.694 0.424 0.619 0.733 0.533 CB 1.148 16 residues pruned to eliminate duplicates Z: 15 15.803 1.788 0.799 0.821 0.929 0.571 CB 1.070 15 residues pruned to eliminate duplicates Z: 13 15.148 1.762 0.919 0.833 0.750 0.583 CB 1.294 13 residues pruned to eliminate duplicates Z: 15 19.631 1.790 0.892 0.892 1.000 0.786 CB 1.113 15 residues pruned to eliminate duplicates Z: 18 14.290 1.798 0.740 0.711 0.941 0.588 CB 0.972 18 residues pruned to eliminate duplicates Z: 8 3.789 1.622 0.531 0.449 0.714 0.286 CB 0.851 8 residues pruned to eliminate duplicates Z: 14 15.724 1.886 0.559 0.826 1.000 0.846 CB 1.118 14 residues pruned to eliminate duplicates Z: 14 14.953 1.946 0.515 0.767 1.000 0.769 CB 1.110 14 residues pruned to eliminate duplicates Z: 16 15.070 1.875 0.721 0.731 0.933 0.733 CB 1.050 16 residues pruned to eliminate duplicates Z: 15 13.570 1.902 0.428 0.775 1.000 0.857 CB 1.047 15 residues pruned to eliminate duplicates Z: 18 14.248 1.781 0.746 0.714 0.941 0.706 CB 0.973 18 residues pruned to eliminate duplicates Z: 38 13.060 1.721 0.409 0.520 0.838 0.676 CB 1.037 38 residues pruned to eliminate duplicates Z: 15 12.871 1.881 0.401 0.784 0.929 0.714 CB 1.094 15 residues pruned to eliminate duplicates Z: 18 15.432 1.922 0.562 0.733 0.941 0.824 CB 1.074 18 residues pruned to eliminate duplicates Z: 23 13.469 1.854 0.505 0.630 0.864 0.682 CB 1.055 23 residues pruned to eliminate duplicates Z: 31 16.359 1.846 0.522 0.673 0.867 0.500 CB 1.045 29 residues pruned to eliminate duplicates Z: 18 17.759 1.863 0.638 0.900 1.000 0.824 CB 1.008 18 residues pruned to eliminate duplicates Z: 25 13.128 1.868 0.409 0.619 0.958 0.542 CB 0.949 25 residues pruned to eliminate duplicates Z: 37 19.431 1.871 0.573 0.569 0.917 0.611 CB 1.123 37 residues pruned to eliminate duplicates Z: 16 6.110 1.703 0.434 0.331 0.933 0.467 CB 0.833 16 residues pruned to eliminate duplicates Z: 14 7.630 1.744 0.537 0.439 0.923 0.462 CB 0.911 14 residues pruned to eliminate duplicates Z: 38 23.376 1.909 0.684 0.671 0.919 0.649 CB 1.111 38 residues pruned to eliminate duplicates Z: 12 4.737 1.729 0.174 0.337 0.818 0.364 CB 1.028 12 residues pruned to eliminate duplicates Z: 13 6.027 1.731 0.269 0.225 0.917 0.417 CB 1.191 13 residues pruned to eliminate duplicates Z: 19 16.365 1.951 0.587 0.660 0.889 0.667 CB 1.209 19 residues pruned to eliminate duplicates Z: 21 16.971 1.953 0.653 0.663 0.950 0.650 CB 1.063 21 residues pruned to eliminate duplicates Z: 10 4.915 1.842 0.137 0.512 0.889 0.556 CB 0.870 10 residues pruned to eliminate duplicates Z: 23 15.247 1.890 0.597 0.599 0.909 0.636 CB 1.078 23 residues pruned to eliminate duplicates Z: 24 13.977 1.842 0.547 0.585 1.000 0.609 CB 0.943 24 residues pruned to eliminate duplicates Z: 39 19.805 1.904 0.555 0.648 0.895 0.658 CB 1.056 39 residues pruned to eliminate duplicates Z: 14 14.091 1.932 0.747 0.607 0.923 0.538 CB 1.133 14 residues pruned to eliminate duplicates Z: 14 16.892 1.970 0.763 0.689 0.923 0.769 CB 1.228 14 residues pruned to eliminate duplicates Z: 23 15.390 1.896 0.528 0.608 0.955 0.636 CB 1.071 23 residues pruned to eliminate duplicates Z: 13 22.163 1.983 0.914 0.804 1.000 0.833 CB 1.293 13 residues pruned to eliminate duplicates Z: 28 18.066 1.895 0.499 0.673 1.000 0.704 CB 1.043 28 residues pruned to eliminate duplicates Z: 15 16.862 1.935 0.852 0.670 0.857 0.571 CB 1.254 15 residues pruned to eliminate duplicates Z: 16 14.635 1.820 0.699 0.664 0.867 0.667 CB 1.212 16 residues pruned to eliminate duplicates Z: 25 15.376 1.816 0.565 0.585 0.833 0.583 CB 1.222 25 residues pruned to eliminate duplicates Z: 19 16.392 1.889 0.380 0.727 0.944 0.778 CB 1.278 19 residues pruned to eliminate duplicates Z: 20 17.261 1.881 0.582 0.716 0.947 0.684 CB 1.155 20 residues pruned to eliminate duplicates Z: 28 14.630 1.758 0.509 0.632 0.852 0.519 CB 1.101 28 residues pruned to eliminate duplicates Z: 24 16.634 1.860 0.859 0.562 0.870 0.565 CB 1.086 24 residues pruned to eliminate duplicates Z: 23 18.195 1.874 0.681 0.670 0.909 0.773 CB 1.157 23 residues pruned to eliminate duplicates Z: 23 16.325 1.877 0.222 0.621 0.909 0.818 CB 1.490 23 residues pruned to eliminate duplicates Z: 27 19.786 1.858 0.508 0.610 0.885 0.808 CB 1.410 27 residues pruned to eliminate duplicates Z: 34 17.105 1.834 0.384 0.543 0.909 0.697 CB 1.238 34 residues pruned to eliminate duplicates Z: 26 23.982 1.911 0.559 0.647 0.960 0.760 CB 1.462 26 residues pruned to eliminate duplicates Z: 17 21.073 1.953 0.652 0.700 1.000 0.688 CB 1.360 17 residues pruned to eliminate duplicates Z: 36 19.049 1.810 0.484 0.542 0.886 0.600 CB 1.299 36 residues pruned to eliminate duplicates Z: 26 24.168 1.935 0.568 0.641 1.000 0.840 CB 1.396 26 residues pruned to eliminate duplicates Z: 26 24.296 1.865 0.673 0.672 0.960 0.760 CB 1.385 26 residues pruned to eliminate duplicates Z: 29 23.591 1.851 0.671 0.626 0.929 0.714 CB 1.379 29 residues pruned to eliminate duplicates Z: 25 27.028 1.895 0.805 0.684 0.958 0.708 N 1.421 25 residues pruned to eliminate duplicates Z: 33 19.340 1.825 0.567 0.581 0.875 0.656 CB 1.264 33 residues pruned to eliminate duplicates Z: 25 25.047 1.845 0.680 0.691 1.000 0.750 CB 1.384 25 residues pruned to eliminate duplicates Z: 29 17.772 1.812 0.518 0.580 0.821 0.714 CB 1.375 29 residues pruned to eliminate duplicates Z: 28 20.307 1.798 0.706 0.563 0.889 0.593 N 1.348 28 residues pruned to eliminate duplicates Z: 28 23.360 1.898 0.581 0.650 0.926 0.741 CB 1.407 28 residues pruned to eliminate duplicates Z: 28 23.997 1.878 0.675 0.652 0.963 0.667 CB 1.323 28 residues pruned to eliminate duplicates Z: 45 16.380 1.699 0.583 0.413 0.886 0.591 CB 1.135 45 residues pruned to eliminate duplicates Z: 26 20.536 1.857 0.720 0.656 0.920 0.640 CB 1.209 26 residues pruned to eliminate duplicates Z: 27 17.147 1.788 0.688 0.450 0.923 0.654 CB 1.270 27 residues pruned to eliminate duplicates Z: 11 7.328 1.811 0.225 0.432 0.900 0.800 CB 1.246 11 residues pruned to eliminate duplicates Z: 39 19.635 1.782 0.683 0.501 0.921 0.579 CB 1.152 39 residues pruned to eliminate duplicates Z: 27 22.086 1.891 0.592 0.628 1.000 0.769 CB 1.275 27 residues pruned to eliminate duplicates Z: 31 17.480 1.808 0.520 0.526 0.900 0.667 CB 1.258 31 residues pruned to eliminate duplicates Z: 33 15.841 1.723 0.632 0.432 0.844 0.469 CB 1.266 33 residues pruned to eliminate duplicates Z: 24 15.762 1.810 0.549 0.491 0.957 0.609 CB 1.237 24 residues pruned to eliminate duplicates Z: 37 20.753 1.808 0.560 0.562 0.917 0.639 CB 1.260 37 residues pruned to eliminate duplicates Z: 7 5.589 1.763 0.324 0.503 0.833 0.667 CB 1.170 7 residues pruned to eliminate duplicates Z: 23 11.513 1.817 0.229 0.490 0.864 0.591 CB 1.286 23 residues pruned to eliminate duplicates Z: 20 12.152 1.760 0.534 0.497 0.789 0.579 CB 1.311 20 residues pruned to eliminate duplicates Z: 25 14.284 1.782 0.503 0.545 0.958 0.500 CB 1.087 25 residues pruned to eliminate duplicates Z: 17 13.856 1.863 0.532 0.542 0.875 0.625 CB 1.332 17 residues pruned to eliminate duplicates Z: 16 18.124 1.918 0.511 0.581 1.000 0.667 CB 1.494 16 residues pruned to eliminate duplicates Z: 16 16.027 1.912 0.529 0.556 0.933 0.600 CB 1.435 16 residues pruned to eliminate duplicates Z: 12 13.549 1.898 0.530 0.552 1.000 0.636 CB 1.338 12 residues pruned to eliminate duplicates Z: 26 15.307 1.808 0.453 0.528 0.920 0.680 CB 1.232 26 residues pruned to eliminate duplicates Z: 19 14.918 1.823 0.519 0.459 0.944 0.667 CB 1.402 19 residues pruned to eliminate duplicates Z: 17 11.802 1.882 0.500 0.404 0.812 0.625 CB 1.423 17 residues pruned to eliminate duplicates Z: 17 15.770 1.867 0.515 0.505 0.938 0.688 CB 1.479 17 residues pruned to eliminate duplicates Z: 14 12.803 1.878 0.513 0.521 0.923 0.538 CB 1.326 14 residues pruned to eliminate duplicates Z: 30 11.315 1.786 0.376 0.368 0.862 0.621 CB 1.142 30 residues pruned to eliminate duplicates Z: 53 24.402 1.836 0.534 0.493 0.923 0.635 CB 1.311 53 residues pruned to eliminate duplicates Z: 16 17.241 1.926 0.618 0.550 1.000 0.667 CB 1.361 16 residues pruned to eliminate duplicates Z: 13 10.424 1.827 0.516 0.339 1.000 0.583 CB 1.294 13 residues pruned to eliminate duplicates Z: 24 16.032 1.858 0.496 0.513 0.957 0.609 CB 1.241 24 residues pruned to eliminate duplicates Z: 16 18.128 1.936 0.595 0.565 1.000 0.733 CB 1.423 16 residues pruned to eliminate duplicates Z: 16 18.493 1.935 0.608 0.557 1.000 0.600 CB 1.452 16 residues pruned to eliminate duplicates Z: 15 12.743 1.849 0.693 0.681 0.714 0.429 CB 1.290 15 residues pruned to eliminate duplicates Z: 10 12.197 1.830 0.924 0.622 1.000 0.667 CB 1.029 10 residues pruned to eliminate duplicates Z: 15 13.153 1.812 0.610 0.679 0.786 0.714 CB 1.300 15 residues pruned to eliminate duplicates Z: 13 14.670 1.924 0.562 0.693 0.833 0.667 CB 1.418 13 residues pruned to eliminate duplicates Z: 11 11.076 1.754 0.647 0.593 0.900 0.700 CB 1.232 11 residues pruned to eliminate duplicates Z: 14 12.860 1.868 0.378 0.676 0.846 0.615 CB 1.392 14 residues pruned to eliminate duplicates Z: 20 10.683 1.748 0.596 0.454 0.789 0.526 CB 1.167 20 residues pruned to eliminate duplicates Z: 18 13.315 1.743 0.575 0.636 0.824 0.471 CB 1.258 18 residues pruned to eliminate duplicates Z: 16 13.682 1.776 0.701 0.717 0.867 0.533 CB 1.108 16 residues pruned to eliminate duplicates Z: 15 15.574 1.817 0.576 0.831 0.929 0.786 CB 1.176 15 residues pruned to eliminate duplicates Z: 15 14.744 1.815 0.710 0.779 0.857 0.714 CB 1.158 14 residues pruned to eliminate duplicates Z: 9 5.381 1.396 0.428 0.605 0.875 0.625 CB 0.988 5 residues pruned to eliminate duplicates Z: 8 3.884 1.482 0.623 0.621 0.857 0.714 CB 0.635 8 residues pruned to eliminate duplicates Z: 11 4.628 1.505 0.620 0.606 0.800 0.700 CB 0.679 10 residues pruned to eliminate duplicates Z: 6 4.041 1.559 0.577 0.805 1.000 0.800 CB 0.563 6 residues pruned to eliminate duplicates Z: 14 4.850 1.607 0.296 0.399 0.769 0.308 N 0.933 14 residues pruned to eliminate duplicates Z: 14 4.518 1.659 0.146 0.361 0.846 0.385 CB 0.905 14 residues pruned to eliminate duplicates Z: 10 2.811 1.605 0.020 0.411 0.667 0.333 CB 0.942 10 residues pruned to eliminate duplicates Z: 14 5.130 1.638 0.180 0.357 0.846 0.692 CB 1.015 14 residues pruned to eliminate duplicates Z: 14 6.732 1.610 0.482 0.430 0.846 0.538 CB 0.994 14 residues pruned to eliminate duplicates Z: 17 4.819 1.571 0.223 0.338 0.750 0.375 CB 0.998 17 residues pruned to eliminate duplicates Z: 21 14.422 1.791 0.375 0.677 0.950 0.700 CB 1.171 21 residues pruned to eliminate duplicates Z: 27 15.266 1.678 0.434 0.667 0.962 0.615 CB 1.108 27 residues pruned to eliminate duplicates Z: 21 14.424 1.704 0.454 0.695 1.000 0.700 CB 1.089 26 residues pruned to eliminate duplicates Z: 20 16.246 1.760 0.258 0.859 1.000 1.000 CB 1.239 20 residues pruned to eliminate duplicates Z: 26 12.579 1.728 0.285 0.659 0.880 0.560 CB 1.111 26 residues pruned to eliminate duplicates Z: 31 18.374 1.832 0.381 0.557 0.967 0.767 CB 1.298 31 residues pruned to eliminate duplicates Z: 19 16.316 1.722 0.509 0.698 1.000 0.889 CB 1.235 19 residues pruned to eliminate duplicates Z: 31 18.063 1.817 0.440 0.573 0.967 0.767 CB 1.215 31 residues pruned to eliminate duplicates Z: 38 19.238 1.774 0.480 0.602 0.946 0.703 CB 1.156 38 residues pruned to eliminate duplicates Z: 45 23.477 1.777 0.446 0.641 0.977 0.773 CB 1.234 45 residues pruned to eliminate duplicates Z: 26 24.428 1.871 0.646 0.696 1.000 0.720 CB 1.326 28 residues pruned to eliminate duplicates Z: 16 15.619 1.791 0.384 0.894 0.933 0.733 CB 1.250 16 residues pruned to eliminate duplicates Z: 32 26.243 1.852 0.646 0.706 1.000 0.806 CB 1.282 32 residues pruned to eliminate duplicates Z: 27 20.632 1.826 0.555 0.626 0.962 0.731 CB 1.317 27 residues pruned to eliminate duplicates Z: 25 22.905 1.871 0.554 0.708 1.000 0.833 CB 1.332 25 residues pruned to eliminate duplicates Z: 28 21.626 1.819 0.607 0.582 0.926 0.667 CB 1.421 28 residues pruned to eliminate duplicates Z: 29 21.399 1.757 0.692 0.623 0.929 0.750 CB 1.304 29 residues pruned to eliminate duplicates Z: 27 19.815 1.842 0.587 0.603 0.885 0.731 CB 1.363 27 residues pruned to eliminate duplicates Z: 28 20.336 1.767 0.601 0.627 0.926 0.704 CB 1.326 28 residues pruned to eliminate duplicates Z: 28 21.190 1.785 0.560 0.644 0.963 0.815 CB 1.329 28 residues pruned to eliminate duplicates Z: 26 23.445 1.826 0.789 0.719 1.000 0.840 CB 1.178 26 residues pruned to eliminate duplicates Z: 25 23.341 1.863 0.666 0.647 0.958 0.792 CB 1.397 25 residues pruned to eliminate duplicates Z: 30 20.080 1.736 0.605 0.586 0.931 0.655 CB 1.323 30 residues pruned to eliminate duplicates Z: 27 23.532 1.834 0.703 0.701 1.000 0.846 CB 1.230 27 residues pruned to eliminate duplicates Z: 29 22.162 1.797 0.647 0.649 0.929 0.750 CB 1.326 29 residues pruned to eliminate duplicates Z: 24 26.711 1.901 0.687 0.665 1.000 0.826 CB 1.491 24 residues pruned to eliminate duplicates Z: 26 24.775 1.843 0.769 0.663 0.920 0.720 CB 1.420 26 residues pruned to eliminate duplicates Z: 25 24.926 1.863 0.747 0.716 0.958 0.750 CB 1.341 25 residues pruned to eliminate duplicates Z: 19 18.341 1.861 0.644 0.635 0.889 0.833 CB 1.401 19 residues pruned to eliminate duplicates Z: 27 22.676 1.820 0.668 0.642 0.962 0.731 CB 1.333 27 residues pruned to eliminate duplicates Z: 26 16.627 1.700 0.606 0.519 0.920 0.600 CB 1.298 26 residues pruned to eliminate duplicates Z: 11 17.502 2.030 0.686 0.901 0.900 0.900 CB 1.282 11 residues pruned to eliminate duplicates Z: 11 21.613 2.055 0.600 0.909 1.000 0.900 CB 1.476 11 residues pruned to eliminate duplicates Z: 10 24.303 2.062 0.870 0.876 1.000 0.556 CB 1.527 10 residues pruned to eliminate duplicates Z: 11 19.875 2.017 0.652 0.850 1.000 0.700 CB 1.397 11 residues pruned to eliminate duplicates Z: 10 22.072 2.031 0.687 0.892 1.000 0.778 CB 1.543 10 residues pruned to eliminate duplicates Z: 10 24.934 2.059 0.715 0.895 1.000 0.667 CB 1.687 10 residues pruned to eliminate duplicates Z: 11 21.682 2.004 0.701 0.853 1.000 0.700 CB 1.486 11 residues pruned to eliminate duplicates Z: 12 23.112 2.024 0.922 0.834 1.000 0.727 CB 1.344 12 residues pruned to eliminate duplicates Z: 10 27.528 2.079 1.069 0.923 1.000 0.778 CB 1.499 10 residues pruned to eliminate duplicates Z: 11 27.706 2.012 1.212 0.928 1.000 0.800 CB 1.378 11 residues pruned to eliminate duplicates Z: 13 7.567 1.690 0.566 0.578 0.667 0.333 CB 1.149 13 residues pruned to eliminate duplicates 453 residues left after pruning, divided into chains as follows: A: 7 B: 7 C: 7 D: 20 E: 22 F: 10 G: 49 H: 74 I: 13 J: 12 K: 42 L: 18 M: 119 N: 13 O: 40 CC for partial structure against native data = 33.07 % ------------------------------------------------------------------------------ Global autotracing cycle 5 = 0.300, Contrast = 0.496, Connect. = 0.731 for dens.mod. cycle 1 = 0.300, Contrast = 0.579, Connect. = 0.756 for dens.mod. cycle 2 = 0.300, Contrast = 0.686, Connect. = 0.782 for dens.mod. cycle 3 = 0.300, Contrast = 0.698, Connect. = 0.784 for dens.mod. cycle 4 = 0.300, Contrast = 0.709, Connect. = 0.785 for dens.mod. cycle 5 = 0.300, Contrast = 0.712, Connect. = 0.787 for dens.mod. cycle 6 = 0.300, Contrast = 0.715, Connect. = 0.788 for dens.mod. cycle 7 = 0.300, Contrast = 0.716, Connect. = 0.789 for dens.mod. cycle 8 = 0.300, Contrast = 0.716, Connect. = 0.790 for dens.mod. cycle 9 = 0.300, Contrast = 0.716, Connect. = 0.791 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2356 peaks > 0.5 sigma used to seed fragment search Space for about 918 unique residues taking solvent into account 555 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 22.952 1.991 0.566 0.861 0.933 0.800 CB 1.497 B: 13 25.851 2.013 0.712 0.844 1.000 0.750 CB 1.611 13 residues pruned to eliminate duplicates C: 15 26.537 2.084 0.719 0.836 0.929 0.857 CB 1.595 16 residues pruned to eliminate duplicates D: 18 15.175 1.691 0.423 0.909 1.000 0.824 CB 1.086 E: 13 20.458 1.952 0.679 0.877 1.000 0.833 CB 1.308 F: 18 26.044 2.000 0.577 0.899 1.000 0.824 CB 1.432 G: 16 27.861 2.088 0.618 0.902 1.000 0.867 CB 1.519 18 residues pruned to eliminate duplicates H: 13 15.415 1.945 0.540 0.597 0.917 0.750 CB 1.477 I: 18 17.256 1.818 0.549 0.771 0.941 0.529 CB 1.243 15 residues pruned to eliminate duplicates J: 14 12.770 1.656 0.626 0.791 0.923 0.615 CB 1.105 14 residues pruned to eliminate duplicates K: 21 15.498 1.951 0.555 0.708 0.850 0.750 CB 1.113 15 residues pruned to eliminate duplicates L: 12 15.345 1.909 0.665 0.819 0.909 0.636 CB 1.214 M: 28 19.284 1.928 0.587 0.589 0.926 0.704 CB 1.203 N: 16 23.183 1.985 0.697 0.861 0.933 0.867 CB 1.399 16 residues pruned to eliminate duplicates O: 23 15.646 1.841 0.596 0.664 0.955 0.727 CB 1.022 P: 17 24.536 2.038 0.407 0.908 1.000 0.938 CB 1.520 17 residues pruned to eliminate duplicates Q: 14 13.534 1.879 0.413 0.857 0.923 0.769 CB 1.129 14 residues pruned to eliminate duplicates R: 13 14.873 2.055 0.494 0.626 1.000 0.667 CB 1.242 S: 14 13.327 2.022 0.458 0.528 0.846 0.615 CB 1.441 13 residues pruned to eliminate duplicates T: 16 22.775 1.985 0.626 0.900 0.933 0.933 CB 1.394 16 residues pruned to eliminate duplicates U: 30 21.643 1.987 0.696 0.430 0.897 0.655 CB 1.430 V: 19 11.755 1.860 0.444 0.442 0.889 0.556 CB 1.231 19 residues pruned to eliminate duplicates W: 13 17.010 1.959 0.588 0.619 0.917 0.500 CB 1.540 X: 15 26.272 1.933 0.667 0.848 1.000 0.643 CB 1.617 15 residues pruned to eliminate duplicates Y: 11 18.121 1.919 0.783 0.876 1.000 0.900 CB 1.217 Z: 22 16.232 1.949 0.601 0.448 0.857 0.619 CB 1.397 22 residues pruned to eliminate duplicates Z: 18 15.194 1.985 0.317 0.677 0.882 0.765 CB 1.357 19 residues pruned to eliminate duplicates Z: 19 24.248 1.960 0.497 0.863 1.000 0.722 CB 1.430 16 residues pruned to eliminate duplicates Z: 23 12.240 1.889 0.347 0.678 0.773 0.636 CB 1.126 23 residues pruned to eliminate duplicates Z: 15 14.957 1.812 0.919 0.722 0.929 0.929 CB 1.013 15 residues pruned to eliminate duplicates Z: 7 7.975 1.820 0.278 0.828 0.833 0.667 N 1.266 Z: 14 26.488 1.991 0.772 0.861 0.923 0.769 N 1.658 14 residues pruned to eliminate duplicates Z: 16 28.210 2.070 0.806 0.887 0.933 0.733 CB 1.505 19 residues pruned to eliminate duplicates Z: 17 12.725 1.870 0.651 0.502 0.812 0.562 CB 1.265 17 residues pruned to eliminate duplicates Z: 12 19.525 1.955 0.501 0.909 1.000 0.909 CB 1.424 12 residues pruned to eliminate duplicates Z: 19 10.341 1.877 0.284 0.572 0.778 0.611 CB 1.214 19 residues pruned to eliminate duplicates Z: 15 18.730 1.837 0.711 0.914 1.000 0.857 CB 1.126 Z: 17 26.840 2.026 0.682 0.886 1.000 0.562 CB 1.421 17 residues pruned to eliminate duplicates Z: 16 27.526 2.039 0.743 0.887 1.000 0.933 CB 1.442 16 residues pruned to eliminate duplicates Z: 12 12.826 1.894 0.551 0.678 0.909 0.818 CB 1.229 12 residues pruned to eliminate duplicates Z: 13 20.127 1.939 0.812 0.901 1.000 0.750 CB 1.180 13 residues pruned to eliminate duplicates Z: 11 16.126 1.852 0.368 0.825 1.000 0.600 CB 1.519 Z: 11 6.382 1.743 0.554 0.674 0.900 0.600 CB 0.705 Z: 19 7.875 1.679 0.588 0.357 0.667 0.444 CB 1.218 Z: 15 26.813 2.061 0.650 0.861 0.929 0.929 CB 1.666 14 residues pruned to eliminate duplicates Z: 6 2.612 1.749 -0.036 0.507 0.800 0.600 CB 0.860 Z: 7 5.431 1.673 0.423 0.624 0.833 0.500 CB 0.994 Z: 23 25.459 2.043 0.400 0.808 1.000 0.727 CB 1.451 19 residues pruned to eliminate duplicates Z: 16 17.697 1.760 0.917 0.885 0.933 0.600 CB 1.048 16 residues pruned to eliminate duplicates Z: 9 14.322 1.982 0.581 0.830 0.875 0.750 CB 1.388 9 residues pruned to eliminate duplicates Z: 21 5.697 1.731 0.279 0.361 0.700 0.400 CB 0.954 21 residues pruned to eliminate duplicates Z: 53 24.131 1.869 0.445 0.511 0.923 0.635 CB 1.328 22 residues pruned to eliminate duplicates Z: 10 8.924 1.787 0.809 0.409 0.667 0.556 O 1.517 Z: 8 10.112 1.890 0.152 0.786 0.857 0.714 N 1.593 7 residues pruned to eliminate duplicates Z: 13 5.478 1.723 0.155 0.255 0.917 0.667 N 1.148 13 residues pruned to eliminate duplicates Z: 10 17.681 2.013 0.391 0.910 1.000 0.889 CB 1.493 10 residues pruned to eliminate duplicates Z: 15 8.138 1.937 0.309 0.367 0.929 0.643 CB 1.065 14 residues pruned to eliminate duplicates Z: 18 17.529 1.835 0.426 0.794 1.000 0.824 CB 1.255 18 residues pruned to eliminate duplicates Z: 13 15.622 1.746 0.306 0.803 1.000 0.583 N 1.517 11 residues pruned to eliminate duplicates Z: 12 23.654 1.963 0.954 0.912 1.000 0.636 CB 1.317 12 residues pruned to eliminate duplicates Z: 13 14.927 1.703 0.728 0.778 0.833 0.583 CB 1.375 13 residues pruned to eliminate duplicates Z: 15 15.282 1.869 0.622 0.860 0.929 0.714 CB 1.066 16 residues pruned to eliminate duplicates Z: 16 15.871 1.875 0.820 0.536 0.867 0.667 CB 1.338 17 residues pruned to eliminate duplicates Z: 13 12.322 1.838 0.753 0.615 0.833 0.667 CB 1.188 18 residues pruned to eliminate duplicates Z: 14 14.586 1.863 0.588 0.856 0.923 0.615 CB 1.092 Z: 7 5.345 1.659 0.715 0.595 0.833 0.667 CB 0.840 Z: 10 10.863 1.874 0.616 0.627 1.000 1.000 CB 1.061 10 residues pruned to eliminate duplicates Z: 10 19.985 1.905 1.016 0.856 1.000 0.889 CB 1.279 11 residues pruned to eliminate duplicates Z: 13 17.428 1.976 0.543 0.903 1.000 0.750 CB 1.176 13 residues pruned to eliminate duplicates Z: 13 17.343 1.849 0.518 0.853 1.000 0.917 CB 1.318 12 residues pruned to eliminate duplicates Z: 13 19.548 1.882 0.685 0.860 1.000 0.667 CB 1.309 14 residues pruned to eliminate duplicates Z: 12 21.263 1.972 0.788 0.925 1.000 1.000 CB 1.276 12 residues pruned to eliminate duplicates Z: 28 24.700 1.859 0.724 0.684 0.926 0.778 CB 1.353 Z: 18 22.897 1.985 0.540 0.842 1.000 0.647 CB 1.353 18 residues pruned to eliminate duplicates Z: 11 5.670 1.868 0.359 0.443 0.700 0.600 CB 1.070 11 residues pruned to eliminate duplicates Z: 13 13.437 1.969 0.640 0.512 0.917 0.417 CB 1.295 14 residues pruned to eliminate duplicates Z: 14 19.448 1.857 0.640 0.884 1.000 0.692 CB 1.279 13 residues pruned to eliminate duplicates Z: 23 17.749 1.868 0.553 0.548 0.955 0.727 CB 1.305 24 residues pruned to eliminate duplicates Z: 16 15.053 1.623 0.639 0.823 0.867 0.600 CB 1.275 Z: 10 8.875 1.822 0.396 0.622 0.889 0.667 CB 1.167 10 residues pruned to eliminate duplicates Z: 25 24.573 1.956 0.820 0.661 0.958 0.625 CB 1.266 28 residues pruned to eliminate duplicates Z: 11 13.652 1.847 0.097 0.903 1.000 1.000 N 1.518 11 residues pruned to eliminate duplicates Z: 19 16.895 1.771 0.543 0.862 1.000 0.611 CB 1.070 Z: 19 19.548 1.881 0.516 0.778 0.889 0.556 CB 1.422 19 residues pruned to eliminate duplicates Z: 17 20.596 1.934 0.369 0.887 0.938 0.750 CB 1.495 17 residues pruned to eliminate duplicates Z: 14 17.723 1.885 0.583 0.929 1.000 0.923 CB 1.153 14 residues pruned to eliminate duplicates Z: 12 24.111 2.145 0.633 0.882 0.909 0.909 CB 1.652 12 residues pruned to eliminate duplicates Z: 13 9.282 1.834 0.323 0.598 0.750 0.667 CB 1.342 14 residues pruned to eliminate duplicates Z: 13 20.596 1.953 0.744 0.896 1.000 0.917 CB 1.250 13 residues pruned to eliminate duplicates Z: 6 6.747 1.612 0.295 0.640 1.000 0.600 CB 1.268 Z: 11 16.112 1.838 0.514 0.817 1.000 0.800 CB 1.390 11 residues pruned to eliminate duplicates Z: 29 14.488 1.927 0.626 0.402 0.821 0.571 CB 1.179 29 residues pruned to eliminate duplicates Z: 13 15.794 1.860 0.463 0.829 1.000 0.750 CB 1.260 13 residues pruned to eliminate duplicates Z: 12 12.184 1.725 0.159 0.853 1.000 0.909 N 1.357 12 residues pruned to eliminate duplicates Z: 13 13.322 1.915 0.722 0.904 1.000 0.917 CB 0.831 14 residues pruned to eliminate duplicates Z: 8 6.086 1.771 0.351 0.709 0.857 0.714 CB 0.928 Z: 24 14.969 1.841 0.523 0.653 0.913 0.696 CB 1.057 24 residues pruned to eliminate duplicates Z: 32 18.504 1.847 0.409 0.607 0.903 0.677 CB 1.277 28 residues pruned to eliminate duplicates Z: 15 18.196 1.830 0.430 0.881 1.000 0.857 CB 1.346 15 residues pruned to eliminate duplicates Z: 9 5.630 1.562 0.272 0.539 1.000 0.750 N 0.964 Z: 21 15.432 1.828 0.454 0.624 0.850 0.700 CB 1.359 21 residues pruned to eliminate duplicates Z: 14 22.695 1.888 0.845 0.869 0.923 0.769 CB 1.430 14 residues pruned to eliminate duplicates Z: 18 27.131 2.010 0.704 0.893 1.000 0.824 CB 1.379 18 residues pruned to eliminate duplicates Z: 26 20.176 1.933 0.597 0.513 0.920 0.560 CB 1.402 26 residues pruned to eliminate duplicates Z: 13 20.943 1.986 0.795 0.844 0.917 0.917 CB 1.377 13 residues pruned to eliminate duplicates Z: 14 12.236 1.929 0.517 0.564 1.000 0.846 CB 1.090 14 residues pruned to eliminate duplicates Z: 15 18.520 1.798 0.773 0.918 1.000 0.857 CB 1.094 15 residues pruned to eliminate duplicates Z: 30 15.354 1.917 0.600 0.439 0.862 0.621 CB 1.149 30 residues pruned to eliminate duplicates 7 1.947 1.231 0.754 0.217 0.500 0.333 CA 1.026 ? Z: 30 22.587 1.876 0.581 0.652 0.897 0.793 CB 1.369 32 residues pruned to eliminate duplicates Z: 12 11.835 1.760 0.096 0.818 1.000 0.818 CB 1.404 12 residues pruned to eliminate duplicates Z: 13 14.150 1.958 0.654 0.527 0.917 0.833 CB 1.339 13 residues pruned to eliminate duplicates Z: 20 14.426 1.660 0.847 0.842 0.947 0.632 CB 0.849 19 residues pruned to eliminate duplicates Z: 11 13.854 1.823 0.405 0.747 1.000 0.800 CB 1.372 11 residues pruned to eliminate duplicates Z: 13 8.017 1.512 0.453 0.708 0.833 0.583 CB 1.046 Z: 12 7.136 1.710 0.481 0.350 0.909 0.455 CB 1.098 12 residues pruned to eliminate duplicates Z: 25 14.429 1.771 0.289 0.697 0.875 0.583 CB 1.232 29 residues pruned to eliminate duplicates Z: 16 22.719 1.912 0.554 0.922 1.000 0.933 CB 1.387 16 residues pruned to eliminate duplicates Z: 15 17.165 1.823 0.810 0.892 0.929 0.786 CB 1.076 15 residues pruned to eliminate duplicates Z: 9 7.202 1.563 0.433 0.578 0.875 0.625 CB 1.206 7 residues pruned to eliminate duplicates Z: 13 15.553 1.781 0.186 0.895 1.000 0.917 CB 1.524 13 residues pruned to eliminate duplicates Z: 18 24.856 2.002 0.803 0.832 0.941 0.706 CB 1.333 18 residues pruned to eliminate duplicates Z: 7 8.885 1.917 0.471 0.883 1.000 1.000 CB 0.930 Z: 9 6.683 1.648 0.471 0.596 0.875 0.750 N 1.017 7 residues pruned to eliminate duplicates Z: 13 5.055 1.709 0.372 0.833 0.917 0.667 CB 0.509 10 residues pruned to eliminate duplicates Z: 9 5.085 1.785 0.358 0.374 0.625 0.500 CB 1.358 9 residues pruned to eliminate duplicates Z: 56 25.469 1.853 0.482 0.556 0.891 0.673 CB 1.329 53 residues pruned to eliminate duplicates Z: 14 18.583 1.994 0.475 0.891 1.000 0.923 CB 1.260 14 residues pruned to eliminate duplicates Z: 15 17.488 1.855 0.599 0.909 1.000 0.857 CB 1.118 14 residues pruned to eliminate duplicates Z: 7 5.391 1.733 0.581 0.430 0.667 0.500 N 1.296 Z: 11 17.549 1.908 0.591 0.888 0.900 0.600 CB 1.463 13 residues pruned to eliminate duplicates Z: 9 6.797 1.751 0.189 0.500 0.875 0.500 CB 1.319 Z: 25 23.225 1.834 0.717 0.724 0.917 0.708 CB 1.342 25 residues pruned to eliminate duplicates Z: 10 14.418 2.053 0.620 0.594 1.000 0.778 CB 1.321 10 residues pruned to eliminate duplicates Z: 14 18.939 1.936 0.620 0.929 1.000 0.923 CB 1.172 14 residues pruned to eliminate duplicates Z: 12 20.160 1.839 0.616 0.920 1.000 0.818 CB 1.441 11 residues pruned to eliminate duplicates Z: 14 19.860 1.949 0.552 0.898 1.000 0.923 CB 1.302 14 residues pruned to eliminate duplicates Z: 15 9.997 1.769 0.380 0.387 0.929 0.500 CB 1.329 Z: 21 19.007 1.947 0.530 0.537 1.000 0.550 CB 1.376 21 residues pruned to eliminate duplicates Z: 17 17.213 1.743 0.545 0.830 0.938 0.875 CB 1.282 17 residues pruned to eliminate duplicates Z: 16 20.387 1.726 0.733 0.876 0.933 0.733 CB 1.371 16 residues pruned to eliminate duplicates Z: 9 11.655 1.912 0.486 0.875 1.000 0.750 CB 1.055 9 residues pruned to eliminate duplicates Z: 10 5.553 1.647 0.499 0.298 0.778 0.444 CB 1.208 Z: 13 14.876 2.011 0.601 0.624 0.917 0.583 CB 1.294 13 residues pruned to eliminate duplicates Z: 10 4.236 1.468 0.532 0.387 0.667 0.556 CB 1.062 Z: 16 13.011 1.827 0.532 0.572 0.867 0.600 CB 1.293 16 residues pruned to eliminate duplicates Z: 15 21.249 1.875 0.589 0.877 1.000 0.929 CB 1.385 15 residues pruned to eliminate duplicates Z: 15 16.566 1.847 0.646 0.881 0.929 0.786 CB 1.136 15 residues pruned to eliminate duplicates Z: 13 16.756 1.701 0.718 0.886 1.000 0.917 CB 1.195 16 residues pruned to eliminate duplicates Z: 6 5.996 1.431 0.930 0.784 1.000 0.800 CB 0.756 Z: 16 18.484 1.792 0.959 0.896 0.933 0.733 CB 1.043 16 residues pruned to eliminate duplicates Z: 20 8.165 1.855 0.287 0.404 0.789 0.579 CB 1.099 26 residues pruned to eliminate duplicates Z: 7 8.068 1.679 0.861 0.586 0.667 0.667 O 1.455 Z: 17 16.691 1.939 0.518 0.678 0.812 0.812 CA 1.481 17 residues pruned to eliminate duplicates Z: 6 7.835 1.619 0.469 0.837 1.000 0.800 CB 1.102 6 residues pruned to eliminate duplicates Z: 11 11.191 1.804 0.632 0.470 0.900 0.700 N 1.377 10 residues pruned to eliminate duplicates Z: 11 13.974 1.758 0.762 0.732 0.900 0.900 CB 1.286 11 residues pruned to eliminate duplicates Z: 12 19.946 1.851 0.604 0.832 1.000 0.636 CB 1.521 11 residues pruned to eliminate duplicates Z: 8 7.827 1.674 0.594 0.559 0.857 0.571 CB 1.221 7 residues pruned to eliminate duplicates Z: 18 22.872 1.980 0.753 0.848 0.941 0.706 CB 1.260 18 residues pruned to eliminate duplicates Z: 14 13.796 1.790 0.244 0.795 0.923 0.692 N 1.437 14 residues pruned to eliminate duplicates Z: 9 10.643 1.740 0.131 0.876 1.000 0.625 CB 1.390 9 residues pruned to eliminate duplicates Z: 8 8.050 1.814 0.412 0.841 0.857 0.714 N 1.033 8 residues pruned to eliminate duplicates Z: 12 12.973 1.940 0.540 0.845 0.909 0.818 CB 1.071 12 residues pruned to eliminate duplicates Z: 6 3.948 1.750 0.423 0.424 0.600 0.400 CA 1.279 Z: 13 16.631 1.836 0.458 0.933 1.000 1.000 CB 1.252 13 residues pruned to eliminate duplicates Z: 8 2.796 1.516 0.427 0.305 1.000 0.571 CB 0.607 Z: 16 5.971 1.720 0.209 0.345 0.800 0.333 CB 1.096 Z: 18 19.511 1.773 0.462 0.844 1.000 0.882 CB 1.358 18 residues pruned to eliminate duplicates Z: 13 20.137 1.807 0.732 0.863 1.000 0.833 CB 1.363 12 residues pruned to eliminate duplicates Z: 15 13.436 1.985 0.705 0.515 0.857 0.643 CB 1.219 15 residues pruned to eliminate duplicates Z: 23 19.737 1.961 0.549 0.562 0.955 0.636 CB 1.366 25 residues pruned to eliminate duplicates Z: 29 14.644 1.721 0.248 0.640 0.857 0.750 CB 1.318 29 residues pruned to eliminate duplicates Z: 23 15.701 1.968 0.486 0.473 0.909 0.591 CB 1.294 23 residues pruned to eliminate duplicates Z: 12 19.418 1.961 0.795 0.934 1.000 0.909 CB 1.160 12 residues pruned to eliminate duplicates Z: 24 15.411 1.824 0.639 0.504 0.870 0.522 CB 1.231 24 residues pruned to eliminate duplicates Z: 8 5.511 1.605 0.636 0.488 0.714 0.571 CB 1.124 Z: 54 20.981 1.790 0.450 0.523 0.906 0.604 CB 1.198 54 residues pruned to eliminate duplicates Z: 16 19.162 1.892 0.627 0.883 0.933 0.667 CB 1.246 16 residues pruned to eliminate duplicates Z: 24 16.861 1.896 0.433 0.566 0.870 0.696 CB 1.396 24 residues pruned to eliminate duplicates Z: 11 9.885 1.722 0.593 0.546 0.900 0.800 CB 1.210 9 residues pruned to eliminate duplicates Z: 14 12.603 1.731 0.413 0.747 0.846 0.538 CB 1.355 14 residues pruned to eliminate duplicates Z: 14 11.141 1.928 0.385 0.546 0.846 0.692 CB 1.308 14 residues pruned to eliminate duplicates Z: 24 19.494 1.988 0.518 0.618 0.913 0.609 CB 1.320 24 residues pruned to eliminate duplicates Z: 12 14.815 1.857 0.725 0.880 1.000 0.545 CB 1.011 12 residues pruned to eliminate duplicates Z: 15 5.726 1.651 0.329 0.423 0.643 0.500 CB 1.175 13 residues pruned to eliminate duplicates Z: 13 17.596 1.802 0.425 0.857 1.000 0.750 CB 1.457 13 residues pruned to eliminate duplicates Z: 6 3.865 1.666 0.531 0.359 0.600 0.400 CB 1.314 Z: 6 4.874 1.564 0.453 0.455 0.800 0.600 O 1.256 Z: 11 20.333 1.941 0.659 0.920 1.000 1.000 CB 1.407 11 residues pruned to eliminate duplicates Z: 13 21.882 1.955 0.899 0.836 1.000 0.750 CB 1.274 13 residues pruned to eliminate duplicates Z: 13 6.825 1.836 0.403 0.545 0.750 0.583 CB 0.976 13 residues pruned to eliminate duplicates Z: 17 13.242 1.745 0.392 0.689 0.875 0.688 CB 1.310 17 residues pruned to eliminate duplicates Z: 16 12.641 1.784 0.813 0.651 0.933 0.533 CB 0.939 16 residues pruned to eliminate duplicates Z: 7 4.320 1.476 0.751 0.532 0.667 0.500 CB 0.992 Z: 25 25.524 1.881 0.599 0.740 0.958 0.833 CB 1.458 25 residues pruned to eliminate duplicates Z: 48 19.714 1.882 0.639 0.565 0.809 0.489 CB 1.082 48 residues pruned to eliminate duplicates Z: 12 9.416 1.783 0.241 0.839 0.818 0.455 CB 1.171 8 residues pruned to eliminate duplicates Z: 16 22.310 1.792 1.041 0.874 1.000 0.733 CB 1.146 16 residues pruned to eliminate duplicates Z: 18 10.006 1.796 0.196 0.502 0.882 0.471 CB 1.278 16 residues pruned to eliminate duplicates Z: 9 6.598 1.726 0.717 0.873 0.875 0.875 CB 0.656 9 residues pruned to eliminate duplicates Z: 11 12.731 1.776 0.557 0.848 0.800 0.600 CB 1.350 11 residues pruned to eliminate duplicates Z: 11 19.579 1.879 0.686 0.865 1.000 1.000 CB 1.431 11 residues pruned to eliminate duplicates Z: 14 14.697 1.823 0.577 0.877 0.923 0.538 CB 1.115 14 residues pruned to eliminate duplicates Z: 27 17.215 1.853 0.672 0.477 0.846 0.577 CB 1.318 24 residues pruned to eliminate duplicates Z: 12 7.045 1.702 1.115 0.842 0.727 0.455 CB 0.605 Z: 19 9.557 1.719 0.393 0.550 0.833 0.444 CB 1.075 16 residues pruned to eliminate duplicates Z: 10 6.778 1.670 0.642 0.886 1.000 0.778 CB 0.595 Z: 11 13.416 1.914 0.061 0.911 1.000 0.900 CB 1.481 11 residues pruned to eliminate duplicates Z: 10 4.472 1.610 0.293 0.512 0.778 0.556 CB 0.909 Z: 12 6.011 1.583 0.419 0.362 0.909 0.818 CB 1.029 Z: 7 4.763 1.861 -0.003 0.823 0.833 0.667 CB 0.951 7 residues pruned to eliminate duplicates Z: 10 16.389 1.890 0.564 0.836 1.000 0.778 CB 1.384 10 residues pruned to eliminate duplicates Z: 6 6.392 1.643 0.312 0.654 0.800 0.800 O 1.436 Z: 19 8.626 1.715 0.359 0.433 0.722 0.444 CB 1.295 19 residues pruned to eliminate duplicates Z: 11 4.267 1.621 0.372 0.848 1.000 0.700 CB 0.450 Z: 22 13.705 1.823 0.490 0.566 0.857 0.762 CB 1.205 22 residues pruned to eliminate duplicates Z: 8 5.064 1.827 0.237 0.472 0.857 0.429 CB 1.017 8 residues pruned to eliminate duplicates Z: 8 5.414 1.885 0.513 0.857 1.000 1.000 CB 0.529 Z: 15 19.397 1.793 0.745 0.800 1.000 0.643 CB 1.275 15 residues pruned to eliminate duplicates Z: 7 7.059 1.860 0.306 0.561 1.000 0.667 CB 1.118 7 residues pruned to eliminate duplicates Z: 7 4.985 1.775 0.135 0.494 0.833 0.500 CB 1.219 7 residues pruned to eliminate duplicates Z: 15 17.438 1.735 0.612 0.889 0.929 0.714 CB 1.292 13 residues pruned to eliminate duplicates Z: 15 8.433 1.755 0.425 0.377 0.786 0.357 CB 1.309 14 residues pruned to eliminate duplicates Z: 9 6.825 1.650 0.466 0.415 0.875 0.375 CB 1.246 Z: 17 7.656 1.725 0.046 0.522 0.938 0.562 CB 1.107 17 residues pruned to eliminate duplicates Z: 13 16.165 1.847 0.467 0.810 1.000 0.583 CB 1.315 13 residues pruned to eliminate duplicates Z: 6 6.226 1.768 0.144 0.647 1.000 0.600 CB 1.201 Z: 7 5.097 1.545 0.363 0.789 1.000 0.500 CB 0.766 7 residues pruned to eliminate duplicates Z: 14 7.361 1.691 0.279 0.851 0.923 0.846 CB 0.757 13 residues pruned to eliminate duplicates Z: 13 4.682 1.448 0.396 0.409 0.833 0.667 CB 0.883 13 residues pruned to eliminate duplicates Z: 8 4.619 1.854 -0.045 0.349 0.857 0.714 CB 1.355 8 residues pruned to eliminate duplicates Z: 8 2.684 1.414 0.407 0.224 0.714 0.429 N 0.985 Z: 22 10.203 1.562 0.766 0.417 0.857 0.429 CB 1.027 29 residues pruned to eliminate duplicates Z: 11 10.615 1.651 0.862 0.660 0.800 0.800 CB 1.176 11 residues pruned to eliminate duplicates Z: 19 26.715 1.970 0.729 0.709 0.944 0.667 CA 1.619 19 residues pruned to eliminate duplicates Z: 8 8.499 1.921 0.325 0.591 1.000 0.429 CB 1.156 8 residues pruned to eliminate duplicates Z: 11 11.929 1.876 0.243 0.574 0.900 0.800 CA 1.674 11 residues pruned to eliminate duplicates Z: 7 5.406 1.376 0.915 0.611 1.000 0.667 CB 0.754 Z: 9 3.178 1.693 -0.048 0.476 0.875 0.500 CB 0.816 Z: 19 8.212 1.660 0.329 0.830 0.944 0.778 CB 0.699 19 residues pruned to eliminate duplicates Z: 21 6.886 1.760 0.368 0.188 0.800 0.500 CB 1.161 21 residues pruned to eliminate duplicates Z: 13 17.746 1.731 0.642 0.892 1.000 0.833 CB 1.295 13 residues pruned to eliminate duplicates Z: 15 21.620 1.826 0.977 0.930 1.000 0.786 CB 1.120 15 residues pruned to eliminate duplicates Z: 16 11.608 1.637 0.498 0.819 0.933 0.667 CB 0.993 16 residues pruned to eliminate duplicates Z: 9 12.949 1.933 0.500 0.595 0.875 0.750 CB 1.648 9 residues pruned to eliminate duplicates Z: 7 6.457 1.716 0.475 0.370 1.000 0.667 CB 1.197 Z: 6 6.641 1.698 1.157 0.445 0.800 0.400 CB 1.072 Z: 11 6.714 1.638 0.260 0.478 0.900 0.500 CB 1.169 9 residues pruned to eliminate duplicates Z: 11 14.710 1.692 1.040 0.878 1.000 0.500 CB 0.978 12 residues pruned to eliminate duplicates Z: 13 20.290 1.964 0.934 0.892 0.917 0.583 CB 1.209 13 residues pruned to eliminate duplicates Z: 7 6.017 1.878 0.174 0.528 1.000 0.667 CB 1.083 7 residues pruned to eliminate duplicates Z: 9 8.708 1.704 0.612 0.576 1.000 0.500 CB 1.041 9 residues pruned to eliminate duplicates Z: 9 7.772 1.749 0.768 0.829 1.000 0.625 CB 0.669 9 residues pruned to eliminate duplicates Z: 15 16.589 1.969 0.727 0.734 0.857 0.643 CB 1.232 15 residues pruned to eliminate duplicates Z: 15 24.896 2.079 0.696 0.912 1.000 0.857 CB 1.337 15 residues pruned to eliminate duplicates Z: 9 9.642 1.624 0.819 0.524 0.875 0.375 CB 1.288 Z: 7 5.757 1.812 0.193 0.549 1.000 0.667 CB 1.037 6 residues pruned to eliminate duplicates Z: 8 3.556 1.602 0.320 0.746 0.857 0.714 CB 0.595 Z: 14 14.958 1.762 0.685 0.816 0.923 0.462 CB 1.151 14 residues pruned to eliminate duplicates Z: 6 9.827 1.521 0.749 0.830 1.000 0.800 O 1.242 6 residues pruned to eliminate duplicates Z: 11 10.527 1.791 0.765 0.823 1.000 0.600 CB 0.796 11 residues pruned to eliminate duplicates Z: 16 9.097 1.873 0.392 0.381 0.933 0.733 CB 1.095 16 residues pruned to eliminate duplicates Z: 32 16.649 1.917 0.526 0.416 0.871 0.677 CB 1.281 32 residues pruned to eliminate duplicates Z: 13 9.397 1.730 0.696 0.596 0.917 0.667 CB 0.920 7 residues pruned to eliminate duplicates Z: 18 6.417 1.739 0.193 0.375 0.765 0.588 CB 1.121 18 residues pruned to eliminate duplicates Z: 16 15.678 1.777 0.326 0.851 1.000 0.800 CB 1.272 16 residues pruned to eliminate duplicates Z: 11 4.314 1.372 1.035 0.206 0.800 0.500 CB 0.865 Z: 10 5.487 1.657 0.315 0.411 0.889 0.556 CB 1.037 10 residues pruned to eliminate duplicates Z: 12 3.309 1.451 0.333 0.372 0.818 0.273 N 0.723 12 residues pruned to eliminate duplicates Z: 15 15.525 1.820 0.902 0.751 0.857 0.357 CB 1.118 15 residues pruned to eliminate duplicates Z: 15 11.241 1.550 0.743 0.529 0.857 0.571 CB 1.261 11 residues pruned to eliminate duplicates Z: 9 3.744 1.563 0.013 0.433 0.875 0.750 CB 1.025 Z: 25 10.870 1.706 0.713 0.384 0.792 0.458 CB 1.085 25 residues pruned to eliminate duplicates Z: 8 6.119 1.704 0.357 0.531 0.857 0.714 N 1.131 8 residues pruned to eliminate duplicates Z: 11 5.977 1.739 0.296 0.435 1.000 0.500 CB 0.897 10 residues pruned to eliminate duplicates Z: 10 5.466 1.713 0.187 0.487 0.889 0.667 CB 1.021 10 residues pruned to eliminate duplicates Z: 13 12.732 1.690 0.573 0.874 1.000 0.917 CB 1.007 13 residues pruned to eliminate duplicates Z: 8 4.069 1.424 0.358 0.528 0.857 0.429 CB 0.902 8 residues pruned to eliminate duplicates Z: 10 3.394 1.322 0.690 0.289 0.778 0.556 CB 0.825 Z: 13 2.388 1.363 0.101 0.193 0.583 0.417 CB 1.137 7 residues pruned to eliminate duplicates Z: 8 6.367 1.516 0.390 0.613 0.857 0.571 CB 1.197 9 residues pruned to eliminate duplicates Z: 7 4.545 1.438 0.458 0.599 1.000 0.833 CB 0.805 Z: 22 4.974 1.462 0.242 0.301 0.762 0.429 CB 0.979 34 residues pruned to eliminate duplicates 6 1.725 1.304 0.275 0.381 0.600 0.600 O 0.878 ? Z: 13 8.387 1.715 0.557 0.451 0.833 0.750 CB 1.144 17 residues pruned to eliminate duplicates Z: 30 14.833 1.814 0.484 0.486 0.828 0.586 CB 1.254 30 residues pruned to eliminate duplicates Z: 6 5.496 1.408 0.507 0.601 1.000 0.600 CB 1.052 Z: 10 11.318 1.752 0.549 0.664 1.000 0.667 CB 1.195 10 residues pruned to eliminate duplicates Z: 22 7.472 1.682 0.500 0.455 0.762 0.524 CB 0.888 19 residues pruned to eliminate duplicates Z: 8 3.278 1.334 0.364 0.685 0.714 0.429 CB 0.804 Z: 16 15.092 1.792 0.683 0.857 0.933 0.733 CB 1.020 16 residues pruned to eliminate duplicates Z: 10 16.658 1.836 0.721 0.809 1.000 0.667 CB 1.343 10 residues pruned to eliminate duplicates Z: 6 2.052 1.315 0.293 0.348 0.600 0.600 CA 1.060 Z: 10 9.686 1.733 0.329 0.446 1.000 0.444 N 1.482 10 residues pruned to eliminate duplicates 6 1.660 1.269 0.305 0.418 0.600 0.600 N 0.814 ? Z: 8 2.851 1.358 0.437 0.262 0.857 0.286 N 0.845 Z: 18 18.321 1.778 0.744 0.889 0.941 0.588 CB 1.096 18 residues pruned to eliminate duplicates Z: 8 3.007 1.646 -0.029 0.411 0.714 0.571 CB 1.092 Z: 13 7.519 1.827 0.559 0.374 0.750 0.583 CB 1.162 12 residues pruned to eliminate duplicates Z: 12 13.483 1.680 0.319 0.894 1.000 0.909 CB 1.315 12 residues pruned to eliminate duplicates Z: 6 2.345 1.545 0.144 0.298 0.600 0.400 N 1.240 Z: 12 18.364 1.866 0.532 0.906 1.000 1.000 CB 1.378 12 residues pruned to eliminate duplicates Z: 10 9.118 1.855 0.380 0.441 0.778 0.667 CA 1.622 10 residues pruned to eliminate duplicates Z: 7 4.170 1.439 0.379 0.359 1.000 0.667 CB 0.999 Z: 9 6.274 1.603 0.743 0.413 0.875 0.750 CB 0.994 Z: 16 19.712 1.926 0.707 0.719 0.933 0.667 CB 1.360 16 residues pruned to eliminate duplicates Z: 15 14.615 1.797 0.616 0.843 0.929 0.786 CB 1.079 15 residues pruned to eliminate duplicates Z: 24 17.887 1.897 0.371 0.626 0.957 0.609 CB 1.333 24 residues pruned to eliminate duplicates Z: 6 2.051 1.706 0.794 0.796 1.000 0.800 CB 0.231 6 residues pruned to eliminate duplicates Z: 14 12.600 1.757 0.762 0.600 0.769 0.692 CB 1.334 12 residues pruned to eliminate duplicates Z: 6 7.044 1.895 0.151 0.777 1.000 0.800 CB 1.132 6 residues pruned to eliminate duplicates Z: 11 13.567 1.781 0.079 0.902 1.000 0.900 N 1.594 11 residues pruned to eliminate duplicates Z: 8 8.526 1.846 0.301 0.643 0.857 0.714 CB 1.369 8 residues pruned to eliminate duplicates Z: 14 9.011 1.802 0.103 0.588 1.000 0.615 CB 1.155 14 residues pruned to eliminate duplicates Z: 14 13.985 1.657 0.446 0.791 0.923 0.538 CB 1.358 14 residues pruned to eliminate duplicates Z: 11 17.365 1.792 0.855 0.813 0.900 0.700 CB 1.398 11 residues pruned to eliminate duplicates Z: 9 3.786 1.464 0.177 0.368 0.875 0.250 CB 1.023 Z: 24 12.090 1.752 0.277 0.556 0.957 0.609 CB 1.115 24 residues pruned to eliminate duplicates Z: 14 5.834 1.626 0.221 0.419 0.769 0.462 CB 1.154 14 residues pruned to eliminate duplicates Z: 13 12.701 1.720 0.706 0.819 0.917 0.667 CB 1.033 13 residues pruned to eliminate duplicates Z: 14 13.167 1.804 0.276 0.851 0.923 0.846 CB 1.273 14 residues pruned to eliminate duplicates Z: 15 10.791 1.753 0.704 0.851 0.929 0.786 CB 0.770 9 residues pruned to eliminate duplicates Z: 6 3.963 1.350 0.515 0.831 1.000 0.600 CB 0.651 Z: 6 4.094 1.474 0.256 0.669 0.800 0.800 C 1.058 7 residues pruned to eliminate duplicates Z: 7 2.647 1.328 0.182 0.525 1.000 0.833 CB 0.672 Z: 9 5.124 1.466 0.325 0.762 0.875 0.625 CB 0.844 9 residues pruned to eliminate duplicates Z: 7 6.051 1.682 0.386 0.511 0.833 0.500 CB 1.257 Z: 17 14.663 1.636 0.414 0.871 1.000 0.812 CB 1.156 17 residues pruned to eliminate duplicates Z: 17 27.489 2.060 0.550 0.910 1.000 0.875 CB 1.526 16 residues pruned to eliminate duplicates Z: 13 5.575 1.717 0.140 0.424 0.750 0.417 CB 1.186 21 residues pruned to eliminate duplicates Z: 17 12.345 1.744 0.451 0.816 0.938 0.812 CB 0.989 17 residues pruned to eliminate duplicates Z: 9 12.594 1.966 0.503 0.660 1.000 0.750 CB 1.299 9 residues pruned to eliminate duplicates Z: 9 3.658 1.691 0.249 0.367 0.750 0.125 CB 0.941 6 residues pruned to eliminate duplicates 6 1.880 1.352 0.229 0.353 0.600 0.600 N 0.989 ? Z: 7 4.890 1.642 0.430 0.552 0.833 0.833 CB 0.970 Using tripeptides from previous cycle as seeds Z: 8 7.680 1.670 0.586 0.652 0.857 0.571 CB 1.110 8 residues pruned to eliminate duplicates Z: 13 10.899 1.749 0.677 0.534 0.917 0.833 N 1.132 10 residues pruned to eliminate duplicates Z: 6 4.987 1.448 0.902 0.468 1.000 0.800 CA 0.837 5 residues pruned to eliminate duplicates Z: 7 4.491 1.396 0.277 0.400 1.000 0.500 O 1.143 7 residues pruned to eliminate duplicates Z: 6 5.443 1.804 0.361 0.468 0.800 0.800 CB 1.280 6 residues pruned to eliminate duplicates Z: 9 7.343 1.666 0.511 0.443 0.875 0.500 N 1.251 9 residues pruned to eliminate duplicates Z: 6 3.996 1.414 0.566 0.299 1.000 0.400 CB 1.010 5 residues pruned to eliminate duplicates Z: 6 5.573 1.609 0.590 0.293 1.000 0.600 CB 1.228 6 residues pruned to eliminate duplicates Z: 14 8.120 1.863 0.070 0.474 0.923 0.615 CB 1.255 14 residues pruned to eliminate duplicates Z: 18 9.314 1.811 0.242 0.453 0.941 0.588 CB 1.120 18 residues pruned to eliminate duplicates Z: 12 8.598 1.645 0.286 0.525 1.000 0.455 CB 1.195 12 residues pruned to eliminate duplicates Z: 14 9.192 1.832 0.294 0.465 0.846 0.615 CB 1.316 14 residues pruned to eliminate duplicates Z: 15 10.269 1.840 0.318 0.385 0.929 0.500 CB 1.378 15 residues pruned to eliminate duplicates Z: 15 6.909 1.770 0.216 0.372 0.929 0.429 CB 1.060 15 residues pruned to eliminate duplicates Z: 14 9.285 1.760 0.393 0.490 1.000 0.615 CB 1.062 14 residues pruned to eliminate duplicates Z: 19 9.696 1.809 0.285 0.439 0.944 0.500 CB 1.109 19 residues pruned to eliminate duplicates Z: 19 8.593 1.778 0.267 0.427 0.833 0.389 CB 1.164 19 residues pruned to eliminate duplicates Z: 11 6.160 1.607 0.181 0.640 1.000 0.700 CB 0.901 9 residues pruned to eliminate duplicates Z: 8 5.435 1.440 0.214 0.812 0.857 0.714 CB 1.045 8 residues pruned to eliminate duplicates Z: 16 7.189 1.776 0.137 0.478 0.800 0.533 CB 1.174 16 residues pruned to eliminate duplicates Z: 11 8.362 1.764 0.263 0.480 1.000 0.600 CB 1.211 11 residues pruned to eliminate duplicates Z: 13 13.376 1.673 0.681 0.866 0.917 0.917 CB 1.097 13 residues pruned to eliminate duplicates Z: 12 13.339 1.766 0.396 0.890 1.000 0.909 CB 1.174 11 residues pruned to eliminate duplicates Z: 12 17.658 1.742 0.736 0.911 1.000 0.909 CB 1.248 12 residues pruned to eliminate duplicates Z: 15 13.422 1.690 0.483 0.933 0.929 0.929 CB 1.076 15 residues pruned to eliminate duplicates Z: 7 2.483 1.541 0.471 0.676 0.667 0.500 CB 0.570 7 residues pruned to eliminate duplicates Z: 6 5.146 1.725 1.153 0.737 0.800 0.400 CB 0.626 6 residues pruned to eliminate duplicates Z: 17 7.971 1.646 0.303 0.471 0.812 0.312 N 1.178 17 residues pruned to eliminate duplicates Z: 12 6.913 1.655 0.511 0.398 0.818 0.545 N 1.135 12 residues pruned to eliminate duplicates Z: 13 11.937 1.736 0.591 0.847 0.917 0.500 N 1.010 13 residues pruned to eliminate duplicates Z: 14 5.844 1.614 0.319 0.423 0.692 0.538 CB 1.191 14 residues pruned to eliminate duplicates Z: 12 7.453 1.747 0.075 0.561 0.909 0.455 CB 1.240 12 residues pruned to eliminate duplicates Z: 17 11.287 1.743 0.425 0.656 0.875 0.562 CB 1.124 17 residues pruned to eliminate duplicates Z: 13 9.087 1.677 0.325 0.566 0.917 0.667 CB 1.208 13 residues pruned to eliminate duplicates Z: 9 7.286 1.780 0.435 0.418 0.875 0.625 CB 1.255 9 residues pruned to eliminate duplicates Z: 9 5.933 1.693 0.354 0.420 1.000 0.750 CB 0.995 9 residues pruned to eliminate duplicates Z: 12 11.377 1.777 0.403 0.566 1.000 0.636 CB 1.291 12 residues pruned to eliminate duplicates Z: 10 6.580 1.661 0.188 0.488 0.889 0.667 CB 1.266 10 residues pruned to eliminate duplicates Z: 9 7.007 1.794 0.227 0.412 1.000 0.750 CB 1.234 9 residues pruned to eliminate duplicates Z: 9 5.894 1.880 0.135 0.422 0.875 0.625 CB 1.211 8 residues pruned to eliminate duplicates Z: 15 17.285 1.875 0.440 0.887 1.000 0.857 CB 1.233 15 residues pruned to eliminate duplicates Z: 28 19.289 1.931 0.595 0.584 0.926 0.630 CB 1.201 28 residues pruned to eliminate duplicates Z: 26 20.202 1.937 0.597 0.614 0.960 0.600 CB 1.222 26 residues pruned to eliminate duplicates Z: 23 18.549 2.004 0.576 0.624 0.955 0.636 CB 1.167 23 residues pruned to eliminate duplicates Z: 29 22.259 1.904 0.831 0.568 0.964 0.571 CB 1.171 26 residues pruned to eliminate duplicates Z: 13 20.247 1.903 0.727 0.846 1.000 0.750 CB 1.321 13 residues pruned to eliminate duplicates Z: 25 20.753 1.962 0.683 0.636 0.917 0.667 CB 1.232 25 residues pruned to eliminate duplicates Z: 25 24.676 1.987 0.846 0.636 0.917 0.583 CB 1.318 27 residues pruned to eliminate duplicates Z: 13 23.587 1.989 1.006 0.914 1.000 0.917 CB 1.207 13 residues pruned to eliminate duplicates Z: 28 22.555 1.913 0.770 0.600 0.926 0.630 CB 1.259 28 residues pruned to eliminate duplicates Z: 12 15.281 1.897 0.719 0.860 0.818 0.455 CB 1.270 12 residues pruned to eliminate duplicates Z: 25 22.282 2.006 0.711 0.616 0.917 0.625 CB 1.295 25 residues pruned to eliminate duplicates Z: 23 9.226 1.677 0.600 0.304 0.773 0.409 CB 1.180 16 residues pruned to eliminate duplicates Z: 17 20.145 1.985 0.775 0.765 0.938 0.562 CB 1.205 17 residues pruned to eliminate duplicates Z: 27 20.631 1.956 0.733 0.556 0.923 0.538 CB 1.225 27 residues pruned to eliminate duplicates Z: 27 20.818 1.954 0.760 0.570 0.923 0.615 CB 1.202 27 residues pruned to eliminate duplicates Z: 26 18.857 1.971 0.597 0.616 0.880 0.560 CB 1.220 26 residues pruned to eliminate duplicates Z: 25 19.095 2.008 0.618 0.573 0.875 0.583 CB 1.278 25 residues pruned to eliminate duplicates Z: 25 16.559 1.965 0.593 0.601 0.833 0.583 CB 1.177 25 residues pruned to eliminate duplicates Z: 24 18.271 2.002 0.607 0.617 0.870 0.609 CB 1.219 24 residues pruned to eliminate duplicates Z: 26 20.099 1.973 0.711 0.580 0.880 0.560 CB 1.253 26 residues pruned to eliminate duplicates Z: 25 24.661 1.954 0.957 0.651 0.917 0.750 CB 1.248 33 residues pruned to eliminate duplicates Z: 6 4.045 1.537 0.594 0.265 0.800 0.200 CB 1.206 6 residues pruned to eliminate duplicates Z: 14 16.445 2.003 0.636 0.546 1.000 0.462 CB 1.330 14 residues pruned to eliminate duplicates Z: 13 13.145 2.009 0.683 0.506 0.833 0.583 CB 1.338 13 residues pruned to eliminate duplicates Z: 13 14.569 1.934 0.624 0.517 0.917 0.667 CB 1.436 13 residues pruned to eliminate duplicates Z: 25 13.118 1.878 0.528 0.582 0.917 0.583 CB 0.940 33 residues pruned to eliminate duplicates Z: 6 3.696 1.614 0.657 0.199 0.800 0.200 CA 1.105 6 residues pruned to eliminate duplicates Z: 41 21.794 1.967 0.605 0.526 0.850 0.500 CB 1.251 53 residues pruned to eliminate duplicates Z: 6 8.620 1.793 0.632 0.424 1.000 0.800 CA 1.425 6 residues pruned to eliminate duplicates Z: 36 15.967 1.890 0.414 0.521 0.857 0.543 CB 1.154 36 residues pruned to eliminate duplicates Z: 25 16.502 1.901 0.598 0.486 0.833 0.542 CB 1.350 25 residues pruned to eliminate duplicates Z: 25 20.301 1.966 0.668 0.567 0.833 0.583 CB 1.421 27 residues pruned to eliminate duplicates Z: 7 8.449 1.600 0.825 0.642 0.833 0.500 CB 1.241 7 residues pruned to eliminate duplicates Z: 31 17.769 1.889 0.651 0.476 0.833 0.533 CB 1.278 24 residues pruned to eliminate duplicates Z: 6 2.310 1.465 0.873 0.315 0.600 0.400 CA 0.770 6 residues pruned to eliminate duplicates Z: 14 10.386 1.847 0.594 0.445 0.769 0.462 CB 1.346 14 residues pruned to eliminate duplicates Z: 27 14.042 1.906 0.402 0.456 0.808 0.654 CB 1.335 27 residues pruned to eliminate duplicates Z: 14 12.570 1.824 0.601 0.485 1.000 0.538 N 1.213 14 residues pruned to eliminate duplicates Z: 13 10.032 1.822 0.615 0.415 0.833 0.667 N 1.291 13 residues pruned to eliminate duplicates Z: 15 12.730 1.744 0.719 0.508 0.929 0.357 N 1.213 15 residues pruned to eliminate duplicates Z: 25 21.344 2.018 0.510 0.638 0.833 0.792 CB 1.508 25 residues pruned to eliminate duplicates Z: 25 24.211 2.000 0.680 0.579 0.917 0.625 CB 1.488 25 residues pruned to eliminate duplicates Z: 24 26.570 2.040 0.654 0.649 0.957 0.783 CB 1.495 24 residues pruned to eliminate duplicates Z: 15 19.549 2.073 0.491 0.848 0.929 0.929 CB 1.350 15 residues pruned to eliminate duplicates Z: 24 26.158 2.020 0.638 0.671 0.957 0.826 CB 1.472 24 residues pruned to eliminate duplicates Z: 24 23.456 2.057 0.598 0.611 0.913 0.652 CB 1.468 24 residues pruned to eliminate duplicates Z: 21 23.089 1.997 0.536 0.585 0.950 0.700 N 1.634 21 residues pruned to eliminate duplicates Z: 21 23.061 1.928 0.722 0.599 0.950 0.550 CB 1.488 21 residues pruned to eliminate duplicates Z: 20 17.699 1.934 0.495 0.609 0.842 0.737 CB 1.503 20 residues pruned to eliminate duplicates Z: 22 20.012 1.904 0.663 0.548 0.857 0.667 CB 1.535 22 residues pruned to eliminate duplicates Z: 24 29.899 2.053 0.836 0.640 0.913 0.739 CB 1.589 24 residues pruned to eliminate duplicates Z: 11 20.707 1.962 0.638 0.847 1.000 0.900 N 1.513 11 residues pruned to eliminate duplicates Z: 22 22.464 1.887 0.787 0.500 0.952 0.571 CB 1.527 22 residues pruned to eliminate duplicates Z: 23 22.533 1.979 0.654 0.570 0.909 0.636 CB 1.509 23 residues pruned to eliminate duplicates Z: 21 24.670 2.019 0.706 0.590 0.950 0.650 CB 1.546 21 residues pruned to eliminate duplicates Z: 20 15.354 1.912 0.541 0.471 0.789 0.579 N 1.560 22 residues pruned to eliminate duplicates Z: 6 3.459 1.603 0.347 0.214 0.800 0.400 N 1.253 6 residues pruned to eliminate duplicates Z: 11 7.174 1.773 0.454 0.410 0.700 0.600 N 1.380 11 residues pruned to eliminate duplicates Z: 22 14.637 1.872 0.379 0.491 0.810 0.524 CB 1.542 22 residues pruned to eliminate duplicates Z: 24 28.969 2.044 0.610 0.683 0.957 0.783 CB 1.622 24 residues pruned to eliminate duplicates Z: 6 4.355 1.503 0.743 0.481 1.000 0.600 N 0.758 6 residues pruned to eliminate duplicates Z: 18 27.291 2.085 0.512 0.848 1.000 0.765 CB 1.558 18 residues pruned to eliminate duplicates Z: 25 22.818 1.962 0.437 0.745 1.000 0.750 CB 1.328 27 residues pruned to eliminate duplicates Z: 18 25.280 2.024 0.461 0.852 1.000 0.706 CB 1.533 18 residues pruned to eliminate duplicates Z: 23 24.291 2.037 0.390 0.813 1.000 0.727 CB 1.393 23 residues pruned to eliminate duplicates Z: 15 21.115 2.060 0.648 0.759 0.929 0.786 CB 1.421 15 residues pruned to eliminate duplicates Z: 14 16.139 2.063 0.477 0.698 0.846 0.692 CB 1.450 14 residues pruned to eliminate duplicates Z: 24 24.232 1.922 0.491 0.779 1.000 0.652 CB 1.378 24 residues pruned to eliminate duplicates Z: 21 21.434 2.025 0.422 0.756 0.950 0.600 CB 1.395 21 residues pruned to eliminate duplicates Z: 22 26.285 2.041 0.547 0.836 1.000 0.714 CB 1.359 21 residues pruned to eliminate duplicates Z: 18 24.690 1.957 0.596 0.913 0.941 0.765 CB 1.441 18 residues pruned to eliminate duplicates Z: 22 29.578 2.062 0.653 0.846 1.000 0.762 CB 1.407 22 residues pruned to eliminate duplicates Z: 17 24.355 2.074 0.449 0.935 1.000 1.000 CB 1.412 17 residues pruned to eliminate duplicates Z: 25 26.581 1.931 0.660 0.730 0.958 0.750 CB 1.436 24 residues pruned to eliminate duplicates Z: 18 25.642 2.002 0.640 0.914 0.941 0.824 CB 1.423 18 residues pruned to eliminate duplicates Z: 23 29.167 2.011 0.595 0.793 1.000 0.773 CB 1.499 23 residues pruned to eliminate duplicates Z: 17 28.841 2.048 0.642 0.914 1.000 0.875 CB 1.516 17 residues pruned to eliminate duplicates Z: 24 27.539 1.992 0.757 0.768 0.957 0.522 CB 1.353 24 residues pruned to eliminate duplicates Z: 24 27.271 1.981 0.647 0.775 1.000 0.783 CB 1.367 24 residues pruned to eliminate duplicates Z: 23 30.868 2.027 0.758 0.787 1.000 0.682 CB 1.435 23 residues pruned to eliminate duplicates Z: 29 22.045 1.893 0.788 0.719 1.000 0.607 CB 1.010 29 residues pruned to eliminate duplicates Z: 27 23.426 1.982 0.615 0.703 1.000 0.615 CB 1.194 27 residues pruned to eliminate duplicates Z: 28 24.567 1.946 0.884 0.648 0.926 0.667 CB 1.213 28 residues pruned to eliminate duplicates Z: 26 15.002 1.882 0.489 0.694 0.840 0.560 CB 1.067 26 residues pruned to eliminate duplicates Z: 11 11.467 1.791 0.471 0.671 0.900 0.800 CB 1.306 11 residues pruned to eliminate duplicates Z: 14 7.521 1.905 0.354 0.402 0.692 0.462 CB 1.295 14 residues pruned to eliminate duplicates Z: 21 16.341 1.942 0.481 0.693 0.900 0.650 CB 1.184 21 residues pruned to eliminate duplicates Z: 17 14.133 1.912 0.642 0.730 0.875 0.750 CB 1.046 17 residues pruned to eliminate duplicates Z: 18 16.943 1.940 0.703 0.739 0.882 0.706 CB 1.138 18 residues pruned to eliminate duplicates Z: 17 15.734 1.712 0.690 0.871 0.938 0.875 CB 1.058 17 residues pruned to eliminate duplicates Z: 19 12.744 1.811 0.684 0.654 0.778 0.611 CB 1.098 19 residues pruned to eliminate duplicates Z: 21 17.834 1.952 0.528 0.680 0.900 0.600 CB 1.259 21 residues pruned to eliminate duplicates Z: 16 13.716 1.952 0.643 0.629 0.800 0.533 CB 1.222 17 residues pruned to eliminate duplicates Z: 15 17.996 1.836 0.787 0.801 0.929 0.786 CB 1.214 15 residues pruned to eliminate duplicates Z: 16 12.756 1.915 0.649 0.571 0.867 0.400 CB 1.123 16 residues pruned to eliminate duplicates Z: 16 13.572 1.923 0.590 0.564 0.867 0.467 CB 1.242 16 residues pruned to eliminate duplicates Z: 13 14.405 1.885 0.673 0.823 1.000 0.667 CB 0.997 13 residues pruned to eliminate duplicates Z: 15 14.680 1.819 0.274 0.723 0.929 0.714 CB 1.491 15 residues pruned to eliminate duplicates Z: 13 13.681 1.782 0.378 0.759 0.917 0.667 N 1.394 13 residues pruned to eliminate duplicates Z: 16 11.415 1.765 0.357 0.615 0.867 0.467 CB 1.273 16 residues pruned to eliminate duplicates Z: 15 11.305 1.782 0.401 0.616 0.786 0.429 CB 1.379 15 residues pruned to eliminate duplicates Z: 18 10.789 1.643 0.314 0.571 0.882 0.529 CB 1.283 18 residues pruned to eliminate duplicates Z: 14 14.632 1.828 0.462 0.629 0.923 0.769 CB 1.457 14 residues pruned to eliminate duplicates Z: 13 13.073 1.834 0.330 0.647 0.917 0.583 CB 1.472 13 residues pruned to eliminate duplicates Z: 16 15.391 1.786 0.611 0.543 0.867 0.600 CB 1.527 14 residues pruned to eliminate duplicates Z: 12 16.550 1.893 0.411 0.796 1.000 0.818 CB 1.441 12 residues pruned to eliminate duplicates Z: 14 18.093 1.733 0.441 0.837 1.000 0.692 N 1.502 14 residues pruned to eliminate duplicates Z: 19 10.964 1.687 0.348 0.570 0.889 0.556 CB 1.194 19 residues pruned to eliminate duplicates Z: 18 18.041 1.842 0.751 0.594 0.941 0.471 CB 1.317 11 residues pruned to eliminate duplicates Z: 12 17.929 1.833 1.021 0.800 0.909 0.727 CB 1.235 12 residues pruned to eliminate duplicates Z: 11 16.667 1.990 1.035 0.698 0.900 0.600 CB 1.207 11 residues pruned to eliminate duplicates Z: 11 15.370 1.987 0.605 0.778 1.000 0.800 CB 1.193 11 residues pruned to eliminate duplicates Z: 13 12.315 1.900 0.577 0.631 1.000 0.750 CB 1.049 12 residues pruned to eliminate duplicates Z: 10 20.175 1.956 0.920 0.803 1.000 0.556 CB 1.375 12 residues pruned to eliminate duplicates Z: 12 17.026 1.829 0.474 0.911 1.000 0.909 CB 1.349 12 residues pruned to eliminate duplicates Z: 14 14.178 1.859 0.690 0.599 1.000 0.615 CB 1.138 14 residues pruned to eliminate duplicates Z: 10 16.068 1.935 0.539 0.797 1.000 0.778 CB 1.387 10 residues pruned to eliminate duplicates Z: 11 20.056 1.862 0.837 0.775 1.000 0.600 CB 1.455 11 residues pruned to eliminate duplicates Z: 15 13.749 1.718 0.509 0.714 0.929 0.714 CB 1.257 15 residues pruned to eliminate duplicates Z: 15 14.157 1.932 0.410 0.583 0.929 0.571 CB 1.382 15 residues pruned to eliminate duplicates Z: 18 13.262 1.825 0.411 0.496 0.882 0.412 CB 1.422 31 residues pruned to eliminate duplicates Z: 10 20.439 1.998 0.601 0.917 1.000 1.000 CB 1.503 Z: 14 16.743 1.727 0.628 0.820 1.000 0.769 CB 1.252 11 residues pruned to eliminate duplicates Z: 10 12.753 1.833 0.661 0.887 1.000 0.889 CB 1.007 10 residues pruned to eliminate duplicates Z: 7 13.534 2.068 0.605 0.879 1.000 1.000 CB 1.207 7 residues pruned to eliminate duplicates Z: 12 7.924 1.867 0.340 0.611 0.818 0.636 CB 1.051 12 residues pruned to eliminate duplicates Z: 35 15.201 1.889 0.617 0.410 0.765 0.647 CB 1.227 35 residues pruned to eliminate duplicates Z: 35 16.891 1.894 0.672 0.410 0.794 0.588 CB 1.266 35 residues pruned to eliminate duplicates Z: 13 9.410 1.855 0.757 0.421 0.833 0.750 CB 1.086 13 residues pruned to eliminate duplicates Z: 41 20.822 1.932 0.487 0.457 0.900 0.600 CB 1.331 42 residues pruned to eliminate duplicates Z: 6 5.186 1.735 0.472 0.295 0.800 0.600 O 1.429 6 residues pruned to eliminate duplicates Z: 29 16.902 1.980 0.506 0.359 0.893 0.536 CB 1.396 29 residues pruned to eliminate duplicates Z: 28 19.542 2.021 0.595 0.446 0.889 0.519 CB 1.387 28 residues pruned to eliminate duplicates Z: 28 14.756 1.879 0.599 0.347 0.889 0.630 CB 1.256 28 residues pruned to eliminate duplicates Z: 29 17.365 2.002 0.549 0.423 0.893 0.679 CB 1.284 29 residues pruned to eliminate duplicates Z: 32 18.922 1.956 0.595 0.389 0.903 0.613 CB 1.357 32 residues pruned to eliminate duplicates Z: 24 13.688 1.957 0.502 0.323 0.870 0.609 CB 1.356 24 residues pruned to eliminate duplicates Z: 28 16.166 1.982 0.457 0.421 0.926 0.519 CB 1.263 28 residues pruned to eliminate duplicates Z: 40 23.980 1.951 0.646 0.494 0.949 0.564 CB 1.268 40 residues pruned to eliminate duplicates Z: 28 20.514 2.015 0.675 0.404 0.963 0.667 CB 1.344 28 residues pruned to eliminate duplicates Z: 23 16.839 1.972 0.609 0.473 0.864 0.545 CB 1.347 23 residues pruned to eliminate duplicates Z: 21 19.121 1.987 0.575 0.563 0.900 0.500 CB 1.428 21 residues pruned to eliminate duplicates Z: 30 16.421 1.958 0.573 0.401 0.828 0.586 CB 1.327 30 residues pruned to eliminate duplicates Z: 32 20.851 1.939 0.671 0.540 0.839 0.548 CB 1.326 32 residues pruned to eliminate duplicates Z: 21 19.243 1.987 0.750 0.492 0.850 0.700 CB 1.468 21 residues pruned to eliminate duplicates Z: 42 22.529 1.944 0.623 0.494 0.878 0.561 CB 1.278 42 residues pruned to eliminate duplicates Z: 20 20.650 2.039 0.735 0.566 0.947 0.684 CB 1.326 20 residues pruned to eliminate duplicates Z: 28 20.732 2.007 0.688 0.450 0.889 0.630 CB 1.394 28 residues pruned to eliminate duplicates Z: 21 17.010 1.949 0.600 0.485 0.900 0.700 CB 1.376 21 residues pruned to eliminate duplicates Z: 19 21.364 2.024 0.774 0.571 0.944 0.667 CB 1.386 19 residues pruned to eliminate duplicates Z: 7 10.650 1.994 0.464 0.706 1.000 1.000 CB 1.235 7 residues pruned to eliminate duplicates Z: 8 8.802 1.938 0.375 0.611 1.000 0.714 CB 1.124 8 residues pruned to eliminate duplicates Z: 20 15.970 1.957 0.572 0.508 0.895 0.579 CB 1.320 20 residues pruned to eliminate duplicates Z: 11 8.995 1.885 0.381 0.544 1.000 0.500 CB 1.047 11 residues pruned to eliminate duplicates Z: 15 14.019 1.903 0.604 0.509 0.929 0.714 CB 1.310 15 residues pruned to eliminate duplicates Z: 7 4.817 1.454 0.747 0.412 1.000 0.667 CB 0.849 7 residues pruned to eliminate duplicates Z: 23 11.783 1.809 0.483 0.359 0.818 0.500 CB 1.332 13 residues pruned to eliminate duplicates Z: 8 4.016 1.408 0.620 0.245 0.857 0.714 CB 1.042 8 residues pruned to eliminate duplicates Z: 16 10.561 1.801 0.486 0.400 0.867 0.533 CB 1.306 16 residues pruned to eliminate duplicates Z: 14 11.940 1.997 0.430 0.430 0.923 0.615 CB 1.350 14 residues pruned to eliminate duplicates Z: 18 11.200 1.886 0.444 0.409 0.941 0.647 CB 1.165 18 residues pruned to eliminate duplicates Z: 16 14.149 1.980 0.588 0.498 0.867 0.733 CB 1.343 16 residues pruned to eliminate duplicates Z: 17 13.451 1.964 0.436 0.501 0.938 0.750 CB 1.271 17 residues pruned to eliminate duplicates Z: 20 13.319 1.916 0.562 0.499 0.895 0.579 CB 1.143 24 residues pruned to eliminate duplicates Z: 6 7.416 1.615 0.490 0.717 1.000 0.400 CB 1.132 9 residues pruned to eliminate duplicates Z: 7 5.296 1.737 0.094 0.597 1.000 0.167 CB 1.036 7 residues pruned to eliminate duplicates Z: 14 19.754 1.902 0.713 0.906 1.000 0.615 CB 1.196 14 residues pruned to eliminate duplicates Z: 15 17.985 1.869 0.610 0.860 1.000 0.714 CB 1.175 15 residues pruned to eliminate duplicates Z: 14 21.463 1.915 0.835 0.920 1.000 0.538 CB 1.193 14 residues pruned to eliminate duplicates Z: 15 16.009 1.844 0.622 0.864 0.929 0.643 CB 1.130 15 residues pruned to eliminate duplicates Z: 14 19.971 1.905 0.706 0.905 1.000 0.692 CB 1.214 14 residues pruned to eliminate duplicates Z: 14 19.722 1.903 0.703 0.900 1.000 0.692 CB 1.205 14 residues pruned to eliminate duplicates Z: 14 20.383 1.908 0.911 0.903 0.923 0.692 CB 1.197 14 residues pruned to eliminate duplicates Z: 13 17.944 1.923 0.956 0.913 0.833 0.667 CB 1.170 13 residues pruned to eliminate duplicates Z: 15 18.248 1.863 0.806 0.859 0.929 0.429 CB 1.148 15 residues pruned to eliminate duplicates Z: 14 14.108 1.881 0.878 0.877 0.692 0.538 CB 1.162 14 residues pruned to eliminate duplicates Z: 14 23.147 1.876 0.960 0.856 1.000 0.462 CB 1.287 16 residues pruned to eliminate duplicates Z: 14 18.052 1.890 1.014 0.856 0.923 0.692 CB 1.051 14 residues pruned to eliminate duplicates Z: 14 15.066 1.842 1.109 0.843 0.846 0.538 CB 0.946 14 residues pruned to eliminate duplicates Z: 20 12.914 1.840 0.811 0.598 0.789 0.579 CB 1.026 20 residues pruned to eliminate duplicates Z: 20 12.486 1.801 0.790 0.605 0.737 0.474 CB 1.092 20 residues pruned to eliminate duplicates Z: 14 5.374 1.722 0.221 0.411 0.769 0.308 CB 1.011 14 residues pruned to eliminate duplicates Z: 21 10.131 1.738 0.475 0.597 0.900 0.650 CB 0.895 21 residues pruned to eliminate duplicates Z: 14 13.723 1.912 0.536 0.827 1.000 0.769 CB 0.977 14 residues pruned to eliminate duplicates Z: 27 16.322 1.738 0.827 0.753 0.846 0.500 CB 0.951 27 residues pruned to eliminate duplicates Z: 19 9.671 1.737 0.378 0.638 0.889 0.444 CB 0.942 19 residues pruned to eliminate duplicates Z: 11 9.720 1.795 0.440 0.544 1.000 0.700 CB 1.139 11 residues pruned to eliminate duplicates Z: 12 6.196 1.767 0.473 0.500 0.818 0.545 CB 0.877 12 residues pruned to eliminate duplicates Z: 21 11.195 1.724 0.616 0.619 0.850 0.500 CB 0.944 21 residues pruned to eliminate duplicates Z: 19 15.834 1.866 0.458 0.728 1.000 0.833 CB 1.117 19 residues pruned to eliminate duplicates Z: 22 11.469 1.767 0.485 0.589 0.762 0.524 CB 1.149 22 residues pruned to eliminate duplicates Z: 29 16.629 1.831 0.572 0.713 0.964 0.571 CB 0.934 28 residues pruned to eliminate duplicates Z: 20 18.978 1.695 0.721 0.896 1.000 0.737 CB 1.069 20 residues pruned to eliminate duplicates Z: 18 15.658 1.837 0.540 0.828 0.941 0.765 CB 1.074 18 residues pruned to eliminate duplicates Z: 38 15.800 1.788 0.390 0.598 0.892 0.568 CB 1.067 42 residues pruned to eliminate duplicates Z: 16 16.689 1.858 0.522 0.899 1.000 0.867 CB 1.089 16 residues pruned to eliminate duplicates Z: 22 13.201 1.853 0.402 0.626 0.952 0.714 CB 1.034 22 residues pruned to eliminate duplicates Z: 11 6.572 1.817 0.249 0.293 1.000 0.500 CB 1.155 11 residues pruned to eliminate duplicates Z: 11 3.676 1.792 0.111 0.248 0.700 0.500 CB 1.116 11 residues pruned to eliminate duplicates Z: 11 3.318 1.651 0.040 0.334 0.800 0.400 CB 0.916 11 residues pruned to eliminate duplicates Z: 24 14.284 1.831 0.615 0.636 0.957 0.609 CB 0.927 24 residues pruned to eliminate duplicates Z: 22 7.929 1.773 0.312 0.521 0.857 0.429 CB 0.851 22 residues pruned to eliminate duplicates Z: 9 4.146 1.783 0.073 0.561 1.000 0.625 CB 0.722 9 residues pruned to eliminate duplicates Z: 15 6.393 1.826 0.073 0.582 0.929 0.714 CB 0.868 15 residues pruned to eliminate duplicates Z: 21 15.021 1.880 0.564 0.653 0.950 0.700 CB 1.044 21 residues pruned to eliminate duplicates Z: 22 13.126 1.825 0.481 0.660 0.952 0.714 CB 0.959 22 residues pruned to eliminate duplicates Z: 45 18.062 1.787 0.455 0.543 0.909 0.545 CB 1.105 45 residues pruned to eliminate duplicates Z: 22 12.227 1.803 0.508 0.668 0.905 0.667 CB 0.928 22 residues pruned to eliminate duplicates Z: 13 14.371 1.866 0.843 0.652 1.000 0.833 CB 1.047 13 residues pruned to eliminate duplicates Z: 13 6.556 1.821 0.254 0.702 0.917 0.500 CB 0.752 13 residues pruned to eliminate duplicates Z: 12 7.447 1.795 0.598 0.703 1.000 0.636 CB 0.650 12 residues pruned to eliminate duplicates Z: 10 9.931 1.802 0.585 0.592 0.889 0.667 CB 1.193 10 residues pruned to eliminate duplicates Z: 8 15.640 2.028 0.834 0.533 1.000 0.714 CB 1.538 8 residues pruned to eliminate duplicates Z: 21 14.540 1.917 0.489 0.669 1.000 0.750 CB 0.974 21 residues pruned to eliminate duplicates Z: 23 12.860 1.879 0.371 0.652 1.000 0.682 CB 0.924 23 residues pruned to eliminate duplicates Z: 10 12.082 1.889 0.671 0.638 1.000 0.778 CB 1.121 10 residues pruned to eliminate duplicates Z: 22 13.443 1.862 0.367 0.695 1.000 0.667 CB 0.964 22 residues pruned to eliminate duplicates Z: 31 12.382 1.751 0.520 0.520 0.833 0.500 CB 0.999 31 residues pruned to eliminate duplicates Z: 34 21.208 1.870 0.341 0.685 0.970 0.788 CB 1.281 34 residues pruned to eliminate duplicates Z: 33 17.986 1.886 0.181 0.643 0.938 0.656 CB 1.332 33 residues pruned to eliminate duplicates Z: 15 7.924 1.850 0.103 0.478 0.786 0.643 CB 1.351 15 residues pruned to eliminate duplicates Z: 19 12.275 1.756 0.339 0.551 0.944 0.667 CB 1.240 19 residues pruned to eliminate duplicates Z: 23 17.799 1.965 0.241 0.695 0.955 0.682 CB 1.364 23 residues pruned to eliminate duplicates Z: 62 24.761 1.836 0.484 0.508 0.918 0.590 CB 1.258 62 residues pruned to eliminate duplicates Z: 30 20.089 1.890 0.481 0.614 0.966 0.759 CB 1.239 30 residues pruned to eliminate duplicates Z: 26 19.241 1.868 0.553 0.601 0.960 0.600 CB 1.255 26 residues pruned to eliminate duplicates Z: 66 24.104 1.863 0.515 0.551 0.877 0.646 CB 1.149 66 residues pruned to eliminate duplicates Z: 27 21.440 1.887 0.668 0.600 0.962 0.615 CB 1.263 27 residues pruned to eliminate duplicates Z: 46 21.973 1.895 0.468 0.617 0.889 0.556 CB 1.186 46 residues pruned to eliminate duplicates Z: 30 18.158 1.864 0.601 0.549 0.931 0.483 CB 1.157 30 residues pruned to eliminate duplicates Z: 39 20.180 1.852 0.454 0.596 0.947 0.632 CB 1.171 39 residues pruned to eliminate duplicates Z: 41 20.018 1.840 0.449 0.547 0.900 0.600 CB 1.259 41 residues pruned to eliminate duplicates Z: 23 16.862 1.862 0.524 0.638 0.955 0.727 CB 1.166 23 residues pruned to eliminate duplicates Z: 36 20.136 1.851 0.476 0.590 1.000 0.657 CB 1.143 36 residues pruned to eliminate duplicates Z: 45 22.572 1.888 0.392 0.637 1.000 0.727 CB 1.139 45 residues pruned to eliminate duplicates Z: 28 22.064 1.882 0.687 0.609 0.926 0.556 CB 1.302 28 residues pruned to eliminate duplicates Z: 17 15.613 1.972 0.500 0.543 0.938 0.500 CB 1.350 17 residues pruned to eliminate duplicates Z: 28 13.742 1.802 0.420 0.404 0.889 0.556 CB 1.287 28 residues pruned to eliminate duplicates Z: 22 18.062 1.935 0.526 0.640 0.905 0.619 CB 1.294 22 residues pruned to eliminate duplicates Z: 20 23.589 1.999 0.536 0.692 1.000 0.842 CB 1.478 20 residues pruned to eliminate duplicates Z: 19 13.917 1.944 0.355 0.553 0.889 0.611 CB 1.331 19 residues pruned to eliminate duplicates Z: 20 9.182 1.776 0.276 0.313 0.895 0.632 CB 1.278 20 residues pruned to eliminate duplicates Z: 37 13.876 1.767 0.568 0.408 0.833 0.472 CB 1.103 37 residues pruned to eliminate duplicates Z: 33 17.152 1.824 0.445 0.540 0.875 0.531 CB 1.264 33 residues pruned to eliminate duplicates Z: 27 11.430 1.798 0.223 0.459 0.885 0.654 CB 1.201 27 residues pruned to eliminate duplicates Z: 24 11.230 1.796 0.322 0.478 0.870 0.696 CB 1.159 24 residues pruned to eliminate duplicates Z: 10 4.904 1.676 0.191 0.464 0.889 0.667 CB 0.955 10 residues pruned to eliminate duplicates Z: 51 22.707 1.782 0.660 0.547 0.860 0.620 CB 1.206 51 residues pruned to eliminate duplicates Z: 15 6.470 1.703 0.552 0.365 0.786 0.500 CB 0.963 15 residues pruned to eliminate duplicates Z: 26 12.569 1.787 0.409 0.446 0.920 0.600 CB 1.147 26 residues pruned to eliminate duplicates Z: 22 7.586 1.714 0.254 0.333 0.762 0.524 CB 1.214 22 residues pruned to eliminate duplicates Z: 55 24.616 1.815 0.590 0.536 0.870 0.648 CB 1.288 55 residues pruned to eliminate duplicates Z: 34 18.548 1.824 0.506 0.573 0.848 0.697 CB 1.290 34 residues pruned to eliminate duplicates Z: 35 16.006 1.781 0.413 0.465 0.882 0.647 CB 1.281 35 residues pruned to eliminate duplicates Z: 28 17.317 1.856 0.471 0.476 0.926 0.556 CB 1.351 28 residues pruned to eliminate duplicates Z: 32 17.523 1.820 0.451 0.526 0.871 0.613 CB 1.334 32 residues pruned to eliminate duplicates Z: 43 23.545 1.891 0.503 0.527 0.929 0.667 CB 1.340 43 residues pruned to eliminate duplicates Z: 50 25.466 1.790 0.645 0.483 0.959 0.633 CB 1.310 50 residues pruned to eliminate duplicates Z: 37 17.679 1.796 0.441 0.487 0.861 0.639 CB 1.340 37 residues pruned to eliminate duplicates Z: 26 12.516 1.821 0.357 0.458 0.840 0.600 CB 1.259 26 residues pruned to eliminate duplicates Z: 23 15.531 1.845 0.538 0.459 0.955 0.545 CB 1.276 23 residues pruned to eliminate duplicates Z: 49 19.394 1.806 0.444 0.429 0.875 0.646 CB 1.321 49 residues pruned to eliminate duplicates Z: 24 18.807 1.903 0.548 0.520 1.000 0.652 CB 1.306 24 residues pruned to eliminate duplicates Z: 10 11.564 1.997 0.219 0.572 0.889 0.556 CB 1.663 10 residues pruned to eliminate duplicates Z: 29 15.034 1.852 0.339 0.415 0.929 0.643 CB 1.348 29 residues pruned to eliminate duplicates Z: 16 17.443 1.892 0.610 0.495 1.000 0.667 CB 1.486 16 residues pruned to eliminate duplicates Z: 34 17.918 1.827 0.395 0.499 0.939 0.515 CB 1.303 34 residues pruned to eliminate duplicates Z: 24 16.940 1.834 0.499 0.458 0.957 0.522 CB 1.401 24 residues pruned to eliminate duplicates Z: 34 21.504 1.840 0.547 0.551 0.970 0.606 CB 1.291 34 residues pruned to eliminate duplicates Z: 9 9.960 1.834 0.036 0.791 1.000 0.625 N 1.435 9 residues pruned to eliminate duplicates Z: 33 16.020 1.776 0.461 0.443 0.906 0.562 CB 1.277 33 residues pruned to eliminate duplicates Z: 9 8.086 1.787 0.436 0.835 0.750 0.375 N 1.113 9 residues pruned to eliminate duplicates Z: 9 7.512 1.735 0.445 0.655 0.875 0.625 N 1.049 9 residues pruned to eliminate duplicates Z: 10 8.807 1.784 0.586 0.673 0.667 0.444 N 1.327 10 residues pruned to eliminate duplicates Z: 16 12.706 1.770 0.557 0.779 0.800 0.533 CB 1.164 16 residues pruned to eliminate duplicates Z: 14 18.125 1.767 0.652 0.837 1.000 0.692 N 1.288 14 residues pruned to eliminate duplicates Z: 14 16.990 1.766 0.557 0.875 0.923 0.692 N 1.350 14 residues pruned to eliminate duplicates Z: 15 15.277 1.714 0.491 0.810 0.929 0.571 N 1.314 15 residues pruned to eliminate duplicates Z: 15 13.414 1.747 0.465 0.801 0.857 0.500 N 1.256 15 residues pruned to eliminate duplicates Z: 7 6.827 1.578 0.582 0.727 0.833 0.500 N 1.092 7 residues pruned to eliminate duplicates Z: 6 5.853 1.628 0.351 0.613 1.000 0.600 N 1.070 6 residues pruned to eliminate duplicates Z: 16 13.117 1.688 0.404 0.846 0.933 0.467 CB 1.137 16 residues pruned to eliminate duplicates Z: 7 6.871 1.574 0.596 0.567 0.833 0.500 CB 1.255 7 residues pruned to eliminate duplicates Z: 12 10.500 1.839 0.313 0.713 0.909 0.727 CB 1.189 12 residues pruned to eliminate duplicates Z: 11 7.535 1.705 0.848 0.678 0.800 0.500 CB 0.803 11 residues pruned to eliminate duplicates Z: 12 9.116 1.814 0.620 0.557 0.818 0.364 CB 1.081 12 residues pruned to eliminate duplicates Z: 16 10.811 1.788 0.774 0.580 0.733 0.400 CB 1.111 16 residues pruned to eliminate duplicates Z: 9 14.848 1.962 0.634 0.865 1.000 0.625 CB 1.200 9 residues pruned to eliminate duplicates Z: 14 15.206 1.792 0.655 0.696 0.923 0.692 CB 1.288 14 residues pruned to eliminate duplicates Z: 13 12.546 1.793 0.744 0.685 0.917 0.500 CB 1.066 13 residues pruned to eliminate duplicates Z: 17 15.043 1.696 0.847 0.701 0.875 0.500 CB 1.143 17 residues pruned to eliminate duplicates Z: 13 18.659 1.873 0.800 0.863 1.000 0.667 CB 1.172 14 residues pruned to eliminate duplicates Z: 12 15.395 1.873 0.790 0.888 0.909 0.727 CB 1.097 12 residues pruned to eliminate duplicates Z: 14 17.297 1.858 0.907 0.875 1.000 0.615 CB 0.984 14 residues pruned to eliminate duplicates Z: 7 8.321 1.695 0.319 0.727 1.000 0.500 CB 1.238 7 residues pruned to eliminate duplicates Z: 12 6.634 1.725 0.197 0.476 0.909 0.455 CB 1.091 12 residues pruned to eliminate duplicates Z: 11 5.366 1.755 0.177 0.380 0.800 0.400 CB 1.166 11 residues pruned to eliminate duplicates Z: 9 3.562 1.542 0.035 0.454 1.000 0.375 CB 0.827 9 residues pruned to eliminate duplicates Z: 15 8.995 1.718 0.188 0.619 0.929 0.571 CB 1.134 15 residues pruned to eliminate duplicates Z: 27 17.642 1.751 0.446 0.692 0.923 0.615 CB 1.241 35 residues pruned to eliminate duplicates Z: 12 10.804 1.674 0.329 0.622 1.000 0.727 CA 1.305 11 residues pruned to eliminate duplicates Z: 6 4.149 1.520 0.904 0.420 1.000 0.400 CA 0.697 6 residues pruned to eliminate duplicates Z: 13 10.484 1.759 0.379 0.624 0.917 0.500 CB 1.211 13 residues pruned to eliminate duplicates Z: 19 16.249 1.827 0.410 0.703 0.944 0.667 CB 1.309 19 residues pruned to eliminate duplicates Z: 18 16.962 1.821 0.423 0.758 1.000 0.941 CB 1.262 18 residues pruned to eliminate duplicates Z: 21 14.432 1.742 0.381 0.681 0.950 0.800 CB 1.195 21 residues pruned to eliminate duplicates Z: 26 17.483 1.802 0.367 0.746 0.960 0.760 CB 1.188 26 residues pruned to eliminate duplicates Z: 30 19.897 1.864 0.366 0.617 0.966 0.828 CB 1.345 30 residues pruned to eliminate duplicates Z: 18 19.290 1.758 0.564 0.894 0.941 0.941 CB 1.298 18 residues pruned to eliminate duplicates Z: 13 10.455 1.824 0.357 0.775 0.833 0.833 CB 1.148 13 residues pruned to eliminate duplicates Z: 14 17.615 1.848 0.491 0.850 1.000 0.769 CB 1.313 14 residues pruned to eliminate duplicates Z: 24 23.433 1.890 0.621 0.704 0.957 0.783 CB 1.385 24 residues pruned to eliminate duplicates Z: 27 22.236 1.872 0.479 0.673 0.962 0.692 CB 1.396 27 residues pruned to eliminate duplicates Z: 20 18.793 1.775 0.610 0.793 0.947 0.842 CB 1.232 20 residues pruned to eliminate duplicates Z: 21 13.198 1.703 0.580 0.615 0.900 0.600 CB 1.094 21 residues pruned to eliminate duplicates Z: 26 24.496 1.845 0.696 0.685 0.960 0.680 CB 1.376 25 residues pruned to eliminate duplicates Z: 17 20.665 1.760 0.742 0.850 1.000 0.750 CB 1.248 17 residues pruned to eliminate duplicates Z: 30 23.431 1.883 0.650 0.605 0.897 0.690 CB 1.414 30 residues pruned to eliminate duplicates Z: 25 24.370 1.899 0.649 0.717 0.917 0.792 CB 1.424 25 residues pruned to eliminate duplicates Z: 27 25.017 1.844 0.633 0.681 1.000 0.731 CB 1.379 28 residues pruned to eliminate duplicates Z: 18 20.496 1.791 0.706 0.811 0.941 0.824 CB 1.319 18 residues pruned to eliminate duplicates Z: 30 23.039 1.885 0.568 0.581 0.931 0.724 CB 1.438 30 residues pruned to eliminate duplicates Z: 20 22.201 1.798 0.722 0.747 1.000 0.789 CB 1.319 20 residues pruned to eliminate duplicates Z: 26 21.026 1.830 0.658 0.697 0.880 0.760 CB 1.316 26 residues pruned to eliminate duplicates Z: 27 23.776 1.833 0.775 0.627 0.962 0.769 CB 1.323 28 residues pruned to eliminate duplicates 468 residues left after pruning, divided into chains as follows: A: 7 B: 11 C: 7 D: 8 E: 21 F: 22 G: 10 H: 45 I: 25 J: 24 K: 26 L: 15 M: 17 N: 43 O: 18 P: 118 Q: 13 R: 38 CC for partial structure against native data = 34.78 % ------------------------------------------------------------------------------ Global autotracing cycle 6 Phases from autotracing cycle 5 used as input for final density modification = 0.300, Contrast = 0.507, Connect. = 0.733 for dens.mod. cycle 1 = 0.300, Contrast = 0.588, Connect. = 0.757 for dens.mod. cycle 2 = 0.300, Contrast = 0.693, Connect. = 0.782 for dens.mod. cycle 3 = 0.300, Contrast = 0.706, Connect. = 0.784 for dens.mod. cycle 4 = 0.300, Contrast = 0.716, Connect. = 0.785 for dens.mod. cycle 5 = 0.300, Contrast = 0.718, Connect. = 0.786 for dens.mod. cycle 6 = 0.300, Contrast = 0.722, Connect. = 0.788 for dens.mod. cycle 7 = 0.300, Contrast = 0.722, Connect. = 0.789 for dens.mod. cycle 8 = 0.300, Contrast = 0.723, Connect. = 0.790 for dens.mod. cycle 9 = 0.300, Contrast = 0.722, Connect. = 0.790 for dens.mod. cycle 10 TimeTaking 109.8