++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 14:35:16 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: ./2g0t-2.7-parrot-hancs/2g0t-2.7-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2g0t-2.7-parrot-hancs/2g0t-2.7-parrot-hancs.ins Phases from ./2g0t-2.7-parrot-hancs/2g0t-2.7-parrot-hancs.phi Native data from ./2g0t-2.7-parrot-hancs/2g0t-2.7-parrot-hancs.hkl Listing output to ./2g0t-2.7-parrot-hancs/2g0t-2.7-parrot-hancs.lst Phases output to ./2g0t-2.7-parrot-hancs/2g0t-2.7-parrot-hancs.phs Poly-Ala trace output to ./2g0t-2.7-parrot-hancs/2g0t-2.7-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 3 2 Allowed origin shift code: 14 34510 Reflections read from file ./2g0t-2.7-parrot-hancs/2g0t-2.7-parrot-hancs.phi 34510 Reflections read from file ./2g0t-2.7-parrot-hancs/2g0t-2.7-parrot-hancs.hkl 34510 Unique data, highest resolution = 2.670 Angstroms Anisotropic scaling: intensities multiplied by 0.000000h^2 +0.000000k^2 +0.000000l^2 +0.000000kl +0.000000hl +0.000000hk 43 Reflections with d > 2.870 and 0 in range 2.870 > d > 2.670 added Density sharpening factor set to 0.00 Fourier grid = 256 x 256 x 33 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|> = 0.723 = 0.300, Contrast = 0.525, Connect. = 0.711 for dens.mod. cycle 1 = 0.300, Contrast = 0.455, Connect. = 0.640 for dens.mod. cycle 2 = 0.300, Contrast = 0.581, Connect. = 0.686 for dens.mod. cycle 3 = 0.300, Contrast = 0.654, Connect. = 0.706 for dens.mod. cycle 4 = 0.300, Contrast = 0.701, Connect. = 0.718 for dens.mod. cycle 5 = 0.300, Contrast = 0.732, Connect. = 0.727 for dens.mod. cycle 6 = 0.300, Contrast = 0.753, Connect. = 0.733 for dens.mod. cycle 7 = 0.300, Contrast = 0.769, Connect. = 0.738 for dens.mod. cycle 8 = 0.300, Contrast = 0.780, Connect. = 0.741 for dens.mod. cycle 9 = 0.300, Contrast = 0.788, Connect. = 0.743 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2884 peaks > 0.5 sigma used to seed fragment search Space for about 1287 unique residues taking solvent into account 594 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 6 3.199 1.579 0.705 0.481 0.600 0.400 CB 0.902 B: 16 13.620 1.794 0.576 0.485 0.867 0.533 CB 1.457 C: 7 8.706 1.637 0.617 0.835 1.000 0.667 CB 1.006 D: 9 3.875 1.675 0.253 0.734 0.625 0.375 CB 0.846 E: 7 4.019 1.694 0.040 0.503 0.833 0.500 CB 1.115 F: 8 3.948 1.527 0.535 0.486 0.857 0.429 CB 0.753 G: 16 13.136 1.565 0.582 0.862 0.933 0.667 CB 1.077 H: 9 6.214 1.734 0.128 0.474 1.000 0.500 CB 1.153 I: 11 7.136 1.726 0.394 0.429 0.900 0.500 CB 1.122 J: 14 8.540 1.729 0.538 0.330 0.846 0.538 N 1.267 K: 9 6.657 1.672 0.374 0.530 0.750 0.375 CB 1.327 L: 9 3.924 1.742 0.279 0.324 0.625 0.375 O 1.209 M: 12 9.613 1.699 0.426 0.781 0.818 0.545 O 1.142 N: 12 5.338 1.516 0.358 0.249 0.909 0.364 N 1.148 O: 7 6.911 1.409 0.822 0.618 0.833 0.500 N 1.179 P: 15 19.320 1.690 1.140 0.816 0.929 0.786 O 1.168 6 0.948 1.526 0.377 0.318 0.600 0.600 N 0.411 ? Q: 11 5.845 1.552 0.375 0.322 0.800 0.500 O 1.317 11 residues pruned to eliminate duplicates R: 6 3.285 1.608 0.292 0.395 0.800 0.600 N 0.988 S: 14 16.726 1.712 0.731 0.836 0.923 0.692 O 1.268 9 residues pruned to eliminate duplicates T: 14 5.894 1.656 0.278 0.477 0.769 0.385 CB 1.027 U: 8 7.953 1.585 0.522 0.437 1.000 0.714 CA 1.330 V: 23 13.611 1.754 0.507 0.426 0.864 0.455 O 1.374 23 residues pruned to eliminate duplicates W: 9 4.261 1.708 0.374 0.403 0.750 0.625 CB 0.947 7 residues pruned to eliminate duplicates X: 6 8.256 1.891 0.384 0.571 0.800 0.600 CB 1.646 7 residues pruned to eliminate duplicates Y: 13 10.498 1.580 0.557 0.787 0.917 0.583 O 1.044 12 residues pruned to eliminate duplicates Z: 14 22.438 1.777 0.969 0.889 0.923 0.846 CB 1.387 Z: 6 6.806 1.746 0.746 0.640 0.800 0.800 N 1.096 Z: 20 24.819 1.642 0.856 0.869 1.000 0.737 N 1.365 16 residues pruned to eliminate duplicates Z: 12 6.599 1.633 0.694 0.469 0.818 0.636 CB 0.907 Z: 13 17.705 1.636 1.196 0.861 1.000 0.917 CB 1.045 14 residues pruned to eliminate duplicates Z: 7 6.731 1.618 1.157 0.830 0.833 0.667 CB 0.710 Z: 15 13.217 1.581 0.939 0.856 0.929 0.714 CB 0.915 12 residues pruned to eliminate duplicates Z: 10 9.739 1.547 0.901 0.828 0.778 0.444 CB 1.069 8 residues pruned to eliminate duplicates Z: 13 11.188 1.649 0.853 0.746 0.750 0.583 CB 1.131 8 residues pruned to eliminate duplicates Z: 8 3.498 1.430 0.716 0.343 0.714 0.571 CB 0.895 Z: 9 11.447 1.725 0.730 0.630 0.875 0.500 CB 1.372 Z: 7 2.104 1.314 0.102 0.364 0.833 0.333 N 0.824 Z: 11 3.408 1.543 0.567 0.228 0.600 0.200 CB 1.020 Z: 12 11.273 1.683 0.868 0.835 0.909 0.727 CB 0.891 12 residues pruned to eliminate duplicates Z: 9 5.952 1.499 0.915 0.573 0.875 0.625 CB 0.781 8 residues pruned to eliminate duplicates Z: 14 12.144 1.520 0.709 0.886 1.000 0.769 CB 0.935 7 residues pruned to eliminate duplicates 6 1.663 1.273 0.289 0.386 0.600 0.600 CB 0.852 ? Z: 16 11.518 1.666 0.428 0.826 0.867 0.600 CB 1.088 16 residues pruned to eliminate duplicates Z: 16 8.411 1.602 0.548 0.462 0.867 0.467 CB 1.051 16 residues pruned to eliminate duplicates Z: 9 9.783 1.546 1.044 0.837 0.875 0.875 CB 0.936 7 residues pruned to eliminate duplicates Z: 7 4.617 1.737 0.102 0.500 1.000 0.667 CB 0.985 Z: 9 9.678 1.643 0.540 0.838 0.875 0.750 CB 1.154 Z: 20 9.444 1.507 0.825 0.501 0.684 0.368 CB 1.151 8 residues pruned to eliminate duplicates Z: 7 4.929 1.707 0.796 0.475 0.667 0.333 CB 1.009 Z: 6 2.951 1.474 0.577 0.484 0.800 0.400 CB 0.721 Z: 8 5.260 1.530 0.383 0.350 1.000 0.571 CB 1.105 Z: 12 16.306 1.764 0.679 0.847 1.000 0.636 CB 1.232 14 residues pruned to eliminate duplicates Z: 13 5.063 1.575 0.689 0.271 0.667 0.417 N 1.068 Z: 9 7.972 1.654 0.691 0.484 0.875 0.500 CB 1.170 7 residues pruned to eliminate duplicates Z: 12 5.328 1.485 0.690 0.255 0.727 0.273 N 1.165 Z: 13 9.006 1.623 0.335 0.459 0.917 0.667 CB 1.365 9 residues pruned to eliminate duplicates Z: 14 6.713 1.501 0.849 0.412 0.692 0.462 CB 1.062 Z: 16 15.067 1.716 0.843 0.720 0.867 0.400 O 1.164 16 residues pruned to eliminate duplicates Z: 8 3.962 1.605 0.456 0.293 0.857 0.286 N 0.943 3 residues pruned to eliminate duplicates Z: 16 22.999 1.767 0.780 0.893 1.000 0.733 CB 1.355 16 residues pruned to eliminate duplicates Z: 11 14.270 1.746 0.684 0.847 1.000 0.900 CB 1.140 11 residues pruned to eliminate duplicates Z: 10 5.786 1.535 0.182 0.491 1.000 0.444 CB 1.072 7 1.640 1.575 1.109 0.732 0.833 0.667 CB 0.196 ? Z: 9 4.995 1.670 0.003 0.405 0.875 0.375 N 1.332 7 residues pruned to eliminate duplicates Z: 9 15.233 1.718 0.765 0.896 1.000 0.625 O 1.272 9 residues pruned to eliminate duplicates Z: 7 4.188 1.617 0.378 0.636 0.667 0.500 CB 1.013 7 residues pruned to eliminate duplicates Z: 8 10.874 1.748 0.671 0.814 1.000 0.714 CB 1.071 9 residues pruned to eliminate duplicates Z: 6 6.615 1.690 0.245 0.484 1.000 1.000 N 1.429 Z: 16 16.809 1.561 0.803 0.875 0.933 0.467 N 1.202 16 residues pruned to eliminate duplicates 6 1.694 1.406 0.319 0.573 0.800 0.600 CB 0.476 ? Z: 14 7.492 1.492 0.683 0.843 0.846 0.538 CB 0.728 14 residues pruned to eliminate duplicates Z: 6 2.623 1.511 0.663 0.264 0.800 0.200 O 0.764 Z: 6 6.105 1.674 0.877 0.459 0.800 0.600 CB 1.132 6 residues pruned to eliminate duplicates Z: 15 13.919 1.604 0.595 0.901 1.000 0.929 CB 1.038 Z: 17 29.165 1.782 1.004 0.900 1.000 0.625 CB 1.458 18 residues pruned to eliminate duplicates Z: 9 8.033 1.536 0.539 0.695 0.875 0.375 CB 1.149 9 residues pruned to eliminate duplicates Z: 14 10.454 1.466 0.871 0.853 0.923 0.615 CB 0.846 15 residues pruned to eliminate duplicates Z: 14 15.471 1.710 0.977 0.849 0.846 0.462 CB 1.111 14 residues pruned to eliminate duplicates Z: 7 7.955 1.497 0.657 0.854 1.000 0.667 N 0.967 Z: 6 4.317 1.515 0.253 0.814 0.800 0.800 CB 0.967 6 residues pruned to eliminate duplicates 6 1.090 1.332 0.509 0.100 0.400 0.200 CB 1.010 ? Z: 11 11.317 1.674 0.494 0.859 0.900 0.900 CB 1.169 11 residues pruned to eliminate duplicates Z: 8 3.412 1.336 0.701 0.415 0.714 0.286 N 0.868 Z: 7 4.054 1.599 0.180 0.422 0.833 0.333 CB 1.141 Z: 9 8.599 1.783 0.407 0.546 0.875 0.750 CB 1.324 5 residues pruned to eliminate duplicates Z: 13 17.652 1.586 1.006 0.869 0.917 0.833 N 1.277 Z: 11 6.018 1.620 0.389 0.461 0.800 0.600 CB 1.100 Z: 18 19.704 1.680 0.816 0.820 0.882 0.529 CB 1.345 18 residues pruned to eliminate duplicates Z: 15 24.844 1.785 0.830 0.892 1.000 0.714 CB 1.461 15 residues pruned to eliminate duplicates Z: 14 21.584 1.739 0.903 0.868 1.000 0.769 CB 1.322 15 residues pruned to eliminate duplicates Z: 8 8.154 1.490 0.648 0.826 1.000 0.714 CB 0.946 Z: 13 19.140 1.776 0.663 0.882 1.000 0.917 O 1.354 13 residues pruned to eliminate duplicates Z: 6 7.049 1.602 0.549 0.663 1.000 0.600 O 1.092 Z: 8 6.399 1.733 0.564 0.421 0.857 0.429 CB 1.130 Z: 6 4.178 1.751 0.388 0.349 1.000 0.400 CB 0.906 Z: 10 8.099 1.659 0.609 0.393 0.889 0.556 CB 1.274 9 residues pruned to eliminate duplicates Z: 8 6.443 1.447 1.016 0.741 0.714 0.571 CB 0.942 7 residues pruned to eliminate duplicates Z: 8 7.063 1.480 0.403 0.740 0.857 0.714 O 1.210 8 residues pruned to eliminate duplicates Z: 7 3.265 1.567 0.576 0.354 0.833 0.667 CB 0.758 Z: 16 9.114 1.701 0.673 0.383 0.733 0.400 CB 1.277 16 residues pruned to eliminate duplicates Z: 8 6.146 1.478 0.468 0.765 1.000 0.714 CB 0.847 Z: 8 2.684 1.224 0.320 0.882 0.857 0.571 N 0.530 7 residues pruned to eliminate duplicates Z: 14 4.956 1.579 0.311 0.283 0.923 0.462 CB 0.919 Z: 8 10.736 1.576 0.565 0.827 1.000 0.714 N 1.240 8 residues pruned to eliminate duplicates Z: 6 2.743 1.410 0.520 0.453 0.800 0.600 CB 0.750 Z: 17 12.543 1.522 0.605 0.830 1.000 0.625 CB 0.965 Z: 19 9.424 1.577 0.466 0.508 0.833 0.278 N 1.144 Z: 7 3.218 1.453 0.248 0.545 0.667 0.667 C 1.040 Z: 16 12.736 1.626 0.607 0.805 0.933 0.733 CB 1.034 15 residues pruned to eliminate duplicates Z: 7 3.380 1.287 0.536 0.352 1.000 0.500 CB 0.819 Z: 11 6.395 1.591 0.625 0.718 1.000 0.600 CB 0.642 11 residues pruned to eliminate duplicates Z: 7 5.141 1.597 0.146 0.821 0.833 0.500 CB 1.042 7 residues pruned to eliminate duplicates Z: 18 11.770 1.511 0.957 0.658 0.824 0.647 CB 1.012 9 residues pruned to eliminate duplicates Z: 8 5.889 1.745 0.197 0.328 0.857 0.286 O 1.503 Z: 7 2.690 1.362 0.509 0.365 0.833 0.500 N 0.741 Z: 14 13.673 1.596 0.805 0.802 1.000 0.692 O 1.011 14 residues pruned to eliminate duplicates Z: 10 10.188 1.715 0.667 0.832 0.889 0.889 CB 1.003 11 residues pruned to eliminate duplicates 10 1.876 1.523 0.285 0.184 0.556 0.333 CB 0.841 ? Z: 6 3.046 1.397 0.227 0.401 0.800 0.400 N 1.103 Z: 6 2.843 1.640 0.386 0.464 0.800 0.800 CB 0.726 Z: 16 17.981 1.624 1.087 0.853 0.867 0.667 CB 1.168 15 residues pruned to eliminate duplicates Z: 6 3.641 1.426 0.642 0.114 1.000 0.200 CA 1.134 Z: 14 13.004 1.725 0.859 0.507 0.846 0.615 N 1.320 14 residues pruned to eliminate duplicates Z: 8 3.707 1.545 0.397 0.778 0.857 0.429 CB 0.593 8 residues pruned to eliminate duplicates Z: 18 16.994 1.529 0.768 0.861 0.941 0.588 CB 1.190 18 residues pruned to eliminate duplicates Z: 6 7.429 1.615 0.655 0.439 1.000 0.400 CB 1.323 8 residues pruned to eliminate duplicates Z: 14 9.856 1.486 0.806 0.804 0.923 0.769 CB 0.847 13 residues pruned to eliminate duplicates Z: 10 12.840 1.694 0.724 0.864 1.000 0.889 O 1.074 10 residues pruned to eliminate duplicates Z: 6 4.780 1.481 0.450 0.602 0.800 0.600 C 1.129 Z: 13 12.182 1.605 0.678 0.866 0.833 0.417 N 1.147 13 residues pruned to eliminate duplicates Z: 7 5.107 1.508 0.657 0.607 0.833 0.500 O 0.904 Z: 18 5.656 1.522 0.376 0.205 0.765 0.353 O 1.216 Z: 9 3.232 1.558 0.131 0.414 0.875 0.500 CB 0.811 9 residues pruned to eliminate duplicates Z: 6 5.446 1.552 0.835 0.425 0.800 0.600 CB 1.156 Z: 9 3.567 1.444 0.334 0.279 0.875 0.750 CB 0.960 Z: 8 5.725 1.659 0.442 0.718 1.000 0.714 CB 0.743 Z: 11 7.234 1.497 0.548 0.860 1.000 0.800 CB 0.726 11 residues pruned to eliminate duplicates 6 1.741 1.341 0.403 0.288 0.600 0.400 CB 0.876 ? Z: 11 7.513 1.710 0.525 0.322 0.900 0.500 CB 1.231 7 residues pruned to eliminate duplicates Z: 15 8.963 1.586 0.447 0.354 0.929 0.571 N 1.317 Z: 13 12.911 1.493 0.874 0.755 0.917 0.667 CB 1.158 13 residues pruned to eliminate duplicates Z: 7 5.197 1.605 0.352 0.525 0.833 0.500 N 1.144 8 residues pruned to eliminate duplicates Z: 17 11.831 1.688 0.634 0.823 0.750 0.500 CB 1.081 17 residues pruned to eliminate duplicates Z: 13 7.124 1.461 0.515 0.398 0.833 0.250 N 1.241 8 residues pruned to eliminate duplicates Z: 11 4.048 1.553 0.315 0.521 0.900 0.600 CB 0.682 11 residues pruned to eliminate duplicates Z: 16 20.420 1.745 0.717 0.902 1.000 0.267 N 1.255 18 residues pruned to eliminate duplicates Z: 10 16.014 1.610 0.793 0.878 1.000 1.000 CB 1.343 9 residues pruned to eliminate duplicates Z: 9 10.891 1.732 0.443 0.904 1.000 0.875 CB 1.098 8 residues pruned to eliminate duplicates Z: 6 2.522 1.549 0.311 0.288 0.800 0.600 CB 0.881 Z: 15 3.624 1.333 0.460 0.218 0.714 0.286 CB 0.970 Z: 7 4.032 1.458 0.482 0.339 0.833 0.500 C 1.089 12 residues pruned to eliminate duplicates Z: 7 2.876 1.628 0.207 0.317 0.667 0.333 N 1.097 Z: 6 8.559 1.601 0.594 0.708 1.000 0.800 O 1.242 6 residues pruned to eliminate duplicates Z: 6 3.156 1.630 0.079 0.475 0.800 0.600 CB 1.028 Z: 6 3.529 1.513 0.421 0.436 0.800 0.600 CB 0.980 6 0.854 1.092 0.678 0.297 0.800 0.600 CB 0.327 ? Z: 10 6.209 1.438 0.257 0.844 0.889 0.333 CB 0.959 Z: 11 3.124 1.458 0.219 0.267 0.700 0.500 N 1.035 6 residues pruned to eliminate duplicates 6 1.560 1.551 0.301 0.357 0.600 0.400 CB 0.672 ? Z: 6 5.325 1.476 1.151 0.763 0.800 0.600 N 0.743 6 residues pruned to eliminate duplicates 6 1.558 1.421 0.561 0.300 0.600 0.400 N 0.655 ? Z: 16 12.168 1.506 0.605 0.761 0.933 0.400 CB 1.104 16 residues pruned to eliminate duplicates 6 0.947 1.335 0.055 0.292 0.400 0.400 N 0.949 ? Z: 7 4.521 1.263 0.905 0.540 0.833 0.667 CB 0.885 Z: 7 3.146 1.364 0.310 0.580 0.833 0.667 N 0.799 Z: 9 6.346 1.407 0.867 0.530 0.750 0.250 CB 1.106 6 1.898 1.463 0.252 0.207 0.600 0.400 CB 1.092 ? Z: 13 7.819 1.759 0.539 0.266 0.917 0.667 CB 1.188 Z: 11 9.091 1.503 0.486 0.897 0.800 0.500 N 1.151 10 residues pruned to eliminate duplicates Z: 7 3.256 1.535 0.399 0.742 0.833 0.833 CB 0.598 7 residues pruned to eliminate duplicates 6 1.519 1.559 -0.112 0.216 0.600 0.400 O 1.142 ? Z: 6 2.596 1.538 0.408 0.276 0.800 0.200 CB 0.863 Z: 8 4.127 1.409 0.417 0.575 1.000 0.429 CB 0.727 Z: 7 5.266 1.459 0.558 0.588 0.833 0.667 CB 1.043 4 residues pruned to eliminate duplicates Z: 16 9.796 1.587 0.953 0.720 0.733 0.467 CB 0.912 16 residues pruned to eliminate duplicates Z: 6 2.560 1.602 0.101 0.763 1.000 0.600 CB 0.514 Z: 6 3.244 1.464 0.530 0.458 1.000 0.600 N 0.677 Z: 9 2.979 1.598 -0.002 0.140 0.875 0.375 CB 1.179 Z: 8 2.356 1.450 0.334 0.246 0.857 0.714 CB 0.721 8 residues pruned to eliminate duplicates Z: 16 4.886 1.430 0.338 0.340 0.733 0.400 CB 1.070 Z: 6 6.389 1.657 0.585 0.413 0.800 0.400 CB 1.491 7 1.911 1.614 0.739 0.306 0.667 0.667 CB 0.518 ? Z: 11 7.445 1.616 0.601 0.409 0.800 0.600 CB 1.251 Z: 10 13.685 1.581 0.888 0.857 1.000 0.889 O 1.126 11 residues pruned to eliminate duplicates Z: 7 2.766 1.280 0.439 0.403 1.000 0.667 N 0.679 6 1.306 1.516 0.592 0.863 1.000 0.600 CB 0.178 ? Z: 7 7.629 1.635 0.847 0.744 0.667 0.667 O 1.244 9 residues pruned to eliminate duplicates Z: 8 5.688 1.621 0.511 0.451 1.000 0.429 N 0.922 8 residues pruned to eliminate duplicates Z: 6 6.170 1.565 0.621 0.508 0.800 0.400 CB 1.349 Z: 7 6.448 1.776 0.387 0.696 0.833 0.833 CB 1.072 7 residues pruned to eliminate duplicates Z: 10 17.805 1.765 0.760 0.836 1.000 0.333 O 1.431 9 residues pruned to eliminate duplicates Z: 6 2.453 1.538 0.381 0.374 0.600 0.600 CB 0.985 Z: 11 13.220 1.718 0.814 0.769 0.800 0.600 CB 1.322 11 residues pruned to eliminate duplicates Z: 9 3.218 1.296 0.737 0.416 0.500 0.375 CB 1.104 Z: 6 4.352 1.424 0.325 0.584 1.000 0.600 CB 0.951 Z: 12 7.538 1.582 0.289 0.542 0.909 0.455 N 1.176 6 residues pruned to eliminate duplicates 8 1.461 1.269 0.383 0.071 0.571 0.429 C 0.964 ? Z: 6 3.312 1.504 0.343 0.468 0.800 0.600 CB 0.946 Z: 13 7.954 1.597 0.480 0.437 0.833 0.583 CB 1.244 Z: 8 6.125 1.339 0.511 0.754 0.857 0.429 CB 1.065 8 residues pruned to eliminate duplicates Z: 8 3.896 1.388 0.582 0.249 0.857 0.571 N 1.044 Z: 8 3.602 1.746 -0.168 0.451 0.857 0.429 CB 1.150 7 residues pruned to eliminate duplicates Z: 9 2.256 1.349 0.151 0.250 0.750 0.375 CB 0.913 Z: 12 5.243 1.401 0.569 0.364 0.818 0.545 CB 1.017 Z: 8 4.130 1.612 1.031 0.487 0.571 0.286 CB 0.845 Z: 6 4.438 1.543 0.204 0.496 0.800 0.600 N 1.342 6 0.955 1.382 0.073 0.339 0.800 0.400 CB 0.430 ? 6 1.522 1.320 0.276 0.451 0.800 0.400 CB 0.531 ? Z: 11 9.192 1.562 0.343 0.845 1.000 0.800 CB 1.030 11 residues pruned to eliminate duplicates Z: 7 2.788 1.419 0.182 0.301 0.833 0.500 O 1.016 Z: 12 7.798 1.809 0.341 0.358 0.909 0.727 CB 1.243 12 residues pruned to eliminate duplicates Z: 9 4.968 1.320 0.701 0.264 1.000 0.625 N 1.025 7 residues pruned to eliminate duplicates Z: 7 4.321 1.505 0.107 0.402 1.000 0.833 CB 1.174 6 0.819 1.114 0.462 0.292 0.800 0.600 O 0.355 ? Z: 8 2.832 1.515 0.242 0.330 0.714 0.429 O 0.959 Z: 7 9.414 1.601 0.664 0.753 1.000 0.833 O 1.151 8 residues pruned to eliminate duplicates 432 residues left after pruning, divided into chains as follows: A: 7 B: 7 C: 7 D: 6 E: 9 F: 8 G: 7 H: 13 I: 11 J: 17 K: 8 L: 6 M: 6 N: 18 O: 18 P: 15 Q: 20 R: 8 S: 9 T: 7 U: 17 V: 10 W: 6 X: 8 Y: 10 Z: 21 Z: 6 Z: 11 Z: 9 Z: 17 Z: 11 Z: 33 Z: 6 Z: 10 Z: 24 Z: 26 CC for partial structure against native data = 25.52 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.543, Connect. = 0.651 for dens.mod. cycle 1 = 0.300, Contrast = 0.660, Connect. = 0.691 for dens.mod. cycle 2 = 0.300, Contrast = 0.779, Connect. = 0.729 for dens.mod. cycle 3 = 0.300, Contrast = 0.805, Connect. = 0.734 for dens.mod. cycle 4 = 0.300, Contrast = 0.826, Connect. = 0.738 for dens.mod. cycle 5 = 0.300, Contrast = 0.833, Connect. = 0.742 for dens.mod. cycle 6 = 0.300, Contrast = 0.842, Connect. = 0.744 for dens.mod. cycle 7 = 0.300, Contrast = 0.844, Connect. = 0.747 for dens.mod. cycle 8 = 0.300, Contrast = 0.847, Connect. = 0.748 for dens.mod. cycle 9 = 0.300, Contrast = 0.847, Connect. = 0.750 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2853 peaks > 0.5 sigma used to seed fragment search Space for about 1287 unique residues taking solvent into account 570 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 20.824 2.002 0.629 0.810 1.000 0.786 CB 1.302 B: 16 12.752 1.853 0.107 0.843 1.000 0.800 CB 1.195 16 residues pruned to eliminate duplicates C: 13 17.499 1.974 0.687 0.914 1.000 0.917 CB 1.073 D: 6 7.287 2.179 0.010 0.789 1.000 0.600 CB 1.149 E: 9 5.134 1.439 0.518 0.518 0.875 0.500 CB 0.933 F: 12 12.489 1.809 0.711 0.788 0.909 0.455 CB 1.039 G: 18 8.776 1.872 0.319 0.397 0.882 0.529 CB 1.089 H: 14 21.630 1.931 0.730 0.807 1.000 0.692 CB 1.374 I: 12 21.462 2.051 0.777 0.877 1.000 0.909 CB 1.289 13 residues pruned to eliminate duplicates J: 16 20.272 1.942 0.178 0.906 1.000 0.867 CB 1.628 K: 11 7.442 1.786 0.495 0.437 0.700 0.600 CB 1.344 L: 13 7.910 1.979 0.506 0.249 0.750 0.500 CB 1.364 M: 13 23.163 1.900 0.944 0.839 0.917 0.667 CB 1.475 14 residues pruned to eliminate duplicates N: 15 29.963 2.121 0.766 0.899 0.929 0.857 CB 1.646 16 residues pruned to eliminate duplicates O: 7 13.167 1.998 0.905 0.557 0.833 0.667 CB 1.604 P: 16 30.022 2.027 0.572 0.916 1.000 0.933 CB 1.718 15 residues pruned to eliminate duplicates Q: 18 9.305 1.663 0.625 0.338 0.706 0.647 CB 1.411 11 residues pruned to eliminate duplicates R: 10 14.929 1.807 0.726 0.795 1.000 0.667 CB 1.232 9 residues pruned to eliminate duplicates S: 19 12.690 1.934 0.447 0.461 0.889 0.500 CB 1.251 18 residues pruned to eliminate duplicates T: 13 14.679 1.887 0.935 0.800 0.833 0.667 CB 1.071 U: 11 7.484 1.778 0.486 0.403 0.900 0.900 CB 1.102 V: 15 27.868 1.886 0.908 0.906 1.000 0.857 CB 1.472 W: 12 6.097 1.954 -0.024 0.268 0.818 0.364 CB 1.534 12 residues pruned to eliminate duplicates X: 15 27.024 2.084 0.758 0.899 0.929 0.643 CB 1.518 15 residues pruned to eliminate duplicates Y: 14 14.730 1.760 0.630 0.840 0.923 0.692 CB 1.151 14 residues pruned to eliminate duplicates Z: 14 10.658 1.888 0.503 0.511 0.923 0.615 CB 1.116 14 residues pruned to eliminate duplicates Z: 17 19.984 1.667 0.899 0.839 0.938 0.562 CB 1.257 17 residues pruned to eliminate duplicates Z: 12 22.064 2.023 0.667 0.899 1.000 0.909 CB 1.409 13 residues pruned to eliminate duplicates Z: 30 21.212 1.944 0.523 0.501 0.897 0.552 CB 1.481 17 residues pruned to eliminate duplicates Z: 14 23.122 1.887 0.568 0.822 1.000 0.846 N 1.639 14 residues pruned to eliminate duplicates Z: 18 9.846 1.743 0.454 0.859 0.941 0.824 CB 0.737 Z: 17 17.352 1.923 0.600 0.769 0.938 0.625 CB 1.186 6 residues pruned to eliminate duplicates Z: 18 28.110 2.017 0.589 0.844 0.941 0.824 N 1.681 17 residues pruned to eliminate duplicates Z: 7 6.559 1.899 -0.009 0.680 1.000 0.500 CB 1.206 Z: 18 20.156 1.773 0.556 0.879 1.000 0.824 CB 1.285 Z: 18 24.171 1.969 0.373 0.913 0.941 0.765 N 1.631 18 residues pruned to eliminate duplicates Z: 10 8.994 1.819 0.341 0.742 1.000 0.778 CB 0.990 10 residues pruned to eliminate duplicates Z: 12 13.001 1.963 0.295 0.874 1.000 0.818 CB 1.122 12 residues pruned to eliminate duplicates Z: 6 2.800 1.630 0.234 0.296 0.800 0.400 N 0.978 Z: 20 12.559 1.742 0.665 0.643 0.895 0.632 CB 0.971 9 residues pruned to eliminate duplicates Z: 13 16.990 1.943 0.687 0.780 0.917 0.667 CB 1.276 13 residues pruned to eliminate duplicates Z: 13 18.113 1.856 0.858 0.876 1.000 1.000 CB 1.102 13 residues pruned to eliminate duplicates Z: 10 9.492 1.544 0.559 0.810 1.000 0.889 CB 1.003 Z: 9 7.817 1.893 0.421 0.365 0.875 0.875 CB 1.357 9 residues pruned to eliminate duplicates Z: 13 7.820 1.715 0.576 0.679 0.750 0.417 CB 0.944 13 residues pruned to eliminate duplicates Z: 9 17.604 1.983 0.846 0.864 1.000 0.875 CB 1.247 9 residues pruned to eliminate duplicates Z: 16 10.655 1.806 0.453 0.629 0.867 0.467 CB 1.072 16 residues pruned to eliminate duplicates Z: 15 26.405 1.869 0.658 0.899 1.000 0.857 O 1.627 15 residues pruned to eliminate duplicates Z: 6 4.317 1.998 0.186 0.852 1.000 1.000 CB 0.603 Z: 11 10.061 1.891 0.342 0.443 0.900 0.700 N 1.478 Z: 6 5.219 2.003 0.682 0.848 1.000 1.000 CB 0.514 Z: 22 16.498 1.747 0.395 0.804 0.905 0.762 CB 1.251 18 residues pruned to eliminate duplicates Z: 16 6.379 1.773 0.365 0.290 0.733 0.200 CB 1.176 15 residues pruned to eliminate duplicates Z: 14 21.753 1.798 0.862 0.898 1.000 0.846 CB 1.288 12 residues pruned to eliminate duplicates Z: 17 23.540 1.895 0.658 0.922 1.000 0.938 CB 1.318 18 residues pruned to eliminate duplicates Z: 14 8.855 1.696 0.671 0.402 0.769 0.615 CB 1.248 14 residues pruned to eliminate duplicates Z: 9 8.280 1.646 0.774 0.569 0.750 0.375 O 1.251 Z: 18 16.512 1.718 0.570 0.864 1.000 0.824 CB 1.088 17 residues pruned to eliminate duplicates Z: 7 12.170 2.006 0.713 0.644 0.833 0.667 CB 1.517 7 residues pruned to eliminate duplicates Z: 18 16.831 1.815 0.407 0.825 1.000 0.647 CB 1.206 18 residues pruned to eliminate duplicates Z: 9 7.899 1.917 0.758 0.456 0.625 0.375 CB 1.386 9 residues pruned to eliminate duplicates Z: 15 18.158 1.795 0.648 0.891 1.000 0.929 CB 1.179 Z: 8 3.049 1.436 0.307 0.321 0.714 0.286 CB 1.047 Z: 11 18.923 1.940 0.718 0.816 0.900 0.800 CB 1.516 11 residues pruned to eliminate duplicates Z: 7 7.262 1.733 0.493 0.560 0.833 0.667 CB 1.296 Z: 17 19.870 1.763 0.608 0.913 1.000 0.938 CB 1.240 17 residues pruned to eliminate duplicates Z: 6 2.166 1.861 -0.074 0.274 0.600 0.400 CB 1.211 Z: 14 21.101 1.873 0.999 0.896 1.000 0.692 CB 1.119 12 residues pruned to eliminate duplicates Z: 16 15.505 1.764 0.473 0.830 0.933 0.667 CB 1.241 16 residues pruned to eliminate duplicates Z: 9 13.174 1.902 0.337 0.851 1.000 0.875 CB 1.355 Z: 7 4.188 1.771 0.458 0.466 0.667 0.500 CB 1.027 Z: 12 7.757 1.893 0.442 0.431 0.909 0.364 CB 1.012 7 residues pruned to eliminate duplicates Z: 13 15.902 1.743 0.736 0.927 1.000 0.917 CB 1.063 13 residues pruned to eliminate duplicates Z: 11 14.796 1.793 0.699 0.678 0.900 0.800 CB 1.448 11 residues pruned to eliminate duplicates Z: 12 17.226 2.059 0.878 0.885 0.909 0.909 CB 1.067 12 residues pruned to eliminate duplicates Z: 12 14.313 1.819 0.384 0.818 1.000 0.727 CB 1.301 12 residues pruned to eliminate duplicates Z: 7 7.269 1.717 0.874 0.739 0.833 0.833 CB 0.893 Z: 20 17.906 1.830 0.458 0.653 1.000 0.684 CB 1.335 22 residues pruned to eliminate duplicates Z: 8 7.142 1.691 0.437 0.419 0.857 0.571 O 1.411 7 residues pruned to eliminate duplicates Z: 13 18.059 1.985 0.620 0.883 1.000 0.750 CB 1.172 13 residues pruned to eliminate duplicates Z: 7 7.667 1.975 0.258 0.872 1.000 1.000 CB 0.918 7 residues pruned to eliminate duplicates Z: 11 8.059 1.681 0.647 0.744 0.900 0.600 CB 0.822 Z: 16 15.550 1.800 0.420 0.828 1.000 0.800 CB 1.183 17 residues pruned to eliminate duplicates Z: 19 9.870 1.713 0.376 0.543 0.722 0.500 CB 1.311 30 residues pruned to eliminate duplicates Z: 8 7.873 1.648 0.911 0.461 0.714 0.429 O 1.376 8 residues pruned to eliminate duplicates Z: 7 5.037 1.723 0.792 0.561 0.833 0.667 CB 0.753 Z: 11 10.431 1.737 0.621 0.832 0.800 0.500 CB 1.099 11 residues pruned to eliminate duplicates Z: 12 5.068 1.739 0.256 0.300 0.818 0.273 CB 1.069 Z: 10 6.057 1.674 0.742 0.483 0.778 0.556 CB 0.906 9 residues pruned to eliminate duplicates Z: 9 5.824 1.878 0.119 0.303 0.875 0.375 CB 1.396 Z: 9 11.248 1.722 0.990 0.467 0.875 0.500 CA 1.371 7 residues pruned to eliminate duplicates Z: 17 27.915 1.968 0.716 0.928 1.000 0.812 N 1.448 17 residues pruned to eliminate duplicates Z: 13 17.122 1.898 0.824 0.908 0.833 0.500 CB 1.216 13 residues pruned to eliminate duplicates Z: 23 9.498 1.689 0.475 0.305 0.864 0.500 CB 1.169 23 residues pruned to eliminate duplicates Z: 10 6.271 1.833 0.640 0.646 0.889 0.556 CB 0.682 10 residues pruned to eliminate duplicates Z: 15 7.642 1.585 0.368 0.721 0.786 0.571 CB 0.982 Z: 12 5.770 1.652 0.531 0.317 0.909 0.545 CB 0.926 Z: 6 4.508 1.842 0.403 0.881 1.000 1.000 CB 0.565 Z: 14 17.703 1.760 0.582 0.867 1.000 0.923 CB 1.290 14 residues pruned to eliminate duplicates Z: 15 16.130 1.768 0.716 0.823 0.929 0.429 N 1.157 Z: 12 15.655 1.753 0.712 0.849 0.909 0.818 CB 1.282 12 residues pruned to eliminate duplicates Z: 15 26.820 1.885 0.749 0.877 1.000 0.857 N 1.579 15 residues pruned to eliminate duplicates Z: 18 15.701 1.810 0.638 0.853 0.882 0.471 CB 1.075 18 residues pruned to eliminate duplicates Z: 15 19.807 2.049 0.361 0.906 0.929 0.857 CB 1.454 15 residues pruned to eliminate duplicates Z: 8 6.013 1.812 0.228 0.904 1.000 1.000 CB 0.728 6 residues pruned to eliminate duplicates Z: 10 10.407 1.553 0.657 0.861 1.000 0.889 CB 0.990 10 residues pruned to eliminate duplicates Z: 10 14.323 1.744 0.635 0.875 1.000 0.889 CB 1.218 9 residues pruned to eliminate duplicates Z: 10 16.327 1.688 0.846 0.806 1.000 0.778 CB 1.337 10 residues pruned to eliminate duplicates Z: 6 13.989 1.890 0.799 0.844 1.000 0.800 O 1.369 Z: 20 16.392 1.734 0.486 0.903 0.947 0.947 CB 1.098 20 residues pruned to eliminate duplicates Z: 7 3.490 1.651 1.061 0.222 0.667 0.000 CB 0.869 7 residues pruned to eliminate duplicates Z: 15 20.217 1.799 0.663 0.879 1.000 0.643 CB 1.309 15 residues pruned to eliminate duplicates Z: 19 7.347 1.667 0.227 0.381 0.778 0.444 CB 1.236 Z: 16 10.675 1.767 0.221 0.585 0.800 0.600 O 1.471 22 residues pruned to eliminate duplicates Z: 11 21.388 2.066 0.478 0.848 1.000 0.900 CB 1.643 11 residues pruned to eliminate duplicates Z: 10 12.932 1.695 0.763 0.875 1.000 0.889 N 1.049 10 residues pruned to eliminate duplicates Z: 15 30.300 2.127 0.549 0.906 1.000 0.857 CB 1.747 15 residues pruned to eliminate duplicates Z: 16 12.725 1.562 0.552 0.869 0.867 0.800 CB 1.143 Z: 13 5.487 1.743 0.329 0.280 0.750 0.500 CB 1.169 Z: 8 2.897 1.989 0.409 0.770 1.000 0.857 CB 0.307 Z: 12 6.752 1.675 0.222 0.346 0.818 0.636 CB 1.436 8 residues pruned to eliminate duplicates Z: 10 5.209 1.807 0.567 0.393 0.667 0.556 CB 1.030 10 residues pruned to eliminate duplicates 8 1.946 1.279 0.344 0.237 0.714 0.429 CB 0.814 ? Z: 6 5.707 1.636 0.128 0.833 1.000 0.600 CB 1.038 6 residues pruned to eliminate duplicates Z: 21 7.098 1.680 0.576 0.357 0.750 0.550 CB 0.933 27 residues pruned to eliminate duplicates Z: 8 8.477 1.724 0.875 0.431 0.857 0.571 N 1.242 8 residues pruned to eliminate duplicates Z: 7 4.750 1.639 0.192 0.391 0.833 0.167 CB 1.336 Z: 10 9.407 1.828 0.285 0.639 0.889 0.667 CB 1.319 10 residues pruned to eliminate duplicates Z: 16 12.035 1.510 0.315 0.852 0.933 0.800 CB 1.240 15 residues pruned to eliminate duplicates Z: 18 23.961 1.758 0.895 0.915 1.000 0.882 CB 1.233 18 residues pruned to eliminate duplicates Z: 6 5.544 1.570 0.474 0.632 0.800 0.600 N 1.183 Z: 7 10.136 1.831 0.405 0.872 1.000 0.833 O 1.173 7 residues pruned to eliminate duplicates Z: 10 5.738 1.912 0.631 0.900 1.000 1.000 CB 0.438 Z: 13 2.098 1.516 0.057 0.226 0.750 0.500 CB 0.694 13 residues pruned to eliminate duplicates Z: 9 5.616 1.757 0.333 0.503 0.875 0.625 CB 0.966 10 residues pruned to eliminate duplicates Z: 12 6.483 1.806 0.351 0.385 0.727 0.455 CB 1.245 Z: 10 6.088 1.922 0.602 0.387 0.889 0.556 CB 0.836 10 residues pruned to eliminate duplicates Z: 7 4.923 1.621 0.523 0.418 0.833 0.500 CB 1.064 5 residues pruned to eliminate duplicates Z: 17 18.107 1.696 0.895 0.866 0.812 0.625 N 1.269 17 residues pruned to eliminate duplicates Z: 16 17.948 1.798 0.794 0.876 0.933 0.533 CB 1.118 17 residues pruned to eliminate duplicates Z: 7 6.803 1.846 0.512 0.734 0.833 0.667 CB 0.968 5 residues pruned to eliminate duplicates Z: 11 4.953 1.704 0.649 0.294 0.600 0.300 N 1.169 10 residues pruned to eliminate duplicates Z: 9 2.943 1.701 0.342 0.263 0.625 0.500 CB 0.956 9 residues pruned to eliminate duplicates Z: 10 10.443 1.979 0.775 0.372 0.889 0.556 CB 1.279 10 residues pruned to eliminate duplicates Z: 19 21.923 2.032 0.370 0.642 1.000 0.611 CB 1.625 19 residues pruned to eliminate duplicates 6 1.823 1.464 0.439 0.428 0.400 0.400 O 1.043 ? 6 1.006 1.267 0.010 0.351 0.800 0.600 CB 0.516 ? 6 0.878 1.090 0.859 0.322 0.600 0.400 CB 0.393 ? Z: 9 6.189 1.702 0.207 0.530 0.875 0.625 CB 1.182 Z: 10 6.785 1.854 0.339 0.418 0.778 0.444 CB 1.276 10 residues pruned to eliminate duplicates Z: 10 5.316 1.688 0.555 0.355 0.889 0.556 CB 0.888 Z: 8 9.484 1.770 0.667 0.643 0.857 0.571 CB 1.240 Z: 10 9.198 1.878 0.560 0.496 0.889 0.667 CB 1.182 6 residues pruned to eliminate duplicates Z: 21 8.048 1.680 0.417 0.417 0.750 0.300 CB 1.099 21 residues pruned to eliminate duplicates Z: 6 2.082 0.957 0.794 0.819 0.800 0.600 N 0.514 Z: 7 3.175 1.269 1.098 0.633 0.667 0.500 CB 0.645 Z: 7 10.324 1.652 0.961 0.569 1.000 0.667 CB 1.217 6 residues pruned to eliminate duplicates Z: 16 33.104 2.109 0.674 0.917 1.000 0.867 CB 1.709 16 residues pruned to eliminate duplicates Z: 15 23.125 1.813 0.894 0.881 0.929 0.714 N 1.403 14 residues pruned to eliminate duplicates Z: 18 18.676 1.807 0.367 0.877 1.000 0.882 CB 1.332 18 residues pruned to eliminate duplicates Z: 8 6.481 1.833 0.765 0.328 0.857 0.571 CB 1.066 8 residues pruned to eliminate duplicates Z: 8 13.236 1.782 1.094 0.903 1.000 1.000 CB 0.956 10 residues pruned to eliminate duplicates Z: 9 3.169 1.702 0.760 0.820 0.875 0.875 CB 0.324 Z: 14 12.665 1.675 0.724 0.761 0.846 0.692 CB 1.140 14 residues pruned to eliminate duplicates Z: 6 5.475 1.688 0.358 0.354 0.800 0.400 C 1.565 Z: 11 4.847 1.410 0.723 0.241 0.800 0.700 CB 1.064 Z: 7 6.008 1.674 0.097 0.533 1.000 0.833 CB 1.293 6 residues pruned to eliminate duplicates Z: 12 4.348 1.784 0.380 0.197 0.727 0.364 CB 1.050 8 residues pruned to eliminate duplicates Z: 9 6.522 1.945 0.324 0.914 1.000 1.000 CB 0.633 Z: 18 18.551 1.873 0.465 0.814 1.000 0.824 CB 1.248 18 residues pruned to eliminate duplicates Z: 11 8.502 1.858 0.323 0.510 0.900 0.600 CB 1.203 10 residues pruned to eliminate duplicates Z: 10 13.342 1.680 0.945 0.774 0.889 0.667 O 1.202 10 residues pruned to eliminate duplicates Z: 9 4.827 1.618 0.271 0.510 0.750 0.500 CB 1.096 Z: 13 8.709 1.657 0.477 0.554 0.833 0.583 CB 1.170 Z: 6 5.370 1.742 0.309 0.380 0.800 0.600 N 1.496 6 residues pruned to eliminate duplicates Z: 8 4.128 1.509 0.596 0.732 0.857 0.714 CB 0.614 Z: 8 6.401 1.690 0.589 0.379 0.857 0.714 N 1.196 Z: 16 20.618 1.904 0.736 0.842 1.000 0.600 CB 1.200 16 residues pruned to eliminate duplicates Z: 17 19.035 1.908 0.657 0.832 0.938 0.688 CB 1.206 17 residues pruned to eliminate duplicates Z: 9 12.951 1.845 0.365 0.906 1.000 1.000 CB 1.293 9 residues pruned to eliminate duplicates Z: 8 2.912 1.478 0.301 0.351 0.571 0.429 CA 1.177 Z: 8 9.640 1.652 0.848 0.801 1.000 0.714 CB 0.917 8 residues pruned to eliminate duplicates Z: 16 23.854 1.782 0.705 0.891 1.000 0.733 O 1.458 16 residues pruned to eliminate duplicates 6 1.784 1.750 0.080 0.100 0.800 0.400 CB 0.880 ? Z: 9 7.793 1.786 0.277 0.785 0.875 0.625 CB 1.074 9 residues pruned to eliminate duplicates Z: 7 7.210 1.411 0.454 0.857 1.000 0.833 N 1.057 Z: 6 3.832 1.428 0.321 0.698 0.800 0.800 CB 0.948 Z: 7 3.165 1.476 0.879 0.374 0.667 0.667 CB 0.800 Z: 6 4.263 1.596 0.475 0.614 1.000 0.800 N 0.727 Z: 6 3.712 1.316 0.436 0.597 1.000 0.400 N 0.800 Z: 18 20.936 1.772 0.751 0.724 0.941 0.706 O 1.420 18 residues pruned to eliminate duplicates Z: 6 2.047 1.634 0.026 0.559 0.600 0.600 O 0.859 6 residues pruned to eliminate duplicates Z: 11 14.640 1.972 0.757 0.483 0.900 0.800 CB 1.511 12 residues pruned to eliminate duplicates Z: 7 5.250 1.585 0.225 0.738 1.000 0.333 CB 0.892 Z: 9 4.371 1.725 0.664 0.186 0.750 0.750 CB 1.046 8 residues pruned to eliminate duplicates Z: 6 4.671 1.816 0.385 0.825 1.000 0.800 CB 0.627 Z: 13 12.565 1.668 0.450 0.866 1.000 0.750 CB 1.098 13 residues pruned to eliminate duplicates Z: 8 5.289 1.792 0.776 0.212 0.714 0.571 CB 1.236 8 residues pruned to eliminate duplicates Z: 7 4.656 1.719 1.050 0.576 0.833 0.333 CB 0.601 7 residues pruned to eliminate duplicates Z: 9 4.161 1.450 0.541 0.479 0.625 0.375 O 1.076 Z: 6 4.468 1.798 0.277 0.707 1.000 1.000 CB 0.721 5 residues pruned to eliminate duplicates Z: 11 4.721 1.609 0.403 0.311 0.700 0.300 CB 1.165 6 residues pruned to eliminate duplicates Z: 16 8.522 1.870 0.433 0.396 0.800 0.267 CB 1.145 16 residues pruned to eliminate duplicates Z: 19 15.628 1.629 0.646 0.866 0.944 0.778 CB 1.065 19 residues pruned to eliminate duplicates Z: 10 3.583 1.748 0.267 0.535 0.778 0.667 CB 0.669 Z: 17 19.882 1.817 0.747 0.850 1.000 0.875 CB 1.160 17 residues pruned to eliminate duplicates Z: 6 6.187 1.619 0.548 0.840 1.000 0.600 CB 0.824 Z: 11 4.762 1.782 0.332 0.506 0.700 0.400 CB 0.901 11 residues pruned to eliminate duplicates 6 0.963 1.239 0.221 0.306 0.600 0.600 CB 0.588 ? Z: 7 10.575 1.583 0.447 0.870 1.000 1.000 CB 1.376 6 residues pruned to eliminate duplicates Z: 10 10.880 1.560 0.693 0.832 1.000 0.778 N 1.031 10 residues pruned to eliminate duplicates Z: 11 10.198 1.805 0.345 0.637 1.000 0.800 CB 1.168 11 residues pruned to eliminate duplicates Z: 8 5.918 1.529 0.393 0.709 1.000 0.429 CB 0.869 7 residues pruned to eliminate duplicates Z: 9 3.991 1.635 0.194 0.184 0.750 0.500 CB 1.410 6 1.012 1.338 0.581 0.285 0.800 0.400 CB 0.341 ? Z: 8 7.034 1.682 0.851 0.749 0.857 0.429 CB 0.798 6 residues pruned to eliminate duplicates Z: 6 4.607 1.324 0.617 0.676 0.800 0.600 N 1.023 Z: 8 5.531 1.507 0.332 0.456 1.000 0.429 N 1.089 Z: 7 2.673 1.272 0.155 0.412 1.000 0.833 CB 0.814 Z: 8 5.309 1.700 0.683 0.467 0.714 0.429 CB 1.015 8 residues pruned to eliminate duplicates Z: 8 4.028 1.423 0.308 0.291 0.857 0.429 O 1.205 Z: 8 4.494 1.691 0.550 0.323 0.714 0.286 O 1.102 8 residues pruned to eliminate duplicates Z: 7 4.916 1.782 0.179 0.442 1.000 0.333 CB 1.014 7 residues pruned to eliminate duplicates Z: 17 28.745 2.004 0.907 0.885 0.938 0.438 CB 1.449 17 residues pruned to eliminate duplicates Z: 8 3.366 1.487 0.290 0.236 0.857 0.429 N 1.052 Z: 23 15.195 1.731 0.636 0.503 0.909 0.455 CB 1.255 25 residues pruned to eliminate duplicates Z: 10 4.283 1.552 0.796 0.354 0.778 0.667 CB 0.771 10 residues pruned to eliminate duplicates Z: 9 6.521 1.591 0.475 0.408 0.875 0.625 CB 1.236 9 residues pruned to eliminate duplicates Z: 6 2.819 1.551 0.253 0.509 0.800 0.600 CB 0.803 8 1.724 1.501 0.090 0.289 0.571 0.429 CB 0.883 ? Z: 9 6.483 1.550 0.475 0.544 1.000 0.500 CB 0.960 10 residues pruned to eliminate duplicates Z: 6 3.868 1.393 0.692 0.726 0.600 0.600 N 0.998 6 residues pruned to eliminate duplicates 9 1.762 1.531 0.012 0.216 0.750 0.375 CB 0.749 ? Z: 25 19.367 1.868 0.708 0.622 0.875 0.625 CB 1.262 25 residues pruned to eliminate duplicates Z: 7 3.422 1.416 0.138 0.403 1.000 0.667 N 0.960 Z: 10 2.213 1.590 0.394 0.208 0.444 0.444 CB 1.058 10 residues pruned to eliminate duplicates Z: 11 5.814 1.578 0.209 0.480 0.800 0.100 CB 1.230 7 residues pruned to eliminate duplicates Z: 10 7.094 1.624 0.462 0.423 0.889 0.444 CB 1.215 11 residues pruned to eliminate duplicates 6 1.934 1.382 0.125 0.299 0.600 0.600 O 1.161 ? 6 1.633 1.748 0.081 0.701 0.600 0.400 CB 0.536 ? Z: 8 6.124 1.326 0.659 0.787 0.857 0.571 CB 0.954 Z: 23 8.675 1.673 0.441 0.274 0.818 0.500 CB 1.213 11 residues pruned to eliminate duplicates Z: 6 2.590 1.324 0.531 0.265 0.800 0.400 N 0.934 Z: 7 3.316 1.380 0.681 0.804 1.000 0.333 CB 0.447 Z: 8 2.488 1.290 0.184 0.337 0.714 0.571 CB 1.029 6 1.227 1.432 0.805 0.757 0.600 0.400 CB 0.281 ? 6 1.800 1.301 0.660 0.467 0.800 0.800 CB 0.482 ? Z: 10 3.052 1.328 0.478 0.397 0.778 0.556 CB 0.743 Z: 7 3.040 1.787 -0.023 0.446 0.667 0.167 CB 1.127 7 residues pruned to eliminate duplicates Z: 13 3.026 1.781 0.129 0.162 0.667 0.000 CB 0.985 4 residues pruned to eliminate duplicates Z: 11 12.988 1.819 0.319 0.860 1.000 0.700 CB 1.259 11 residues pruned to eliminate duplicates Z: 8 5.761 1.906 0.821 0.894 1.000 0.857 CB 0.450 8 residues pruned to eliminate duplicates Z: 7 5.378 1.591 0.751 0.448 0.667 0.500 O 1.247 Z: 6 3.857 1.514 0.395 0.235 0.800 0.400 N 1.390 Z: 7 4.180 1.558 0.000 0.384 1.000 0.833 CB 1.239 Z: 12 8.810 1.551 1.006 0.535 0.818 0.636 CB 1.009 10 residues pruned to eliminate duplicates Z: 8 4.709 1.521 0.181 0.766 0.714 0.571 CB 1.096 Z: 14 22.355 1.817 1.013 0.839 0.923 0.769 CB 1.371 14 residues pruned to eliminate duplicates 6 1.075 1.661 0.719 0.796 0.800 0.600 CB 0.162 ? Z: 14 13.868 1.839 0.727 0.875 1.000 0.769 CB 0.881 14 residues pruned to eliminate duplicates Z: 6 13.343 1.717 0.887 0.866 1.000 1.000 N 1.348 6 residues pruned to eliminate duplicates Z: 6 6.182 1.930 0.833 0.801 1.000 0.600 CB 0.601 6 residues pruned to eliminate duplicates Z: 6 3.992 1.489 0.932 0.552 0.800 0.600 CB 0.737 Z: 13 15.024 1.852 0.590 0.844 0.833 0.500 CB 1.315 13 residues pruned to eliminate duplicates Z: 18 30.942 1.950 0.941 0.883 1.000 0.529 CB 1.434 18 residues pruned to eliminate duplicates Z: 9 3.068 1.677 0.706 0.307 0.625 0.500 CB 0.752 7 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 6.155 1.763 0.569 0.306 0.833 0.500 N 1.351 15 residues pruned to eliminate duplicates Z: 6 3.087 1.456 0.039 0.288 1.000 0.000 CA 1.158 Z: 8 7.021 1.592 0.675 0.727 0.857 0.714 CB 0.946 9 residues pruned to eliminate duplicates Z: 6 4.981 1.695 0.385 0.663 0.600 0.600 CB 1.360 6 residues pruned to eliminate duplicates Z: 11 6.143 1.818 0.531 0.248 0.700 0.500 CB 1.333 12 residues pruned to eliminate duplicates Z: 7 6.899 1.587 1.025 0.465 0.667 0.333 CA 1.362 7 residues pruned to eliminate duplicates Z: 26 13.400 1.683 0.661 0.509 0.880 0.360 CB 1.080 24 residues pruned to eliminate duplicates Z: 6 2.489 1.362 0.303 0.356 0.800 0.600 CA 0.916 Z: 6 4.298 1.652 0.750 0.328 0.800 0.800 CA 1.003 6 residues pruned to eliminate duplicates Z: 7 4.313 1.197 0.859 0.503 0.833 0.500 CA 0.947 Z: 6 2.463 1.725 0.310 0.497 0.800 0.600 CB 0.611 6 residues pruned to eliminate duplicates Z: 14 11.087 1.988 0.457 0.550 0.923 0.615 CB 1.095 14 residues pruned to eliminate duplicates Z: 6 6.452 1.549 0.443 0.746 0.800 0.800 O 1.295 6 residues pruned to eliminate duplicates Z: 13 9.551 1.759 0.301 0.518 0.917 0.750 CB 1.292 13 residues pruned to eliminate duplicates Z: 11 11.258 1.830 0.446 0.582 0.900 0.600 CB 1.382 11 residues pruned to eliminate duplicates Z: 11 12.926 1.876 0.421 0.589 1.000 0.700 CB 1.409 11 residues pruned to eliminate duplicates Z: 10 13.285 1.790 0.517 0.768 0.889 0.556 CB 1.448 10 residues pruned to eliminate duplicates Z: 10 17.217 1.790 0.600 0.885 1.000 0.778 CB 1.446 10 residues pruned to eliminate duplicates Z: 6 15.886 1.901 1.154 0.782 1.000 0.600 N 1.353 6 residues pruned to eliminate duplicates Z: 6 13.841 1.806 0.938 0.832 1.000 0.800 N 1.327 6 residues pruned to eliminate duplicates Z: 8 10.031 1.551 0.986 0.595 1.000 0.714 N 1.125 7 residues pruned to eliminate duplicates Z: 6 10.084 1.863 0.593 0.844 1.000 0.800 N 1.131 6 residues pruned to eliminate duplicates Z: 10 8.131 1.542 0.614 0.722 1.000 0.778 N 0.891 8 residues pruned to eliminate duplicates Z: 13 17.517 1.840 0.600 0.895 0.917 0.750 CB 1.343 13 residues pruned to eliminate duplicates Z: 13 12.030 1.821 0.493 0.720 0.833 0.667 CB 1.256 13 residues pruned to eliminate duplicates Z: 19 24.703 1.927 0.886 0.677 1.000 0.611 CB 1.361 24 residues pruned to eliminate duplicates Z: 16 24.664 1.834 0.793 0.852 1.000 0.867 N 1.432 16 residues pruned to eliminate duplicates Z: 25 21.913 1.871 0.695 0.644 0.958 0.750 CB 1.287 25 residues pruned to eliminate duplicates Z: 21 25.095 1.908 0.695 0.676 1.000 0.800 CB 1.476 21 residues pruned to eliminate duplicates Z: 21 26.766 1.934 0.793 0.687 1.000 0.900 CB 1.453 21 residues pruned to eliminate duplicates Z: 24 23.593 1.959 0.730 0.615 0.913 0.609 CB 1.425 24 residues pruned to eliminate duplicates Z: 23 24.213 1.894 0.879 0.631 1.000 0.636 CB 1.283 23 residues pruned to eliminate duplicates Z: 16 25.425 1.824 0.826 0.870 1.000 0.733 N 1.439 16 residues pruned to eliminate duplicates Z: 21 28.465 1.932 0.877 0.722 1.000 0.650 CB 1.436 39 residues pruned to eliminate duplicates Z: 6 3.185 1.496 0.822 0.290 0.800 0.600 O 0.827 6 residues pruned to eliminate duplicates Z: 11 7.748 1.790 0.720 0.456 0.900 0.400 CB 0.925 11 residues pruned to eliminate duplicates Z: 17 27.114 2.038 0.311 0.925 1.000 0.938 N 1.779 17 residues pruned to eliminate duplicates Z: 17 22.755 2.063 0.271 0.864 0.938 0.688 CB 1.697 17 residues pruned to eliminate duplicates Z: 26 16.134 1.830 0.354 0.640 0.840 0.640 CB 1.361 26 residues pruned to eliminate duplicates Z: 15 24.190 2.065 0.355 0.918 0.929 0.786 CB 1.755 15 residues pruned to eliminate duplicates Z: 17 21.931 2.087 0.370 0.866 0.875 0.812 CB 1.605 17 residues pruned to eliminate duplicates Z: 20 22.907 1.937 0.521 0.720 0.947 0.632 N 1.544 20 residues pruned to eliminate duplicates Z: 17 19.090 2.016 0.506 0.772 0.812 0.625 CB 1.520 17 residues pruned to eliminate duplicates Z: 22 21.964 1.860 0.709 0.776 0.952 0.714 CB 1.241 22 residues pruned to eliminate duplicates Z: 21 23.039 1.982 0.576 0.722 0.850 0.750 N 1.588 21 residues pruned to eliminate duplicates Z: 19 21.687 1.970 0.802 0.771 0.778 0.667 N 1.456 19 residues pruned to eliminate duplicates Z: 22 18.969 1.935 0.684 0.697 0.810 0.571 CB 1.311 22 residues pruned to eliminate duplicates Z: 17 24.822 2.037 0.716 0.815 0.875 0.812 CB 1.543 17 residues pruned to eliminate duplicates Z: 22 20.172 1.910 0.615 0.637 0.905 0.524 CB 1.388 22 residues pruned to eliminate duplicates Z: 17 26.726 1.997 1.081 0.872 0.875 0.562 N 1.339 17 residues pruned to eliminate duplicates Z: 18 30.916 2.030 0.845 0.876 0.941 0.765 N 1.546 17 residues pruned to eliminate duplicates Z: 9 10.695 1.625 0.402 0.895 1.000 1.000 N 1.190 22 residues pruned to eliminate duplicates Z: 12 8.512 1.661 0.773 0.498 1.000 0.455 CB 0.873 12 residues pruned to eliminate duplicates Z: 8 9.797 1.797 0.583 0.730 1.000 0.714 CB 1.058 8 residues pruned to eliminate duplicates Z: 9 11.004 1.604 0.580 0.888 1.000 0.875 N 1.106 8 residues pruned to eliminate duplicates Z: 10 8.085 1.562 0.684 0.852 1.000 1.000 CB 0.758 9 residues pruned to eliminate duplicates Z: 8 8.951 1.750 0.562 0.846 1.000 0.857 CB 0.919 8 residues pruned to eliminate duplicates 6 1.618 1.191 0.605 0.279 0.800 0.200 O 0.608 ? Z: 7 6.128 1.924 0.223 0.718 0.833 0.667 CB 1.048 7 residues pruned to eliminate duplicates Z: 20 9.898 1.819 0.300 0.424 0.737 0.263 CB 1.410 23 residues pruned to eliminate duplicates Z: 9 4.160 1.687 0.275 0.537 0.750 0.375 CB 0.878 9 residues pruned to eliminate duplicates Z: 9 8.778 1.975 0.405 0.599 0.750 0.750 CB 1.357 9 residues pruned to eliminate duplicates Z: 15 12.125 1.945 0.427 0.670 0.857 0.643 CB 1.164 15 residues pruned to eliminate duplicates Z: 13 8.123 1.803 0.197 0.678 0.917 0.750 CB 1.006 13 residues pruned to eliminate duplicates Z: 16 15.113 1.916 0.509 0.655 0.867 0.667 CB 1.348 17 residues pruned to eliminate duplicates Z: 12 16.399 2.059 0.547 0.915 1.000 0.909 CB 1.097 17 residues pruned to eliminate duplicates Z: 12 19.683 1.976 0.636 0.877 1.000 0.909 CB 1.332 12 residues pruned to eliminate duplicates Z: 12 15.589 1.902 0.804 0.706 0.909 0.818 CB 1.249 12 residues pruned to eliminate duplicates Z: 18 14.924 1.906 0.394 0.669 0.941 0.588 CB 1.238 18 residues pruned to eliminate duplicates Z: 6 2.845 1.823 0.550 0.282 0.600 0.400 CB 0.959 Z: 15 10.710 1.775 0.739 0.742 0.929 0.571 CB 0.804 15 residues pruned to eliminate duplicates Z: 10 12.451 1.872 0.511 0.687 1.000 0.667 CB 1.236 10 residues pruned to eliminate duplicates Z: 7 9.902 1.831 0.429 0.791 1.000 0.833 CB 1.197 7 residues pruned to eliminate duplicates Z: 11 11.544 1.671 0.580 0.705 1.000 0.800 CB 1.148 12 residues pruned to eliminate duplicates Z: 11 13.136 1.691 0.799 0.810 1.000 0.600 CB 1.042 10 residues pruned to eliminate duplicates Z: 15 13.318 1.632 0.451 0.873 0.929 0.857 CB 1.179 15 residues pruned to eliminate duplicates Z: 8 7.475 1.721 0.735 0.551 0.714 0.571 N 1.260 8 residues pruned to eliminate duplicates Z: 7 4.901 1.666 0.622 0.559 0.667 0.500 N 1.049 7 residues pruned to eliminate duplicates Z: 12 6.948 1.720 0.452 0.429 0.909 0.545 CB 0.993 12 residues pruned to eliminate duplicates Z: 21 12.506 1.832 0.295 0.659 0.850 0.750 CB 1.197 21 residues pruned to eliminate duplicates Z: 15 12.632 1.790 0.475 0.692 0.929 0.786 CB 1.156 15 residues pruned to eliminate duplicates Z: 18 8.266 1.635 0.420 0.521 0.824 0.412 CB 1.027 18 residues pruned to eliminate duplicates Z: 9 7.568 1.612 0.519 0.616 0.875 0.750 CB 1.119 9 residues pruned to eliminate duplicates Z: 15 10.780 1.788 0.524 0.674 0.786 0.500 CB 1.146 15 residues pruned to eliminate duplicates Z: 23 10.859 1.799 0.441 0.407 0.864 0.364 CB 1.139 24 residues pruned to eliminate duplicates Z: 12 13.838 1.835 0.713 0.826 0.909 0.545 CB 1.101 12 residues pruned to eliminate duplicates Z: 9 9.347 1.655 0.809 0.856 0.750 0.250 CB 1.086 9 residues pruned to eliminate duplicates Z: 20 11.786 1.863 0.570 0.422 0.842 0.579 CB 1.190 24 residues pruned to eliminate duplicates Z: 10 18.183 1.932 0.820 0.862 0.889 0.222 CB 1.424 10 residues pruned to eliminate duplicates Z: 11 15.409 2.008 0.930 0.616 0.900 0.800 CB 1.253 11 residues pruned to eliminate duplicates Z: 17 11.515 1.846 0.594 0.454 0.875 0.500 CB 1.172 17 residues pruned to eliminate duplicates Z: 17 15.123 1.979 0.683 0.592 0.812 0.750 CB 1.279 17 residues pruned to eliminate duplicates Z: 14 17.986 1.953 0.781 0.817 0.846 0.769 CB 1.288 14 residues pruned to eliminate duplicates Z: 23 17.454 1.855 0.928 0.671 0.909 0.727 CB 0.978 36 residues pruned to eliminate duplicates Z: 13 26.090 1.888 1.183 0.896 1.000 0.833 CB 1.310 13 residues pruned to eliminate duplicates Z: 21 21.552 1.940 0.695 0.659 0.950 0.650 CB 1.331 21 residues pruned to eliminate duplicates Z: 20 23.615 1.945 0.874 0.716 1.000 0.789 CB 1.223 27 residues pruned to eliminate duplicates Z: 14 20.785 1.889 1.124 0.899 1.000 0.846 CB 1.027 14 residues pruned to eliminate duplicates Z: 21 20.642 1.953 0.814 0.669 0.900 0.900 CB 1.238 21 residues pruned to eliminate duplicates Z: 20 12.529 1.794 0.633 0.500 0.895 0.579 CB 1.097 20 residues pruned to eliminate duplicates Z: 12 7.961 1.580 0.462 0.411 0.909 0.545 CB 1.255 20 residues pruned to eliminate duplicates Z: 7 3.989 1.432 0.400 0.523 0.667 0.333 O 1.191 Z: 13 11.097 1.509 0.414 0.896 1.000 1.000 CB 1.075 20 residues pruned to eliminate duplicates Z: 12 13.210 1.582 0.676 0.883 0.909 0.909 CB 1.195 12 residues pruned to eliminate duplicates Z: 7 5.494 1.548 0.572 0.667 0.833 0.500 N 0.948 7 residues pruned to eliminate duplicates Z: 14 8.278 1.591 0.255 0.726 0.846 0.769 CB 1.109 14 residues pruned to eliminate duplicates Z: 13 10.311 1.582 0.490 0.707 0.917 0.583 CB 1.141 13 residues pruned to eliminate duplicates Z: 16 9.997 1.613 0.365 0.749 0.933 0.600 CB 1.006 16 residues pruned to eliminate duplicates Z: 16 9.006 1.706 0.433 0.599 0.933 0.600 CB 0.927 16 residues pruned to eliminate duplicates Z: 9 4.720 1.710 0.374 0.585 0.625 0.250 CB 1.048 Z: 8 4.930 1.346 0.841 0.683 1.000 0.143 N 0.635 17 residues pruned to eliminate duplicates Z: 6 6.756 1.690 0.995 0.438 0.800 0.400 CB 1.194 7 residues pruned to eliminate duplicates Z: 10 9.477 1.642 0.439 0.786 0.889 0.556 N 1.170 10 residues pruned to eliminate duplicates Z: 16 4.470 1.585 0.319 0.330 0.800 0.400 CB 0.831 5 residues pruned to eliminate duplicates Z: 6 3.986 1.562 0.539 0.453 0.800 0.800 CB 0.972 6 residues pruned to eliminate duplicates Z: 9 7.227 1.933 0.258 0.563 1.000 0.750 CB 0.988 10 residues pruned to eliminate duplicates Z: 14 14.997 1.800 0.539 0.812 1.000 0.846 CB 1.145 14 residues pruned to eliminate duplicates Z: 20 14.304 1.911 0.559 0.553 0.842 0.421 CB 1.242 20 residues pruned to eliminate duplicates Z: 15 13.069 1.948 0.437 0.666 0.857 0.571 CB 1.249 15 residues pruned to eliminate duplicates Z: 15 14.624 1.970 0.422 0.673 0.929 0.500 CB 1.281 15 residues pruned to eliminate duplicates Z: 19 13.514 1.963 0.334 0.560 0.833 0.500 CB 1.377 19 residues pruned to eliminate duplicates Z: 28 11.296 1.806 0.533 0.370 0.852 0.370 CB 1.059 24 residues pruned to eliminate duplicates Z: 13 21.490 1.899 0.833 0.883 1.000 0.833 CB 1.288 15 residues pruned to eliminate duplicates Z: 14 20.341 1.824 0.958 0.748 1.000 0.692 CB 1.267 14 residues pruned to eliminate duplicates Z: 24 12.290 1.846 0.299 0.511 0.870 0.478 CB 1.215 24 residues pruned to eliminate duplicates Z: 16 17.133 1.919 0.625 0.626 0.933 0.533 CB 1.350 16 residues pruned to eliminate duplicates Z: 19 22.151 1.928 0.665 0.643 1.000 0.667 CB 1.423 30 residues pruned to eliminate duplicates Z: 12 14.305 1.885 0.369 0.822 1.000 0.545 CB 1.264 27 residues pruned to eliminate duplicates Z: 21 10.533 1.722 0.451 0.557 0.800 0.500 CB 1.115 21 residues pruned to eliminate duplicates Z: 9 12.366 1.950 0.598 0.798 0.875 0.625 CB 1.236 9 residues pruned to eliminate duplicates Z: 10 11.168 1.937 0.415 0.756 0.889 0.778 CB 1.217 10 residues pruned to eliminate duplicates Z: 10 15.286 1.920 0.753 0.725 1.000 0.778 CB 1.236 10 residues pruned to eliminate duplicates Z: 11 12.892 1.900 0.650 0.753 0.900 0.500 CB 1.154 11 residues pruned to eliminate duplicates Z: 15 16.805 1.855 0.764 0.829 0.929 0.643 CB 1.112 15 residues pruned to eliminate duplicates Z: 6 5.558 1.788 0.477 0.536 1.000 0.600 CB 0.908 6 residues pruned to eliminate duplicates Z: 18 21.633 1.914 0.775 0.622 1.000 0.647 CB 1.377 16 residues pruned to eliminate duplicates Z: 17 12.678 1.848 0.239 0.811 0.875 0.750 CB 1.207 17 residues pruned to eliminate duplicates Z: 14 11.857 1.966 0.420 0.763 0.846 0.538 CB 1.102 14 residues pruned to eliminate duplicates Z: 18 19.434 1.989 0.467 0.790 1.000 0.765 CB 1.252 18 residues pruned to eliminate duplicates Z: 17 17.472 1.977 0.499 0.765 0.938 0.812 CB 1.242 17 residues pruned to eliminate duplicates Z: 19 15.719 1.927 0.451 0.688 0.944 0.556 CB 1.181 19 residues pruned to eliminate duplicates Z: 20 17.129 1.882 0.773 0.697 0.895 0.421 CB 1.099 20 residues pruned to eliminate duplicates Z: 26 13.858 1.862 0.593 0.608 0.760 0.560 CB 1.110 26 residues pruned to eliminate duplicates Z: 18 17.676 1.940 0.620 0.791 0.941 0.706 CB 1.122 18 residues pruned to eliminate duplicates Z: 18 18.107 1.990 0.550 0.745 0.941 0.706 CB 1.215 18 residues pruned to eliminate duplicates Z: 17 20.820 2.002 0.601 0.805 1.000 0.562 CB 1.245 17 residues pruned to eliminate duplicates Z: 17 20.340 2.006 0.552 0.796 0.938 0.750 CB 1.345 17 residues pruned to eliminate duplicates Z: 17 18.153 2.001 0.456 0.805 0.938 0.688 CB 1.273 17 residues pruned to eliminate duplicates Z: 24 18.385 1.928 0.533 0.625 0.913 0.565 CB 1.262 24 residues pruned to eliminate duplicates Z: 17 16.475 1.942 0.378 0.801 0.938 0.750 CB 1.262 17 residues pruned to eliminate duplicates Z: 17 20.408 1.980 0.657 0.790 0.938 0.750 CB 1.287 17 residues pruned to eliminate duplicates Z: 15 4.350 1.611 0.214 0.313 0.714 0.429 CB 1.023 Z: 7 7.964 2.001 0.231 0.867 1.000 1.000 CB 0.966 7 residues pruned to eliminate duplicates Z: 10 6.423 1.864 0.400 0.647 0.889 0.667 CB 0.805 10 residues pruned to eliminate duplicates Z: 10 6.101 1.848 0.253 0.698 0.889 0.667 CB 0.825 10 residues pruned to eliminate duplicates Z: 12 12.728 1.907 0.643 0.709 0.909 0.636 CB 1.115 13 residues pruned to eliminate duplicates Z: 9 8.502 1.924 0.563 0.776 1.000 0.875 CB 0.783 9 residues pruned to eliminate duplicates Z: 12 9.303 1.897 0.468 0.527 0.909 0.636 CB 1.078 12 residues pruned to eliminate duplicates Z: 14 10.290 1.787 0.517 0.556 1.000 0.538 CB 0.997 14 residues pruned to eliminate duplicates Z: 14 11.316 1.797 0.819 0.652 0.846 0.692 CB 0.986 12 residues pruned to eliminate duplicates Z: 11 21.303 1.812 0.853 0.832 1.000 0.600 CB 1.507 10 residues pruned to eliminate duplicates Z: 7 9.356 1.970 0.491 0.727 0.833 0.667 CB 1.272 7 residues pruned to eliminate duplicates Z: 16 10.587 1.805 0.683 0.555 0.800 0.800 CB 1.067 23 residues pruned to eliminate duplicates Z: 14 9.851 1.632 0.426 0.819 0.923 0.615 CB 0.964 14 residues pruned to eliminate duplicates Z: 13 10.475 1.727 0.638 0.787 0.833 0.500 CB 0.997 13 residues pruned to eliminate duplicates Z: 11 10.959 1.750 0.514 0.862 0.900 0.800 CB 1.067 11 residues pruned to eliminate duplicates Z: 11 5.454 1.714 0.476 0.691 0.700 0.700 CB 0.818 11 residues pruned to eliminate duplicates Z: 14 11.185 1.685 0.649 0.795 0.846 0.615 CB 1.018 14 residues pruned to eliminate duplicates Z: 17 16.136 1.921 0.412 0.688 0.875 0.500 CB 1.431 17 residues pruned to eliminate duplicates Z: 14 16.619 1.956 0.638 0.767 0.923 0.692 CB 1.230 14 residues pruned to eliminate duplicates Z: 10 6.218 1.665 0.683 0.583 0.778 0.556 N 0.878 9 residues pruned to eliminate duplicates Z: 16 19.560 1.865 0.565 0.900 1.000 0.733 CB 1.236 16 residues pruned to eliminate duplicates Z: 18 13.026 1.753 0.464 0.778 0.941 0.765 CB 1.023 18 residues pruned to eliminate duplicates Z: 13 16.055 2.018 0.223 0.874 0.917 0.833 CB 1.492 13 residues pruned to eliminate duplicates Z: 14 14.473 1.993 0.300 0.804 0.846 0.538 CB 1.404 14 residues pruned to eliminate duplicates Z: 18 19.662 1.789 0.788 0.847 0.941 0.765 CB 1.176 17 residues pruned to eliminate duplicates Z: 17 16.195 1.892 0.600 0.845 0.875 0.375 CB 1.137 17 residues pruned to eliminate duplicates Z: 13 11.229 1.911 0.732 0.727 0.833 0.500 N 0.958 13 residues pruned to eliminate duplicates Z: 17 15.873 1.872 0.659 0.708 0.938 0.625 CB 1.128 17 residues pruned to eliminate duplicates Z: 14 17.205 1.874 1.057 0.825 0.923 0.308 CB 1.012 14 residues pruned to eliminate duplicates Z: 18 17.256 1.909 0.757 0.822 0.882 0.706 CB 1.070 18 residues pruned to eliminate duplicates Z: 8 5.790 1.595 0.787 0.456 0.857 0.429 CB 0.937 6 residues pruned to eliminate duplicates Z: 17 22.762 1.910 0.800 0.885 1.000 0.750 CB 1.195 20 residues pruned to eliminate duplicates Z: 7 2.839 1.425 0.249 0.518 0.833 0.333 CB 0.768 6 residues pruned to eliminate duplicates Z: 6 2.195 1.497 0.459 0.176 0.600 0.200 CB 1.108 6 residues pruned to eliminate duplicates Z: 13 5.247 1.669 0.369 0.359 0.750 0.583 O 1.030 20 residues pruned to eliminate duplicates Z: 24 19.829 1.963 0.424 0.530 0.957 0.522 CB 1.502 24 residues pruned to eliminate duplicates Z: 21 18.978 2.022 0.424 0.532 0.900 0.650 CB 1.586 21 residues pruned to eliminate duplicates Z: 22 18.515 1.985 0.652 0.543 0.810 0.476 CB 1.460 22 residues pruned to eliminate duplicates Z: 25 21.147 1.968 0.519 0.497 0.917 0.583 N 1.580 25 residues pruned to eliminate duplicates Z: 36 18.000 1.869 0.663 0.416 0.829 0.457 CB 1.290 25 residues pruned to eliminate duplicates Z: 10 20.152 1.962 0.921 0.711 0.889 0.333 N 1.656 10 residues pruned to eliminate duplicates Z: 23 17.667 1.969 0.432 0.577 0.909 0.727 CB 1.365 23 residues pruned to eliminate duplicates Z: 18 17.599 1.937 0.548 0.576 0.824 0.706 CB 1.606 18 residues pruned to eliminate duplicates Z: 28 15.380 1.938 0.169 0.528 0.889 0.593 CB 1.429 28 residues pruned to eliminate duplicates Z: 25 17.368 1.923 0.336 0.530 0.917 0.500 CB 1.461 25 residues pruned to eliminate duplicates Z: 28 18.802 1.963 0.386 0.547 0.852 0.593 CB 1.491 28 residues pruned to eliminate duplicates Z: 25 19.712 1.923 0.413 0.555 0.917 0.667 O 1.532 25 residues pruned to eliminate duplicates Z: 22 20.809 2.048 0.272 0.624 0.952 0.619 CB 1.628 22 residues pruned to eliminate duplicates Z: 20 16.692 1.937 0.352 0.585 0.842 0.684 CB 1.602 20 residues pruned to eliminate duplicates Z: 37 22.385 1.919 0.596 0.456 0.917 0.611 CB 1.390 35 residues pruned to eliminate duplicates Z: 6 2.260 1.475 0.916 0.288 0.600 0.400 N 0.757 Z: 6 6.587 1.987 0.354 0.429 1.000 0.600 CB 1.178 6 residues pruned to eliminate duplicates Z: 12 9.131 2.005 0.645 0.273 0.818 0.455 CB 1.320 18 residues pruned to eliminate duplicates Z: 12 9.790 1.995 0.632 0.345 0.818 0.545 CB 1.312 12 residues pruned to eliminate duplicates Z: 12 8.968 1.959 0.545 0.347 0.909 0.455 CB 1.160 12 residues pruned to eliminate duplicates Z: 8 3.664 1.612 0.238 0.326 0.714 0.571 CB 1.176 8 residues pruned to eliminate duplicates Z: 6 2.866 1.408 0.454 0.492 0.800 0.400 CB 0.789 6 residues pruned to eliminate duplicates Z: 20 10.516 1.826 0.420 0.481 0.842 0.526 CB 1.126 20 residues pruned to eliminate duplicates Z: 11 7.514 1.807 0.426 0.250 0.900 0.500 CB 1.366 9 residues pruned to eliminate duplicates Z: 6 2.579 1.329 0.397 0.355 1.000 0.400 O 0.726 6 residues pruned to eliminate duplicates Z: 11 9.056 1.791 0.316 0.422 1.000 0.400 CB 1.317 16 residues pruned to eliminate duplicates Z: 6 4.886 1.739 0.364 0.264 0.800 0.400 O 1.507 6 residues pruned to eliminate duplicates Z: 18 8.472 1.795 0.436 0.261 0.765 0.412 CB 1.369 15 residues pruned to eliminate duplicates Z: 6 6.177 1.527 0.630 0.483 1.000 0.600 CB 1.128 Z: 8 2.569 1.554 0.738 0.337 0.714 0.286 CB 0.601 Z: 7 9.428 1.795 0.505 0.867 1.000 0.833 CB 1.042 7 residues pruned to eliminate duplicates Z: 18 16.505 1.815 0.851 0.533 1.000 0.765 CB 1.153 49 residues pruned to eliminate duplicates Z: 16 13.539 1.724 0.579 0.761 0.933 0.600 CB 1.091 16 residues pruned to eliminate duplicates Z: 18 13.861 1.944 0.631 0.508 0.941 0.529 CB 1.117 18 residues pruned to eliminate duplicates Z: 31 14.024 1.789 0.632 0.523 0.800 0.467 CB 1.071 31 residues pruned to eliminate duplicates Z: 29 12.278 1.820 0.370 0.567 0.750 0.429 CB 1.163 29 residues pruned to eliminate duplicates Z: 22 17.816 1.810 0.541 0.666 1.000 0.667 CB 1.196 22 residues pruned to eliminate duplicates Z: 22 13.132 1.781 0.785 0.499 0.857 0.381 CB 1.052 22 residues pruned to eliminate duplicates Z: 8 11.547 1.751 0.616 0.750 0.857 0.714 N 1.440 8 residues pruned to eliminate duplicates Z: 12 6.086 1.714 0.353 0.509 0.818 0.364 N 0.959 12 residues pruned to eliminate duplicates Z: 13 10.089 1.776 0.397 0.571 0.833 0.417 N 1.316 13 residues pruned to eliminate duplicates Z: 11 7.744 1.603 0.831 0.553 0.700 0.600 N 1.131 11 residues pruned to eliminate duplicates Z: 8 5.783 1.800 0.277 0.417 0.714 0.286 O 1.452 8 residues pruned to eliminate duplicates 7 1.749 1.537 0.218 0.339 0.667 0.500 CB 0.682 ? Z: 11 3.578 1.415 0.322 0.239 0.700 0.500 N 1.168 Z: 6 5.263 1.178 0.982 0.636 1.000 0.600 N 0.887 Z: 9 8.534 1.701 0.593 0.797 0.875 0.500 CB 0.981 9 residues pruned to eliminate duplicates Z: 16 6.361 1.734 0.204 0.367 0.733 0.400 CB 1.237 21 residues pruned to eliminate duplicates Z: 9 10.464 1.869 0.510 0.702 0.875 0.500 CB 1.246 10 residues pruned to eliminate duplicates Z: 10 8.872 1.755 0.322 0.740 0.889 0.444 CB 1.157 9 residues pruned to eliminate duplicates Z: 9 9.223 1.838 0.458 0.720 0.875 0.375 CB 1.140 9 residues pruned to eliminate duplicates Z: 13 6.756 1.629 0.501 0.478 0.750 0.417 N 1.087 13 residues pruned to eliminate duplicates Z: 20 9.228 1.705 0.631 0.440 0.737 0.474 N 1.099 12 residues pruned to eliminate duplicates Z: 9 8.579 1.869 0.573 0.602 0.750 0.250 N 1.248 9 residues pruned to eliminate duplicates Z: 19 9.172 1.780 0.508 0.415 0.778 0.444 N 1.131 19 residues pruned to eliminate duplicates Z: 21 10.798 1.732 0.483 0.470 0.800 0.500 N 1.211 21 residues pruned to eliminate duplicates Z: 18 10.415 1.819 0.385 0.473 0.824 0.529 N 1.252 18 residues pruned to eliminate duplicates Z: 18 9.980 1.848 0.552 0.419 0.706 0.471 N 1.301 18 residues pruned to eliminate duplicates Z: 19 11.932 1.779 0.519 0.482 0.889 0.444 CB 1.191 20 residues pruned to eliminate duplicates Z: 6 5.314 1.375 1.268 0.524 0.800 0.400 O 0.930 6 residues pruned to eliminate duplicates Z: 6 7.007 1.780 0.550 0.455 1.000 0.600 CB 1.190 6 residues pruned to eliminate duplicates Z: 7 3.713 1.421 0.396 0.607 1.000 0.833 CB 0.690 7 residues pruned to eliminate duplicates Z: 23 11.242 1.706 0.481 0.435 0.818 0.500 N 1.239 22 residues pruned to eliminate duplicates 461 residues left after pruning, divided into chains as follows: A: 11 B: 8 C: 7 D: 7 E: 7 F: 14 G: 7 H: 7 I: 30 J: 10 K: 8 L: 18 M: 9 N: 17 O: 25 P: 27 Q: 9 R: 17 S: 15 T: 23 U: 8 V: 15 W: 21 X: 17 Y: 37 Z: 11 Z: 56 Z: 20 CC for partial structure against native data = 30.12 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.581, Connect. = 0.666 for dens.mod. cycle 1 = 0.300, Contrast = 0.692, Connect. = 0.703 for dens.mod. cycle 2 = 0.300, Contrast = 0.809, Connect. = 0.736 for dens.mod. cycle 3 = 0.300, Contrast = 0.830, Connect. = 0.740 for dens.mod. cycle 4 = 0.300, Contrast = 0.845, Connect. = 0.743 for dens.mod. cycle 5 = 0.300, Contrast = 0.850, Connect. = 0.746 for dens.mod. cycle 6 = 0.300, Contrast = 0.853, Connect. = 0.747 for dens.mod. cycle 7 = 0.300, Contrast = 0.854, Connect. = 0.749 for dens.mod. cycle 8 = 0.300, Contrast = 0.854, Connect. = 0.749 for dens.mod. cycle 9 = 0.300, Contrast = 0.853, Connect. = 0.750 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2798 peaks > 0.5 sigma used to seed fragment search Space for about 1287 unique residues taking solvent into account 550 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 14.647 1.811 0.645 0.841 0.909 0.818 CB 1.216 B: 10 4.906 1.659 0.174 0.375 0.778 0.778 CB 1.233 C: 17 17.641 1.865 0.570 0.812 0.938 0.688 CB 1.225 D: 10 20.956 1.913 0.922 0.918 1.000 1.000 CB 1.340 12 residues pruned to eliminate duplicates E: 11 11.686 1.729 0.577 0.747 1.000 0.700 CB 1.087 11 residues pruned to eliminate duplicates F: 8 5.695 1.600 0.580 0.463 0.857 0.571 CB 1.032 G: 11 12.221 1.860 0.415 0.782 1.000 0.800 CB 1.145 9 residues pruned to eliminate duplicates H: 18 25.899 1.980 0.525 0.857 1.000 0.706 CB 1.533 I: 17 22.686 1.944 0.359 0.924 1.000 0.812 CB 1.507 17 residues pruned to eliminate duplicates J: 7 6.133 2.065 0.554 0.793 0.833 0.500 CB 0.724 K: 14 16.691 2.023 0.492 0.857 0.923 0.846 CB 1.224 L: 17 19.311 1.843 0.690 0.852 0.938 0.750 CB 1.223 17 residues pruned to eliminate duplicates M: 20 13.321 1.651 0.452 0.885 1.000 0.842 CB 0.921 N: 11 7.243 1.839 0.725 0.367 0.700 0.500 CB 1.190 O: 23 10.152 1.849 0.543 0.233 0.773 0.455 CB 1.340 P: 15 14.834 1.832 0.605 0.770 0.929 0.571 CB 1.144 14 residues pruned to eliminate duplicates Q: 18 26.839 1.989 0.628 0.858 0.941 0.706 CB 1.572 18 residues pruned to eliminate duplicates R: 8 9.013 1.636 0.404 0.669 0.857 0.857 O 1.481 S: 18 28.415 2.012 0.510 0.895 1.000 0.882 CB 1.626 18 residues pruned to eliminate duplicates T: 10 12.534 1.908 0.529 0.800 1.000 0.778 CB 1.102 12 residues pruned to eliminate duplicates U: 14 17.513 1.884 0.331 0.892 1.000 0.846 CB 1.392 V: 20 14.279 1.791 0.467 0.579 0.895 0.789 CB 1.292 W: 15 18.920 1.842 0.744 0.753 0.929 0.714 CB 1.353 X: 25 8.157 1.674 0.629 0.200 0.750 0.333 CB 1.163 22 residues pruned to eliminate duplicates Y: 15 20.113 1.841 0.635 0.865 1.000 0.643 CB 1.308 14 residues pruned to eliminate duplicates Z: 14 12.977 1.736 0.307 0.778 0.923 0.846 CB 1.345 13 residues pruned to eliminate duplicates Z: 10 7.794 1.795 0.313 0.479 0.889 0.667 CB 1.267 Z: 18 21.477 1.788 0.458 0.872 1.000 0.824 O 1.456 Z: 18 24.374 1.972 0.394 0.903 1.000 0.882 CB 1.534 18 residues pruned to eliminate duplicates Z: 24 11.706 1.716 0.714 0.545 0.783 0.391 CB 1.015 14 residues pruned to eliminate duplicates Z: 15 16.554 1.716 0.510 0.875 1.000 0.786 CB 1.243 15 residues pruned to eliminate duplicates Z: 23 9.184 1.744 0.502 0.439 0.818 0.682 CB 0.973 23 residues pruned to eliminate duplicates Z: 16 22.241 1.720 0.829 0.916 1.000 0.933 CB 1.289 Z: 15 19.339 1.896 0.587 0.879 1.000 0.786 CB 1.246 15 residues pruned to eliminate duplicates Z: 18 25.490 2.000 0.356 0.887 1.000 0.824 CB 1.643 18 residues pruned to eliminate duplicates Z: 18 12.123 1.734 0.885 0.413 0.941 0.471 CB 1.047 Z: 7 2.187 1.492 0.347 0.249 0.667 0.500 N 0.890 Z: 16 18.271 1.997 0.619 0.827 0.933 0.733 CB 1.178 7 residues pruned to eliminate duplicates Z: 11 11.224 1.939 0.343 0.772 0.900 0.800 CB 1.190 7 residues pruned to eliminate duplicates Z: 16 18.462 1.991 0.459 0.714 1.000 0.933 CB 1.352 14 residues pruned to eliminate duplicates Z: 17 13.934 1.825 0.230 0.869 1.000 0.625 CB 1.134 17 residues pruned to eliminate duplicates Z: 13 18.583 1.998 0.301 0.917 1.000 1.000 CB 1.457 14 residues pruned to eliminate duplicates Z: 17 14.167 1.813 0.245 0.912 1.000 0.938 CB 1.112 17 residues pruned to eliminate duplicates Z: 11 7.245 1.726 0.531 0.322 0.900 0.600 CB 1.171 Z: 7 13.049 1.833 0.986 0.837 0.833 0.833 CB 1.314 7 residues pruned to eliminate duplicates Z: 15 24.471 1.821 0.762 0.900 1.000 0.714 CB 1.456 16 residues pruned to eliminate duplicates Z: 7 11.319 2.016 0.484 0.765 1.000 0.667 CB 1.222 7 residues pruned to eliminate duplicates Z: 14 20.347 1.858 0.596 0.841 1.000 0.769 CB 1.419 15 residues pruned to eliminate duplicates Z: 13 12.417 1.910 0.155 0.906 1.000 1.000 CB 1.156 13 residues pruned to eliminate duplicates Z: 31 17.492 1.796 0.441 0.622 0.900 0.667 CB 1.223 17 residues pruned to eliminate duplicates Z: 15 20.268 1.780 0.717 0.930 1.000 1.000 CB 1.240 Z: 8 5.827 1.817 0.164 0.724 0.857 0.429 CB 0.992 Z: 8 9.086 1.933 0.611 0.304 1.000 0.286 CB 1.373 Z: 11 8.907 1.823 0.175 0.408 1.000 0.500 N 1.448 Z: 7 12.102 1.784 0.611 0.674 1.000 0.667 O 1.464 8 residues pruned to eliminate duplicates Z: 12 3.858 1.515 0.274 0.376 0.636 0.364 CB 1.081 Z: 8 5.444 1.757 0.231 0.307 0.857 0.571 CB 1.377 8 residues pruned to eliminate duplicates Z: 15 19.169 1.742 0.848 0.875 0.929 0.857 CB 1.246 15 residues pruned to eliminate duplicates Z: 11 19.391 1.793 0.787 0.851 1.000 0.900 CB 1.416 11 residues pruned to eliminate duplicates Z: 7 5.181 1.774 0.692 0.649 0.667 0.500 CB 0.920 7 residues pruned to eliminate duplicates Z: 10 9.946 1.967 0.144 0.913 1.000 1.000 CB 1.042 Z: 21 12.117 1.720 0.391 0.665 0.900 0.650 CB 1.080 Z: 16 16.130 1.723 0.464 0.891 1.000 0.800 CB 1.187 15 residues pruned to eliminate duplicates Z: 12 19.838 2.093 0.359 0.840 0.909 0.818 N 1.726 14 residues pruned to eliminate duplicates Z: 19 6.270 1.759 0.382 0.300 0.722 0.444 CB 1.052 11 residues pruned to eliminate duplicates Z: 11 7.476 1.666 0.381 0.511 0.900 0.600 CB 1.130 12 residues pruned to eliminate duplicates Z: 11 11.169 1.921 0.389 0.911 1.000 1.000 CB 0.938 10 residues pruned to eliminate duplicates Z: 8 9.922 1.725 0.674 0.768 0.857 0.714 CA 1.195 Z: 10 6.268 1.620 0.382 0.395 0.889 0.556 CB 1.172 Z: 10 12.432 1.767 0.301 0.882 1.000 0.778 CB 1.305 10 residues pruned to eliminate duplicates Z: 18 17.262 1.810 0.411 0.918 1.000 0.941 CB 1.156 18 residues pruned to eliminate duplicates Z: 11 12.594 1.733 0.346 0.922 1.000 0.800 CB 1.200 11 residues pruned to eliminate duplicates Z: 13 9.174 1.703 0.396 0.819 1.000 0.833 CB 0.845 11 residues pruned to eliminate duplicates Z: 6 5.033 1.753 0.463 0.666 0.800 0.800 CB 0.941 Z: 10 16.567 1.751 0.786 0.823 1.000 0.889 CB 1.335 10 residues pruned to eliminate duplicates Z: 16 23.041 1.720 0.922 0.853 1.000 0.800 CB 1.330 16 residues pruned to eliminate duplicates Z: 15 15.083 1.766 0.486 0.842 1.000 0.714 CB 1.145 15 residues pruned to eliminate duplicates Z: 10 8.719 1.723 0.263 0.426 1.000 0.444 CB 1.442 Z: 17 20.900 1.878 0.834 0.864 0.938 0.812 CB 1.186 17 residues pruned to eliminate duplicates Z: 17 7.703 1.618 0.414 0.383 0.875 0.500 CB 1.089 18 residues pruned to eliminate duplicates Z: 15 22.592 1.915 0.994 0.912 1.000 0.500 CB 1.120 15 residues pruned to eliminate duplicates Z: 16 14.961 1.806 0.192 0.901 1.000 0.933 CB 1.281 16 residues pruned to eliminate duplicates Z: 7 9.018 1.745 0.333 0.633 1.000 0.667 CB 1.398 Z: 6 8.828 1.921 0.599 0.723 1.000 0.400 CB 1.051 Z: 11 8.198 1.781 0.068 0.546 0.900 0.700 CB 1.448 7 residues pruned to eliminate duplicates Z: 8 13.340 1.822 0.929 0.742 0.857 0.857 CB 1.347 6 1.355 2.117 0.645 0.854 1.000 1.000 CB 0.129 ? Z: 12 7.468 1.913 0.275 0.853 1.000 0.909 CB 0.683 Z: 22 7.690 1.756 0.374 0.261 0.762 0.381 CB 1.200 14 residues pruned to eliminate duplicates Z: 32 19.912 1.784 0.574 0.683 0.903 0.710 CB 1.192 22 residues pruned to eliminate duplicates Z: 11 5.622 1.627 0.403 0.393 0.800 0.500 CB 1.089 Z: 7 11.459 1.747 0.614 0.709 1.000 0.833 N 1.372 7 residues pruned to eliminate duplicates Z: 6 4.886 1.983 -0.237 0.602 1.000 1.000 CB 1.310 Z: 15 7.147 1.657 0.380 0.444 0.786 0.571 CB 1.127 11 residues pruned to eliminate duplicates Z: 15 18.574 1.810 0.534 0.841 0.929 0.857 CB 1.435 15 residues pruned to eliminate duplicates Z: 16 21.641 1.966 0.683 0.894 0.933 0.867 CB 1.298 16 residues pruned to eliminate duplicates Z: 13 13.342 1.918 0.380 0.868 1.000 0.750 CB 1.063 13 residues pruned to eliminate duplicates Z: 15 23.822 1.892 0.720 0.893 1.000 0.929 CB 1.404 14 residues pruned to eliminate duplicates Z: 7 2.499 1.840 0.431 0.824 1.000 0.833 CB 0.293 Z: 17 12.358 1.916 0.370 0.665 0.812 0.625 CB 1.243 17 residues pruned to eliminate duplicates Z: 7 3.279 1.706 0.544 0.216 0.667 0.500 CB 1.064 Z: 9 13.897 1.928 0.435 0.777 1.000 0.625 CB 1.391 9 residues pruned to eliminate duplicates Z: 6 3.507 1.826 -0.161 0.490 0.800 0.400 CB 1.293 Z: 13 15.005 1.676 0.474 0.880 0.917 0.750 O 1.386 13 residues pruned to eliminate duplicates Z: 6 5.690 1.704 0.692 0.662 0.800 0.600 CB 0.949 Z: 12 11.382 1.888 0.301 0.901 1.000 0.818 CB 0.998 12 residues pruned to eliminate duplicates Z: 23 10.861 1.867 0.477 0.413 0.909 0.500 CB 1.012 11 residues pruned to eliminate duplicates Z: 7 5.373 1.609 0.393 0.624 0.833 0.667 CB 1.045 Z: 20 16.793 1.775 0.644 0.841 0.947 0.632 CB 1.039 20 residues pruned to eliminate duplicates Z: 17 17.227 1.917 0.327 0.916 1.000 0.875 CB 1.195 17 residues pruned to eliminate duplicates Z: 6 12.258 1.956 0.765 0.800 0.800 0.800 N 1.527 6 residues pruned to eliminate duplicates Z: 11 11.215 2.089 0.147 0.760 1.000 0.700 CB 1.174 11 residues pruned to eliminate duplicates Z: 6 8.428 1.733 0.399 0.748 0.800 0.600 O 1.557 6 residues pruned to eliminate duplicates Z: 22 11.516 1.848 0.383 0.507 0.857 0.286 CB 1.138 22 residues pruned to eliminate duplicates Z: 6 4.076 1.694 0.694 0.298 0.800 0.400 CB 0.995 Z: 14 21.386 2.017 0.386 0.801 1.000 0.923 CB 1.631 14 residues pruned to eliminate duplicates Z: 17 16.600 1.907 0.464 0.821 0.938 0.688 CB 1.200 17 residues pruned to eliminate duplicates Z: 9 5.582 1.987 0.389 0.894 1.000 0.875 CB 0.513 7 residues pruned to eliminate duplicates Z: 7 4.143 1.346 0.243 0.791 1.000 1.000 CB 0.783 5 residues pruned to eliminate duplicates Z: 17 7.136 1.683 0.582 0.392 0.688 0.438 CB 1.093 6 residues pruned to eliminate duplicates Z: 15 27.463 1.871 0.964 0.874 1.000 0.714 N 1.453 16 residues pruned to eliminate duplicates Z: 8 3.412 1.534 0.514 0.475 0.714 0.286 N 0.797 Z: 17 19.813 1.856 0.765 0.853 1.000 0.938 CB 1.118 17 residues pruned to eliminate duplicates Z: 9 5.375 1.892 0.102 0.886 1.000 0.625 CB 0.657 8 residues pruned to eliminate duplicates Z: 16 20.711 1.914 0.870 0.853 0.867 0.467 CB 1.274 16 residues pruned to eliminate duplicates Z: 10 6.333 1.912 0.115 0.566 1.000 0.889 CB 0.929 10 residues pruned to eliminate duplicates Z: 17 17.619 1.844 0.509 0.863 1.000 0.812 CB 1.161 17 residues pruned to eliminate duplicates Z: 11 6.300 1.770 0.267 0.390 0.800 0.500 CB 1.247 11 residues pruned to eliminate duplicates Z: 7 4.845 1.682 0.544 0.432 0.667 0.500 CB 1.226 7 residues pruned to eliminate duplicates Z: 14 20.514 1.820 0.695 0.906 1.000 0.846 CB 1.311 14 residues pruned to eliminate duplicates Z: 6 2.361 1.705 0.186 0.530 0.600 0.400 CB 0.845 Z: 18 18.188 1.887 0.640 0.860 0.882 0.765 CB 1.188 18 residues pruned to eliminate duplicates Z: 10 8.540 1.818 0.053 0.464 1.000 0.444 O 1.543 10 residues pruned to eliminate duplicates Z: 6 6.965 1.729 0.686 0.817 0.800 0.800 CB 1.014 6 1.388 1.439 0.435 0.477 0.800 0.600 CB 0.385 ? Z: 7 4.217 1.817 0.805 0.392 0.500 0.333 N 1.176 6 residues pruned to eliminate duplicates Z: 17 14.585 1.788 0.543 0.795 0.938 0.625 CB 1.088 11 residues pruned to eliminate duplicates Z: 13 11.333 1.819 0.466 0.545 0.917 0.583 CB 1.281 8 residues pruned to eliminate duplicates Z: 11 9.267 1.804 0.447 0.552 0.900 0.800 CB 1.185 13 residues pruned to eliminate duplicates Z: 12 6.921 1.690 0.617 0.476 0.818 0.636 CB 0.956 12 residues pruned to eliminate duplicates Z: 6 5.799 1.741 0.430 0.632 0.800 0.800 CB 1.150 6 residues pruned to eliminate duplicates Z: 6 2.707 1.601 0.497 0.404 0.600 0.400 CB 0.931 Z: 15 14.571 1.718 0.354 0.880 1.000 0.714 CB 1.213 21 residues pruned to eliminate duplicates Z: 6 4.447 1.505 0.656 0.562 0.800 0.600 CB 0.939 Z: 17 21.783 1.932 0.474 0.877 1.000 0.812 CB 1.388 17 residues pruned to eliminate duplicates Z: 10 4.983 1.665 0.567 0.283 0.778 0.667 CB 1.046 Z: 12 7.195 1.472 0.772 0.470 0.909 0.636 CB 0.943 10 residues pruned to eliminate duplicates Z: 18 14.011 1.564 0.621 0.824 1.000 0.882 CB 1.013 18 residues pruned to eliminate duplicates Z: 6 3.339 1.943 0.349 0.800 1.000 1.000 CB 0.438 Z: 14 19.049 2.027 0.280 0.936 1.000 1.000 CB 1.419 14 residues pruned to eliminate duplicates 6 1.039 1.363 0.687 0.287 0.600 0.400 CB 0.428 ? Z: 12 14.338 1.673 0.819 0.864 1.000 0.636 CB 1.042 10 residues pruned to eliminate duplicates Z: 8 4.287 1.596 0.417 0.266 0.714 0.571 CB 1.309 6 residues pruned to eliminate duplicates Z: 7 5.895 1.616 0.753 0.397 0.833 0.333 CB 1.137 Z: 15 17.072 1.836 0.434 0.859 1.000 0.714 CB 1.276 15 residues pruned to eliminate duplicates Z: 6 13.095 1.975 1.256 0.864 1.000 0.800 CB 0.964 Z: 16 16.332 1.745 0.580 0.842 0.933 0.667 CB 1.220 16 residues pruned to eliminate duplicates Z: 21 8.929 1.773 0.294 0.383 0.850 0.500 CB 1.159 6 residues pruned to eliminate duplicates Z: 6 12.146 1.758 0.597 0.837 1.000 0.800 CA 1.447 6 residues pruned to eliminate duplicates Z: 32 13.869 1.725 0.477 0.586 0.871 0.387 CB 1.034 27 residues pruned to eliminate duplicates Z: 8 4.291 1.896 0.236 0.431 0.571 0.429 N 1.301 8 residues pruned to eliminate duplicates Z: 16 7.388 1.665 0.668 0.383 0.733 0.267 CB 1.060 26 residues pruned to eliminate duplicates Z: 9 9.563 1.452 0.799 0.799 1.000 0.750 CB 0.997 5 residues pruned to eliminate duplicates Z: 6 8.503 1.504 0.596 0.876 1.000 1.000 O 1.152 6 residues pruned to eliminate duplicates Z: 15 13.961 1.739 0.697 0.845 0.857 0.643 CB 1.097 15 residues pruned to eliminate duplicates Z: 8 8.955 1.834 0.335 0.502 1.000 0.857 CB 1.380 8 residues pruned to eliminate duplicates Z: 6 3.968 1.880 0.439 0.893 1.000 1.000 CB 0.471 Z: 18 22.302 1.865 0.808 0.778 0.882 0.706 N 1.422 18 residues pruned to eliminate duplicates Z: 17 22.799 1.742 0.585 0.877 1.000 0.812 O 1.498 17 residues pruned to eliminate duplicates Z: 6 3.763 1.756 0.235 0.374 0.800 0.600 CB 1.110 Z: 6 7.390 1.792 0.164 0.599 1.000 0.600 O 1.441 5 residues pruned to eliminate duplicates Z: 14 5.727 1.633 0.453 0.273 0.769 0.462 CB 1.126 14 residues pruned to eliminate duplicates Z: 15 17.685 1.842 0.920 0.774 0.929 0.500 CB 1.130 17 residues pruned to eliminate duplicates Z: 9 9.456 1.773 0.860 0.428 0.875 0.750 N 1.249 13 residues pruned to eliminate duplicates Z: 9 7.748 1.965 0.124 0.789 1.000 0.500 CB 0.962 5 residues pruned to eliminate duplicates Z: 13 11.518 1.815 0.488 0.781 0.917 0.500 CB 1.049 13 residues pruned to eliminate duplicates Z: 11 10.069 1.973 0.190 0.897 1.000 0.800 CB 0.971 11 residues pruned to eliminate duplicates Z: 6 9.860 1.737 0.936 0.812 1.000 0.800 CB 1.000 6 residues pruned to eliminate duplicates Z: 6 4.185 1.789 0.274 0.535 0.600 0.600 CB 1.322 6 residues pruned to eliminate duplicates Z: 14 19.451 1.982 0.480 0.895 1.000 0.923 CB 1.319 14 residues pruned to eliminate duplicates Z: 8 10.613 1.625 0.584 0.801 1.000 0.714 N 1.198 7 residues pruned to eliminate duplicates Z: 12 8.327 1.722 0.184 0.842 0.909 0.727 CB 1.009 12 residues pruned to eliminate duplicates Z: 18 12.645 1.555 0.760 0.712 0.765 0.235 O 1.209 18 residues pruned to eliminate duplicates Z: 7 10.163 1.779 0.504 0.879 1.000 1.000 CB 1.125 7 residues pruned to eliminate duplicates Z: 16 22.629 1.825 0.614 0.893 1.000 0.933 O 1.423 17 residues pruned to eliminate duplicates 6 1.481 1.204 0.738 0.370 0.800 0.400 CB 0.455 ? Z: 18 11.783 1.827 0.448 0.359 0.882 0.588 CB 1.426 13 residues pruned to eliminate duplicates Z: 9 2.545 1.632 0.539 0.886 1.000 0.750 CB 0.259 Z: 19 18.907 2.016 0.723 0.657 0.944 0.833 CB 1.174 19 residues pruned to eliminate duplicates Z: 16 14.472 1.669 0.646 0.829 0.933 0.667 CB 1.096 16 residues pruned to eliminate duplicates Z: 10 6.971 1.802 1.035 0.418 0.889 0.556 CB 0.777 10 residues pruned to eliminate duplicates Z: 6 6.795 1.761 0.262 0.570 1.000 0.800 CB 1.278 Z: 16 23.806 1.962 0.796 0.887 1.000 0.867 CB 1.258 16 residues pruned to eliminate duplicates Z: 6 6.737 1.385 0.497 0.792 1.000 0.600 N 1.125 Z: 6 6.251 1.626 0.981 0.611 0.800 0.800 CB 0.976 6 residues pruned to eliminate duplicates Z: 15 12.541 1.613 0.388 0.864 1.000 0.786 CB 1.098 15 residues pruned to eliminate duplicates Z: 13 10.187 1.859 0.630 0.792 0.833 0.667 CB 0.902 13 residues pruned to eliminate duplicates Z: 8 11.120 1.656 0.722 0.756 0.857 0.857 N 1.369 Z: 16 18.067 1.814 0.955 0.903 1.000 0.667 CB 0.937 16 residues pruned to eliminate duplicates Z: 7 5.259 1.537 1.051 0.751 0.833 0.667 CB 0.653 Z: 13 6.753 1.654 0.964 0.428 0.750 0.500 CB 0.862 12 residues pruned to eliminate duplicates Z: 17 11.473 1.759 0.610 0.762 0.812 0.500 CB 0.988 17 residues pruned to eliminate duplicates Z: 6 7.110 1.886 0.391 0.869 1.000 1.000 CB 0.886 5 residues pruned to eliminate duplicates Z: 7 4.245 1.766 0.676 0.435 0.833 0.167 CB 0.751 7 residues pruned to eliminate duplicates Z: 14 16.651 1.791 0.541 0.836 1.000 0.846 CB 1.252 14 residues pruned to eliminate duplicates Z: 16 5.688 1.759 0.484 0.289 0.733 0.333 CB 0.973 16 residues pruned to eliminate duplicates Z: 7 10.435 1.827 0.622 0.756 1.000 0.833 CB 1.145 7 residues pruned to eliminate duplicates Z: 12 12.961 1.901 0.199 0.869 1.000 0.909 CB 1.253 12 residues pruned to eliminate duplicates Z: 6 5.118 1.462 0.528 0.723 0.800 0.600 N 1.047 6 residues pruned to eliminate duplicates Z: 27 11.742 1.863 0.355 0.404 0.885 0.500 CB 1.141 27 residues pruned to eliminate duplicates Z: 10 9.781 1.749 0.625 0.852 0.889 0.889 CB 0.955 10 residues pruned to eliminate duplicates Z: 15 13.655 1.619 0.646 0.858 1.000 0.857 CB 1.008 14 residues pruned to eliminate duplicates Z: 8 6.650 1.360 1.244 0.359 1.000 0.714 CB 0.959 Z: 6 5.157 1.680 0.919 0.463 0.800 0.600 CB 0.928 Z: 9 4.772 1.593 0.303 0.385 0.750 0.500 N 1.224 Z: 19 12.300 1.713 0.414 0.760 0.944 0.611 CB 1.005 19 residues pruned to eliminate duplicates Z: 6 3.046 1.504 0.270 0.274 0.800 0.600 CB 1.152 Z: 15 10.283 1.663 0.355 0.789 0.929 0.714 CB 1.019 15 residues pruned to eliminate duplicates Z: 9 3.806 1.686 0.558 0.883 1.000 0.875 CB 0.370 9 residues pruned to eliminate duplicates Z: 6 2.617 1.770 -0.063 0.706 1.000 0.800 CB 0.585 6 residues pruned to eliminate duplicates Z: 6 3.703 1.638 0.198 0.396 0.800 0.600 CB 1.178 Z: 16 16.357 1.892 0.530 0.813 1.000 0.867 CB 1.111 16 residues pruned to eliminate duplicates Z: 17 19.951 1.819 0.763 0.861 0.938 0.562 CB 1.219 17 residues pruned to eliminate duplicates Z: 17 14.358 1.856 0.561 0.771 0.812 0.625 CB 1.200 17 residues pruned to eliminate duplicates Z: 28 13.141 1.724 0.465 0.443 0.889 0.667 CB 1.194 31 residues pruned to eliminate duplicates Z: 12 6.648 1.703 0.662 0.412 0.818 0.727 CB 0.950 12 residues pruned to eliminate duplicates Z: 19 9.028 1.637 0.530 0.576 0.833 0.444 CB 0.947 24 residues pruned to eliminate duplicates Z: 6 4.285 1.458 0.544 0.744 1.000 0.600 O 0.684 Z: 9 2.168 1.385 0.408 0.321 0.750 0.500 CB 0.638 Z: 7 8.726 1.716 0.558 0.652 0.833 0.667 O 1.388 12 residues pruned to eliminate duplicates Z: 7 3.227 1.736 0.238 0.554 0.833 0.333 CB 0.698 7 residues pruned to eliminate duplicates Z: 12 6.396 1.732 0.498 0.322 0.727 0.545 CB 1.242 12 residues pruned to eliminate duplicates Z: 11 2.704 1.240 0.515 0.453 0.500 0.400 CB 0.955 Z: 6 6.692 1.666 0.116 0.708 1.000 0.800 CB 1.332 Z: 6 4.470 1.740 0.616 0.303 0.800 0.600 N 1.107 6 residues pruned to eliminate duplicates Z: 6 8.691 1.846 0.467 0.701 1.000 0.600 CB 1.195 8 1.968 1.408 0.490 0.214 0.714 0.286 O 0.695 ? 6 0.753 1.696 0.281 0.682 0.800 0.600 CB 0.164 ? Z: 21 9.538 1.721 0.462 0.372 0.850 0.500 N 1.143 17 residues pruned to eliminate duplicates Z: 20 19.110 1.709 0.757 0.860 0.895 0.737 CB 1.200 20 residues pruned to eliminate duplicates Z: 8 4.719 1.440 0.186 0.507 0.857 0.714 N 1.211 Z: 9 5.312 1.582 0.406 0.407 0.875 0.625 CB 1.064 Z: 10 4.549 1.805 0.240 0.665 0.778 0.667 CB 0.748 13 residues pruned to eliminate duplicates Z: 11 6.729 1.464 0.857 0.496 0.900 0.600 N 0.873 Z: 9 5.569 1.701 0.808 0.410 0.750 0.625 CB 0.939 17 residues pruned to eliminate duplicates Z: 7 3.070 1.514 0.975 0.293 0.667 0.333 CB 0.792 Z: 7 3.935 1.703 0.385 0.204 0.833 0.500 CB 1.161 10 residues pruned to eliminate duplicates Z: 8 7.692 1.642 0.621 0.579 0.857 0.714 CB 1.181 8 residues pruned to eliminate duplicates 7 1.450 1.576 0.351 0.257 0.667 0.333 CB 0.551 ? Z: 13 8.577 1.801 0.322 0.569 0.917 0.667 CB 1.061 13 residues pruned to eliminate duplicates Z: 6 4.420 1.626 0.221 0.490 0.800 0.600 CB 1.257 6 residues pruned to eliminate duplicates Z: 7 4.807 1.487 0.427 0.603 1.000 0.667 CB 0.838 Z: 8 6.570 1.366 0.864 0.584 0.857 0.429 CB 1.050 Z: 8 5.671 1.570 0.679 0.285 0.857 0.429 N 1.209 Z: 6 2.783 1.282 0.651 0.549 0.600 0.600 CB 0.935 Z: 9 2.604 1.500 0.222 0.248 0.750 0.625 CB 0.895 Z: 11 9.150 1.657 0.384 0.539 1.000 0.800 CB 1.214 26 residues pruned to eliminate duplicates Z: 15 15.115 1.694 0.422 0.895 1.000 0.857 CB 1.202 15 residues pruned to eliminate duplicates Z: 16 10.627 1.729 0.660 0.554 0.867 0.733 CB 1.046 16 residues pruned to eliminate duplicates Z: 9 5.772 1.293 0.908 0.743 0.750 0.625 N 0.887 Z: 7 5.212 1.837 0.602 0.804 1.000 0.500 CB 0.554 7 residues pruned to eliminate duplicates Z: 7 4.769 1.824 0.485 0.798 1.000 1.000 CB 0.554 Z: 12 5.887 1.645 0.614 0.310 0.727 0.182 CB 1.135 12 residues pruned to eliminate duplicates Z: 6 4.463 1.470 0.652 0.439 0.800 0.400 CA 1.094 Z: 7 2.094 1.538 0.133 0.275 1.000 0.500 CB 0.633 Z: 16 12.306 1.773 0.813 0.897 0.800 0.733 CB 0.885 16 residues pruned to eliminate duplicates Z: 14 13.711 1.723 0.592 0.894 1.000 0.769 CB 0.995 14 residues pruned to eliminate duplicates Z: 10 6.105 1.373 0.592 0.759 0.889 0.667 CB 0.832 9 residues pruned to eliminate duplicates Z: 14 6.825 1.632 0.300 0.451 0.769 0.538 N 1.220 14 residues pruned to eliminate duplicates 7 1.733 1.394 0.713 0.367 0.500 0.500 CB 0.683 ? Z: 12 8.588 1.338 0.625 0.888 1.000 0.818 CB 0.858 10 residues pruned to eliminate duplicates Z: 8 14.249 1.995 0.522 0.830 1.000 0.857 CB 1.333 8 residues pruned to eliminate duplicates Z: 6 2.134 1.599 0.470 0.477 0.600 0.400 CB 0.692 Z: 14 10.072 1.702 0.397 0.430 1.000 0.538 CB 1.263 10 residues pruned to eliminate duplicates Z: 23 15.254 1.795 0.625 0.711 0.864 0.636 CB 1.066 23 residues pruned to eliminate duplicates Z: 7 7.383 1.814 0.267 0.857 1.000 0.833 CB 0.966 7 residues pruned to eliminate duplicates Z: 17 8.910 1.761 0.729 0.441 0.812 0.500 CB 0.957 21 residues pruned to eliminate duplicates Z: 8 4.628 1.557 0.446 0.309 0.857 0.571 CB 1.120 6 residues pruned to eliminate duplicates Z: 8 2.478 1.401 0.470 0.265 0.857 0.286 CB 0.693 Z: 6 7.599 1.652 0.833 0.659 0.800 0.400 CB 1.211 12 residues pruned to eliminate duplicates Z: 8 2.521 1.606 0.530 0.353 0.429 0.286 N 1.061 Z: 7 4.909 1.447 0.508 0.376 1.000 0.667 CB 1.049 7 residues pruned to eliminate duplicates Z: 7 4.620 1.709 0.234 0.666 0.833 0.667 CB 0.921 6 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 12 10.140 1.788 0.837 0.407 0.727 0.364 O 1.411 33 residues pruned to eliminate duplicates Z: 6 2.311 1.218 0.509 0.456 1.000 0.800 CA 0.588 6 residues pruned to eliminate duplicates Z: 8 10.857 1.792 0.903 0.570 0.857 0.714 N 1.313 8 residues pruned to eliminate duplicates Z: 9 7.569 1.687 1.021 0.445 0.750 0.500 N 1.107 9 residues pruned to eliminate duplicates Z: 12 10.008 1.732 0.860 0.457 0.818 0.545 CB 1.196 12 residues pruned to eliminate duplicates Z: 9 12.687 1.931 1.041 0.443 1.000 0.625 CB 1.207 11 residues pruned to eliminate duplicates Z: 6 3.749 1.301 0.666 0.239 1.000 0.000 N 1.047 4 residues pruned to eliminate duplicates Z: 7 8.918 1.672 0.636 0.706 0.833 0.833 CA 1.323 7 residues pruned to eliminate duplicates Z: 9 14.077 1.750 0.589 0.650 1.000 0.625 O 1.556 7 residues pruned to eliminate duplicates Z: 7 14.870 1.893 0.423 0.888 1.000 1.000 CA 1.623 7 residues pruned to eliminate duplicates Z: 7 9.638 1.750 0.627 0.708 0.833 0.667 CA 1.372 7 residues pruned to eliminate duplicates Z: 7 7.365 1.815 0.269 0.633 0.833 0.667 CB 1.382 7 residues pruned to eliminate duplicates Z: 8 8.579 1.692 0.188 0.748 1.000 0.857 CB 1.292 21 residues pruned to eliminate duplicates Z: 8 6.905 1.648 0.305 0.744 0.857 0.571 CB 1.138 8 residues pruned to eliminate duplicates Z: 8 10.250 1.686 0.402 0.684 1.000 0.714 CB 1.384 8 residues pruned to eliminate duplicates Z: 8 9.903 1.703 0.553 0.717 1.000 0.714 CB 1.163 8 residues pruned to eliminate duplicates Z: 10 6.976 1.776 0.221 0.351 0.889 0.444 CB 1.416 10 residues pruned to eliminate duplicates Z: 14 9.498 1.726 0.270 0.382 1.000 0.538 N 1.363 15 residues pruned to eliminate duplicates Z: 8 7.759 1.624 0.819 0.610 0.714 0.571 CB 1.252 Z: 8 7.707 1.657 0.920 0.410 0.714 0.571 CB 1.409 8 residues pruned to eliminate duplicates Z: 13 6.629 1.708 0.371 0.261 0.833 0.167 CB 1.289 11 residues pruned to eliminate duplicates Z: 8 12.836 1.740 1.164 0.768 0.857 0.714 CA 1.186 Z: 8 12.522 1.653 0.756 0.847 1.000 0.714 CB 1.211 16 residues pruned to eliminate duplicates Z: 10 10.081 1.783 0.820 0.578 1.000 0.556 CB 0.960 Z: 8 9.354 1.650 0.769 0.801 0.857 0.714 N 1.086 9 residues pruned to eliminate duplicates Z: 9 9.701 1.558 0.864 0.815 0.875 0.750 N 1.026 18 residues pruned to eliminate duplicates Z: 8 2.613 1.505 0.292 0.185 0.857 0.571 CB 0.865 9 residues pruned to eliminate duplicates Z: 7 10.063 1.809 0.900 0.561 1.000 0.500 CB 1.126 7 residues pruned to eliminate duplicates Z: 10 9.052 1.741 0.823 0.408 0.778 0.556 CB 1.347 10 residues pruned to eliminate duplicates Z: 25 12.514 1.689 0.793 0.295 0.833 0.417 CB 1.274 19 residues pruned to eliminate duplicates Z: 8 8.542 1.561 0.744 0.584 0.857 0.429 CA 1.276 8 residues pruned to eliminate duplicates Z: 7 2.588 1.582 0.425 0.512 0.500 0.167 CB 0.926 Z: 6 3.841 1.604 0.530 0.631 0.600 0.200 CB 1.031 13 residues pruned to eliminate duplicates Z: 25 7.937 1.712 0.521 0.259 0.792 0.375 CB 1.035 25 residues pruned to eliminate duplicates Z: 12 13.399 1.720 0.762 0.660 1.000 0.455 CB 1.149 12 residues pruned to eliminate duplicates Z: 12 11.721 1.946 0.700 0.662 0.818 0.455 CB 1.123 12 residues pruned to eliminate duplicates Z: 36 17.779 1.849 0.561 0.555 0.886 0.514 CB 1.114 42 residues pruned to eliminate duplicates Z: 18 15.507 1.830 0.476 0.761 1.000 0.588 CB 1.104 24 residues pruned to eliminate duplicates Z: 23 12.851 1.850 0.586 0.554 0.864 0.455 CB 1.025 23 residues pruned to eliminate duplicates Z: 17 13.445 1.792 0.757 0.574 0.875 0.375 CB 1.136 17 residues pruned to eliminate duplicates Z: 13 13.611 1.974 0.697 0.691 1.000 0.500 CB 0.985 13 residues pruned to eliminate duplicates Z: 19 13.118 1.901 0.650 0.595 0.833 0.556 CB 1.080 19 residues pruned to eliminate duplicates Z: 19 12.461 1.872 0.479 0.595 0.833 0.667 CB 1.162 19 residues pruned to eliminate duplicates Z: 8 2.875 1.706 0.445 0.488 0.571 0.286 CB 0.781 8 residues pruned to eliminate duplicates Z: 19 11.667 1.798 0.284 0.630 0.944 0.611 CB 1.116 19 residues pruned to eliminate duplicates Z: 17 7.947 1.718 0.533 0.532 0.875 0.625 CB 0.836 17 residues pruned to eliminate duplicates Z: 31 17.771 1.857 0.301 0.603 0.967 0.667 CB 1.259 31 residues pruned to eliminate duplicates Z: 15 9.472 1.740 0.462 0.397 0.929 0.571 CB 1.195 15 residues pruned to eliminate duplicates Z: 16 9.315 1.722 0.602 0.532 0.867 0.600 CB 0.974 20 residues pruned to eliminate duplicates Z: 6 3.038 1.230 1.004 0.324 0.800 0.400 O 0.836 6 residues pruned to eliminate duplicates Z: 27 20.024 1.883 0.612 0.681 0.962 0.692 CB 1.140 27 residues pruned to eliminate duplicates Z: 9 10.670 1.778 0.681 0.648 1.000 0.875 CB 1.099 9 residues pruned to eliminate duplicates Z: 16 12.797 1.768 0.709 0.556 0.933 0.600 CB 1.109 16 residues pruned to eliminate duplicates Z: 20 12.285 1.777 0.610 0.559 0.895 0.737 CB 1.040 20 residues pruned to eliminate duplicates Z: 13 12.335 1.696 0.814 0.553 1.000 0.833 CB 1.100 13 residues pruned to eliminate duplicates Z: 8 11.289 1.977 0.294 0.711 0.857 0.714 CB 1.607 8 residues pruned to eliminate duplicates Z: 13 8.392 1.700 0.387 0.559 0.750 0.500 N 1.294 13 residues pruned to eliminate duplicates Z: 12 9.944 1.790 0.314 0.603 0.818 0.636 CB 1.413 12 residues pruned to eliminate duplicates Z: 11 9.653 1.838 0.220 0.624 0.900 0.600 CB 1.346 11 residues pruned to eliminate duplicates Z: 9 14.305 2.047 0.340 0.758 1.000 0.750 CB 1.466 15 residues pruned to eliminate duplicates Z: 8 11.959 2.041 0.381 0.861 0.857 0.857 CB 1.375 8 residues pruned to eliminate duplicates Z: 9 13.400 2.030 0.356 0.743 1.000 0.625 CB 1.384 9 residues pruned to eliminate duplicates Z: 9 14.598 1.992 0.403 0.764 1.000 1.000 CB 1.462 12 residues pruned to eliminate duplicates Z: 9 8.416 1.546 0.713 0.746 0.875 0.750 N 1.030 10 residues pruned to eliminate duplicates Z: 8 7.477 1.502 0.616 0.584 1.000 0.857 N 1.074 8 residues pruned to eliminate duplicates Z: 9 10.629 1.716 0.855 0.500 0.875 0.625 CB 1.349 9 residues pruned to eliminate duplicates Z: 8 9.098 1.510 0.921 0.840 1.000 0.714 N 0.885 8 residues pruned to eliminate duplicates Z: 10 11.166 1.647 1.013 0.487 1.000 0.667 N 1.137 10 residues pruned to eliminate duplicates Z: 7 9.235 1.584 0.938 0.816 1.000 0.667 N 0.933 7 residues pruned to eliminate duplicates Z: 19 25.161 1.965 0.680 0.798 0.944 0.833 CB 1.465 19 residues pruned to eliminate duplicates Z: 25 19.253 1.836 0.501 0.640 0.917 0.708 CB 1.364 25 residues pruned to eliminate duplicates Z: 18 21.045 2.027 0.414 0.813 0.941 0.882 CB 1.441 18 residues pruned to eliminate duplicates Z: 18 25.981 2.037 0.608 0.832 0.941 0.647 CB 1.535 18 residues pruned to eliminate duplicates Z: 18 15.953 1.872 0.676 0.653 0.882 0.353 CB 1.212 18 residues pruned to eliminate duplicates Z: 20 22.385 1.997 0.538 0.743 0.895 0.684 CB 1.502 20 residues pruned to eliminate duplicates Z: 18 24.865 1.991 0.743 0.805 0.882 0.882 CB 1.510 18 residues pruned to eliminate duplicates Z: 18 22.880 2.011 0.884 0.800 0.824 0.824 CB 1.368 18 residues pruned to eliminate duplicates Z: 17 24.300 2.005 0.716 0.837 0.938 0.812 CB 1.409 17 residues pruned to eliminate duplicates Z: 18 23.174 2.049 0.583 0.845 0.882 0.706 CB 1.460 18 residues pruned to eliminate duplicates Z: 23 19.306 1.908 0.588 0.666 0.864 0.682 CB 1.349 23 residues pruned to eliminate duplicates Z: 17 27.248 2.062 0.794 0.854 0.875 0.750 N 1.554 17 residues pruned to eliminate duplicates Z: 17 30.522 2.042 0.976 0.825 0.938 0.562 CB 1.522 17 residues pruned to eliminate duplicates Z: 18 25.512 1.981 0.800 0.849 0.941 0.706 N 1.367 18 residues pruned to eliminate duplicates Z: 18 27.920 2.060 0.681 0.848 0.941 0.824 N 1.541 18 residues pruned to eliminate duplicates Z: 20 21.930 1.929 0.622 0.817 0.895 0.789 CB 1.365 20 residues pruned to eliminate duplicates Z: 9 7.996 1.874 0.429 0.733 0.875 0.875 CB 0.979 9 residues pruned to eliminate duplicates Z: 15 6.478 1.637 0.393 0.464 0.929 0.643 CB 0.849 15 residues pruned to eliminate duplicates Z: 11 10.297 1.785 0.393 0.581 1.000 0.900 CB 1.212 11 residues pruned to eliminate duplicates Z: 11 8.786 1.783 0.340 0.547 1.000 0.700 CB 1.110 11 residues pruned to eliminate duplicates Z: 12 8.195 1.716 0.470 0.532 0.909 0.818 CB 1.045 12 residues pruned to eliminate duplicates Z: 20 8.076 1.588 0.465 0.390 0.895 0.526 CB 1.000 20 residues pruned to eliminate duplicates Z: 13 4.234 1.499 0.729 0.301 0.667 0.333 CB 0.883 13 residues pruned to eliminate duplicates Z: 11 7.792 1.785 0.614 0.335 0.800 0.400 CB 1.280 12 residues pruned to eliminate duplicates Z: 13 13.809 1.890 0.612 0.757 1.000 0.667 CB 1.042 12 residues pruned to eliminate duplicates Z: 13 11.650 1.917 0.422 0.739 0.917 0.417 CB 1.086 13 residues pruned to eliminate duplicates Z: 16 12.185 1.978 0.548 0.517 0.867 0.600 CB 1.166 16 residues pruned to eliminate duplicates Z: 14 8.814 1.871 0.685 0.525 0.846 0.538 CB 0.894 14 residues pruned to eliminate duplicates Z: 11 10.918 1.954 0.526 0.590 0.900 0.400 CB 1.181 11 residues pruned to eliminate duplicates Z: 6 6.583 2.133 0.212 0.657 0.600 0.600 N 1.640 6 residues pruned to eliminate duplicates Z: 18 12.221 1.866 0.559 0.521 0.765 0.412 CB 1.304 18 residues pruned to eliminate duplicates Z: 14 13.963 1.998 0.485 0.663 0.846 0.615 CB 1.326 14 residues pruned to eliminate duplicates Z: 15 11.553 1.992 0.752 0.637 0.786 0.571 CB 0.991 15 residues pruned to eliminate duplicates Z: 13 10.082 1.924 0.612 0.684 0.833 0.667 CB 0.951 13 residues pruned to eliminate duplicates Z: 18 13.399 1.933 0.576 0.692 0.882 0.706 CB 1.014 18 residues pruned to eliminate duplicates Z: 18 20.319 2.001 0.754 0.651 0.882 0.588 CB 1.382 16 residues pruned to eliminate duplicates Z: 17 20.559 1.962 0.713 0.794 0.938 0.625 CB 1.260 17 residues pruned to eliminate duplicates Z: 18 14.760 1.964 0.791 0.571 0.824 0.294 CB 1.154 17 residues pruned to eliminate duplicates Z: 6 9.027 1.878 0.789 0.509 1.000 0.400 CB 1.192 8 residues pruned to eliminate duplicates Z: 11 11.912 1.858 0.411 0.674 1.000 0.800 CB 1.224 11 residues pruned to eliminate duplicates Z: 13 11.380 1.932 0.446 0.543 0.917 0.750 CB 1.230 13 residues pruned to eliminate duplicates Z: 21 9.180 1.947 0.317 0.377 0.850 0.600 CB 1.074 21 residues pruned to eliminate duplicates Z: 10 13.178 1.748 0.350 0.810 1.000 0.556 N 1.420 10 residues pruned to eliminate duplicates Z: 17 12.978 1.886 0.486 0.470 0.938 0.562 CB 1.273 17 residues pruned to eliminate duplicates Z: 18 17.770 1.935 0.598 0.645 0.882 0.529 CB 1.380 18 residues pruned to eliminate duplicates Z: 20 13.033 1.921 0.481 0.545 0.842 0.632 CB 1.194 20 residues pruned to eliminate duplicates Z: 19 15.559 1.923 0.685 0.572 1.000 0.833 CB 1.056 19 residues pruned to eliminate duplicates Z: 21 21.565 1.970 0.762 0.699 0.950 0.950 CB 1.220 21 residues pruned to eliminate duplicates Z: 16 21.164 1.887 0.748 0.896 1.000 0.867 CB 1.187 15 residues pruned to eliminate duplicates Z: 15 19.180 1.963 0.641 0.913 0.929 0.929 CB 1.212 15 residues pruned to eliminate duplicates Z: 25 17.770 2.007 0.642 0.548 0.917 0.792 CB 1.146 25 residues pruned to eliminate duplicates Z: 23 16.859 1.914 0.588 0.739 1.000 0.864 CB 0.955 23 residues pruned to eliminate duplicates Z: 20 19.596 1.977 0.689 0.681 0.947 0.684 CB 1.203 21 residues pruned to eliminate duplicates Z: 14 13.556 1.631 0.495 0.885 1.000 0.923 CB 1.114 12 residues pruned to eliminate duplicates Z: 17 15.700 1.599 0.571 0.851 0.938 0.688 CB 1.234 17 residues pruned to eliminate duplicates Z: 12 13.134 1.650 0.615 0.863 0.909 0.818 CB 1.199 12 residues pruned to eliminate duplicates Z: 10 8.292 1.639 0.422 0.591 0.889 0.556 N 1.223 10 residues pruned to eliminate duplicates Z: 11 9.229 1.536 0.827 0.539 0.900 0.600 N 1.112 11 residues pruned to eliminate duplicates Z: 12 14.305 1.780 0.502 0.803 1.000 0.909 CB 1.239 12 residues pruned to eliminate duplicates Z: 15 11.014 1.613 0.547 0.642 0.786 0.643 CB 1.315 15 residues pruned to eliminate duplicates Z: 11 12.993 1.836 0.287 0.849 1.000 0.800 CB 1.289 11 residues pruned to eliminate duplicates Z: 16 13.255 1.716 0.580 0.796 0.933 0.667 CB 1.043 16 residues pruned to eliminate duplicates Z: 15 13.473 1.740 0.634 0.804 0.929 0.714 CB 1.046 18 residues pruned to eliminate duplicates Z: 16 14.572 1.687 0.523 0.833 0.933 0.667 CB 1.177 16 residues pruned to eliminate duplicates Z: 7 2.509 1.495 1.028 0.702 0.500 0.500 N 0.562 7 residues pruned to eliminate duplicates Z: 16 8.394 1.729 0.525 0.463 0.800 0.400 CB 1.068 13 residues pruned to eliminate duplicates Z: 17 14.190 1.722 0.618 0.732 0.938 0.625 CB 1.102 16 residues pruned to eliminate duplicates Z: 7 4.246 1.527 0.401 0.328 0.833 0.667 N 1.175 7 residues pruned to eliminate duplicates Z: 23 12.366 1.791 0.493 0.423 0.864 0.591 CB 1.237 18 residues pruned to eliminate duplicates Z: 6 5.235 1.590 0.413 0.318 1.000 0.600 CB 1.274 5 residues pruned to eliminate duplicates Z: 16 17.590 1.876 0.333 0.731 1.000 0.867 CB 1.475 16 residues pruned to eliminate duplicates Z: 18 21.944 2.002 0.466 0.674 1.000 0.647 CB 1.544 19 residues pruned to eliminate duplicates Z: 14 19.880 1.919 0.382 0.857 1.000 0.846 CB 1.532 14 residues pruned to eliminate duplicates Z: 20 19.622 1.907 0.579 0.629 0.947 0.737 CB 1.398 20 residues pruned to eliminate duplicates Z: 18 21.562 1.992 0.583 0.733 0.882 0.765 CB 1.524 18 residues pruned to eliminate duplicates Z: 15 17.454 2.028 0.501 0.624 0.929 0.500 CB 1.468 15 residues pruned to eliminate duplicates Z: 23 15.895 1.847 0.377 0.575 0.909 0.727 CB 1.363 23 residues pruned to eliminate duplicates Z: 19 18.481 1.949 0.505 0.695 0.889 0.778 CB 1.398 19 residues pruned to eliminate duplicates Z: 18 21.576 1.934 0.495 0.687 1.000 0.765 CB 1.524 18 residues pruned to eliminate duplicates Z: 14 21.386 1.890 0.839 0.826 0.923 0.846 CB 1.394 14 residues pruned to eliminate duplicates Z: 19 18.785 1.941 0.493 0.636 0.944 0.833 CB 1.424 19 residues pruned to eliminate duplicates Z: 29 14.394 1.772 0.453 0.500 0.893 0.643 CB 1.183 29 residues pruned to eliminate duplicates Z: 27 12.298 1.743 0.263 0.531 0.846 0.538 CB 1.255 17 residues pruned to eliminate duplicates Z: 14 14.900 1.928 0.601 0.791 0.846 0.462 CB 1.226 14 residues pruned to eliminate duplicates Z: 14 5.105 1.549 0.489 0.423 0.846 0.077 CB 0.786 14 residues pruned to eliminate duplicates Z: 17 16.945 1.837 0.777 0.614 0.875 0.312 CB 1.331 15 residues pruned to eliminate duplicates Z: 17 13.831 1.759 0.492 0.853 0.938 0.812 CB 1.039 17 residues pruned to eliminate duplicates Z: 16 14.077 1.890 0.467 0.737 0.933 0.600 CB 1.136 16 residues pruned to eliminate duplicates Z: 13 12.728 1.848 0.605 0.738 0.917 0.417 CB 1.092 13 residues pruned to eliminate duplicates Z: 11 11.634 1.754 0.650 0.691 0.900 0.700 CB 1.186 11 residues pruned to eliminate duplicates Z: 10 12.916 1.970 0.597 0.673 0.889 0.778 CB 1.312 10 residues pruned to eliminate duplicates Z: 14 13.008 1.725 0.650 0.652 0.923 0.692 N 1.191 14 residues pruned to eliminate duplicates Z: 9 12.259 1.952 0.697 0.712 0.875 0.750 CB 1.234 9 residues pruned to eliminate duplicates Z: 17 9.079 1.811 0.537 0.513 0.875 0.500 CB 0.920 17 residues pruned to eliminate duplicates Z: 9 4.149 1.639 0.492 0.570 0.625 0.625 CB 0.897 9 residues pruned to eliminate duplicates Z: 24 23.343 1.901 0.787 0.634 0.957 0.739 CB 1.321 34 residues pruned to eliminate duplicates Z: 6 8.533 1.738 1.128 0.412 1.000 0.400 N 1.131 6 residues pruned to eliminate duplicates Z: 19 9.900 1.721 0.350 0.373 0.944 0.500 CB 1.218 15 residues pruned to eliminate duplicates Z: 18 30.131 1.963 0.759 0.783 1.000 0.706 CB 1.650 18 residues pruned to eliminate duplicates Z: 22 24.560 1.931 0.697 0.648 0.952 0.667 CB 1.496 22 residues pruned to eliminate duplicates Z: 27 21.193 1.840 0.648 0.630 1.000 0.654 CB 1.212 27 residues pruned to eliminate duplicates Z: 20 24.082 1.997 0.697 0.638 1.000 0.737 CB 1.433 20 residues pruned to eliminate duplicates Z: 17 18.748 1.958 0.701 0.535 0.938 0.562 CB 1.450 17 residues pruned to eliminate duplicates Z: 21 20.083 1.906 0.749 0.519 0.950 0.700 CB 1.392 21 residues pruned to eliminate duplicates Z: 20 17.432 1.908 0.783 0.472 0.895 0.526 CB 1.351 20 residues pruned to eliminate duplicates Z: 21 24.166 1.996 0.638 0.675 1.000 0.850 CB 1.407 21 residues pruned to eliminate duplicates Z: 21 28.069 1.993 0.909 0.670 1.000 0.700 CB 1.410 21 residues pruned to eliminate duplicates Z: 29 19.584 1.894 0.561 0.564 0.929 0.750 CB 1.267 29 residues pruned to eliminate duplicates Z: 27 20.546 1.912 0.628 0.541 0.885 0.654 CB 1.406 27 residues pruned to eliminate duplicates Z: 20 24.769 2.012 0.736 0.671 0.895 0.789 CB 1.552 20 residues pruned to eliminate duplicates Z: 22 26.791 1.989 0.667 0.684 1.000 0.762 CB 1.490 22 residues pruned to eliminate duplicates Z: 22 25.175 1.970 0.684 0.704 1.000 0.857 CB 1.376 22 residues pruned to eliminate duplicates Z: 13 4.855 1.688 0.133 0.218 0.833 0.583 CB 1.224 Z: 12 11.985 1.787 0.661 0.581 0.909 0.364 CB 1.238 12 residues pruned to eliminate duplicates Z: 13 14.231 2.045 0.636 0.652 0.833 0.500 CB 1.279 13 residues pruned to eliminate duplicates Z: 18 8.632 1.848 0.408 0.478 0.765 0.471 CB 1.076 18 residues pruned to eliminate duplicates Z: 17 9.876 1.776 0.579 0.550 0.812 0.688 CB 1.032 17 residues pruned to eliminate duplicates Z: 11 7.801 2.018 0.433 0.577 0.600 0.400 CB 1.320 11 residues pruned to eliminate duplicates Z: 19 15.083 1.930 0.733 0.575 0.889 0.667 CB 1.113 19 residues pruned to eliminate duplicates Z: 13 12.604 1.985 0.440 0.581 1.000 0.667 CB 1.178 13 residues pruned to eliminate duplicates Z: 15 14.420 1.943 0.634 0.586 1.000 0.286 CB 1.118 15 residues pruned to eliminate duplicates Z: 19 12.775 1.898 0.609 0.512 0.944 0.389 CB 1.032 19 residues pruned to eliminate duplicates Z: 14 12.100 1.976 0.626 0.581 0.769 0.615 CB 1.257 14 residues pruned to eliminate duplicates Z: 13 13.810 1.971 0.593 0.684 0.833 0.667 CB 1.287 13 residues pruned to eliminate duplicates Z: 15 16.589 1.899 0.790 0.607 0.929 0.429 CB 1.269 15 residues pruned to eliminate duplicates Z: 14 25.156 1.883 1.127 0.751 1.000 0.692 N 1.392 13 residues pruned to eliminate duplicates Z: 14 17.974 1.740 0.696 0.824 1.000 0.769 O 1.275 14 residues pruned to eliminate duplicates Z: 14 15.387 1.825 0.394 0.752 0.923 0.538 O 1.452 14 residues pruned to eliminate duplicates Z: 24 22.566 1.755 0.769 0.741 0.957 0.739 CB 1.277 25 residues pruned to eliminate duplicates Z: 19 18.317 1.742 0.553 0.807 0.889 0.556 CB 1.373 19 residues pruned to eliminate duplicates Z: 25 16.416 1.740 0.503 0.731 0.917 0.500 CB 1.135 25 residues pruned to eliminate duplicates Z: 21 17.699 1.723 0.667 0.758 0.950 0.600 CB 1.153 21 residues pruned to eliminate duplicates Z: 14 16.495 1.851 0.531 0.791 0.923 0.538 CB 1.355 14 residues pruned to eliminate duplicates Z: 13 20.098 1.873 0.800 0.810 0.917 0.583 N 1.433 13 residues pruned to eliminate duplicates Z: 10 11.949 1.734 0.670 0.577 0.889 0.444 CB 1.437 10 residues pruned to eliminate duplicates Z: 18 18.674 1.731 0.607 0.746 0.941 0.412 N 1.389 18 residues pruned to eliminate duplicates Z: 22 11.651 1.737 0.529 0.582 0.810 0.571 CB 1.093 22 residues pruned to eliminate duplicates Z: 17 11.486 1.894 0.307 0.588 0.875 0.812 CB 1.219 17 residues pruned to eliminate duplicates Z: 21 18.098 1.871 0.514 0.658 0.950 0.650 CB 1.299 21 residues pruned to eliminate duplicates Z: 20 21.313 1.907 0.555 0.688 0.947 0.737 CB 1.465 20 residues pruned to eliminate duplicates Z: 21 14.266 1.836 0.584 0.629 0.850 0.750 CB 1.143 21 residues pruned to eliminate duplicates Z: 24 16.316 1.841 0.562 0.594 0.913 0.783 CB 1.184 24 residues pruned to eliminate duplicates Z: 11 6.421 1.706 0.747 0.325 0.700 0.600 CB 1.179 11 residues pruned to eliminate duplicates Z: 7 9.333 1.900 0.758 0.530 0.833 0.833 CB 1.328 7 residues pruned to eliminate duplicates Z: 13 21.444 2.064 0.610 0.867 0.917 0.750 CB 1.486 13 residues pruned to eliminate duplicates Z: 14 19.901 1.993 0.629 0.877 0.923 0.846 CB 1.337 14 residues pruned to eliminate duplicates Z: 14 22.142 2.058 0.798 0.814 0.923 0.769 CB 1.369 14 residues pruned to eliminate duplicates Z: 14 17.300 2.002 0.761 0.776 0.846 0.615 CB 1.260 14 residues pruned to eliminate duplicates Z: 26 15.000 1.766 0.553 0.584 0.840 0.520 CB 1.201 26 residues pruned to eliminate duplicates Z: 14 25.148 1.965 0.975 0.819 0.923 0.385 CB 1.476 14 residues pruned to eliminate duplicates Z: 17 18.232 2.015 0.487 0.791 0.875 0.562 CB 1.347 17 residues pruned to eliminate duplicates Z: 18 18.474 1.919 0.792 0.738 0.824 0.529 CB 1.277 18 residues pruned to eliminate duplicates Z: 17 23.337 1.919 0.970 0.842 0.938 0.688 CB 1.227 17 residues pruned to eliminate duplicates Z: 16 18.554 1.926 0.749 0.897 1.000 0.533 CB 1.018 17 residues pruned to eliminate duplicates Z: 17 25.303 1.917 0.833 0.854 1.000 0.750 CB 1.330 16 residues pruned to eliminate duplicates Z: 18 20.430 1.898 0.654 0.787 0.941 0.765 CB 1.303 18 residues pruned to eliminate duplicates Z: 17 24.968 2.019 0.828 0.832 0.875 0.750 CB 1.452 17 residues pruned to eliminate duplicates Z: 14 13.340 1.806 0.738 0.622 0.923 0.538 CB 1.137 14 residues pruned to eliminate duplicates Z: 8 2.401 1.432 0.427 0.281 0.714 0.143 CB 0.796 8 residues pruned to eliminate duplicates Z: 12 12.327 1.972 0.656 0.414 0.818 0.455 CB 1.522 17 residues pruned to eliminate duplicates Z: 8 6.979 1.540 0.607 0.401 1.000 0.429 CB 1.183 8 residues pruned to eliminate duplicates Z: 19 9.781 1.867 0.540 0.245 0.833 0.444 CB 1.291 19 residues pruned to eliminate duplicates Z: 14 6.341 1.719 0.512 0.278 0.769 0.308 CB 1.130 14 residues pruned to eliminate duplicates Z: 16 9.479 1.887 0.523 0.366 0.800 0.533 CB 1.229 16 residues pruned to eliminate duplicates Z: 11 7.284 1.830 0.358 0.232 0.900 0.500 CB 1.408 11 residues pruned to eliminate duplicates Z: 24 8.239 1.755 0.410 0.226 0.783 0.435 CB 1.221 24 residues pruned to eliminate duplicates Z: 18 9.707 1.865 0.579 0.227 0.824 0.529 CB 1.335 18 residues pruned to eliminate duplicates Z: 25 10.990 1.848 0.286 0.322 0.833 0.500 CB 1.379 25 residues pruned to eliminate duplicates Z: 37 22.408 1.947 0.583 0.477 0.889 0.667 CB 1.396 44 residues pruned to eliminate duplicates Z: 10 4.375 1.579 0.615 0.349 0.778 0.556 CB 0.866 10 residues pruned to eliminate duplicates Z: 29 11.791 1.850 0.584 0.251 0.857 0.429 CB 1.182 29 residues pruned to eliminate duplicates Z: 27 10.572 1.794 0.420 0.307 0.808 0.538 CB 1.249 27 residues pruned to eliminate duplicates Z: 24 11.375 1.847 0.464 0.340 0.826 0.522 CB 1.265 24 residues pruned to eliminate duplicates Z: 20 15.187 1.865 0.402 0.494 0.947 0.684 CB 1.415 20 residues pruned to eliminate duplicates Z: 22 12.248 1.811 0.412 0.440 0.905 0.524 CB 1.229 22 residues pruned to eliminate duplicates Z: 38 22.086 1.930 0.492 0.474 0.919 0.622 CB 1.408 22 residues pruned to eliminate duplicates Z: 13 26.102 1.994 0.667 0.898 1.000 0.750 O 1.622 13 residues pruned to eliminate duplicates Z: 28 19.867 1.994 0.491 0.481 0.889 0.630 CB 1.475 28 residues pruned to eliminate duplicates Z: 37 22.840 1.965 0.596 0.512 0.861 0.611 CB 1.392 37 residues pruned to eliminate duplicates Z: 36 22.065 1.954 0.547 0.488 0.914 0.657 CB 1.366 36 residues pruned to eliminate duplicates Z: 25 23.851 1.988 0.690 0.528 0.917 0.667 CB 1.538 25 residues pruned to eliminate duplicates Z: 35 21.761 1.992 0.582 0.488 0.824 0.529 CB 1.456 35 residues pruned to eliminate duplicates Z: 31 22.095 1.933 0.588 0.465 0.933 0.733 CB 1.460 31 residues pruned to eliminate duplicates Z: 24 24.929 1.996 0.550 0.602 0.957 0.739 CB 1.594 24 residues pruned to eliminate duplicates Z: 38 21.715 1.955 0.479 0.501 0.865 0.541 CB 1.427 38 residues pruned to eliminate duplicates Z: 36 20.917 1.967 0.570 0.456 0.886 0.629 CB 1.352 36 residues pruned to eliminate duplicates Z: 26 21.308 1.979 0.615 0.541 0.840 0.720 CB 1.524 26 residues pruned to eliminate duplicates Z: 36 19.172 1.986 0.519 0.454 0.829 0.543 CB 1.359 36 residues pruned to eliminate duplicates Z: 7 9.290 1.959 0.393 0.536 1.000 0.500 N 1.342 7 residues pruned to eliminate duplicates Z: 9 4.644 1.861 0.213 0.340 0.875 0.625 CB 0.988 9 residues pruned to eliminate duplicates Z: 13 7.379 1.743 0.640 0.326 0.833 0.417 CB 1.082 13 residues pruned to eliminate duplicates Z: 12 7.012 1.872 0.295 0.307 0.909 0.364 CB 1.190 12 residues pruned to eliminate duplicates Z: 13 6.797 1.844 0.400 0.360 0.750 0.333 CB 1.179 13 residues pruned to eliminate duplicates Z: 19 7.196 1.782 0.439 0.354 0.833 0.500 CB 0.929 19 residues pruned to eliminate duplicates Z: 11 2.957 1.493 0.157 0.252 0.700 0.300 N 1.028 11 residues pruned to eliminate duplicates Z: 16 10.550 1.689 0.433 0.341 0.933 0.333 CB 1.433 16 residues pruned to eliminate duplicates Z: 6 3.168 1.685 0.631 0.364 0.600 0.000 CB 0.994 Z: 12 17.574 1.794 0.622 0.837 1.000 0.727 CB 1.362 12 residues pruned to eliminate duplicates Z: 13 17.801 1.884 0.664 0.830 1.000 0.917 CB 1.232 13 residues pruned to eliminate duplicates Z: 12 9.753 1.772 0.353 0.664 0.909 0.727 CB 1.160 11 residues pruned to eliminate duplicates Z: 18 17.158 1.814 0.393 0.923 1.000 0.882 CB 1.157 18 residues pruned to eliminate duplicates Z: 12 15.372 1.718 0.510 0.855 1.000 0.636 CB 1.318 12 residues pruned to eliminate duplicates Z: 9 5.566 1.712 0.509 0.657 0.750 0.375 CB 0.877 9 residues pruned to eliminate duplicates Z: 13 6.278 1.733 0.419 0.354 0.750 0.417 CB 1.150 13 residues pruned to eliminate duplicates Z: 25 14.835 1.869 0.395 0.585 0.917 0.625 CB 1.168 36 residues pruned to eliminate duplicates Z: 18 21.152 1.824 0.461 0.908 1.000 0.824 CB 1.367 18 residues pruned to eliminate duplicates Z: 15 16.587 1.935 0.494 0.751 0.929 0.857 CB 1.320 15 residues pruned to eliminate duplicates Z: 15 14.619 1.838 0.790 0.686 0.786 0.714 CB 1.274 15 residues pruned to eliminate duplicates Z: 23 14.076 1.814 0.682 0.532 0.864 0.545 CB 1.103 23 residues pruned to eliminate duplicates Z: 16 14.569 1.815 0.673 0.647 0.933 0.400 CB 1.158 16 residues pruned to eliminate duplicates Z: 10 10.242 1.833 0.507 0.678 0.889 0.556 CB 1.180 10 residues pruned to eliminate duplicates Z: 10 7.748 1.788 0.349 0.676 0.889 0.556 CB 1.023 10 residues pruned to eliminate duplicates Z: 20 11.703 1.814 0.619 0.562 0.789 0.211 CB 1.091 20 residues pruned to eliminate duplicates Z: 20 10.989 1.856 0.507 0.493 0.789 0.368 CB 1.150 20 residues pruned to eliminate duplicates Z: 24 12.403 1.858 0.453 0.489 0.783 0.348 CB 1.237 24 residues pruned to eliminate duplicates Z: 23 13.716 1.791 0.586 0.536 0.864 0.409 CB 1.151 23 residues pruned to eliminate duplicates Z: 20 12.432 1.834 0.505 0.534 0.789 0.474 CB 1.266 20 residues pruned to eliminate duplicates Z: 8 2.864 1.637 0.337 0.163 0.714 0.286 CB 1.044 8 residues pruned to eliminate duplicates Z: 9 7.203 1.871 0.665 0.399 0.750 0.250 CB 1.213 9 residues pruned to eliminate duplicates Z: 25 17.336 1.886 0.547 0.625 0.875 0.500 CB 1.232 25 residues pruned to eliminate duplicates Z: 34 18.558 1.731 0.617 0.570 0.939 0.545 CB 1.148 34 residues pruned to eliminate duplicates Z: 32 18.325 1.804 0.538 0.587 0.903 0.677 CB 1.208 32 residues pruned to eliminate duplicates Z: 30 17.912 1.825 0.729 0.582 0.862 0.621 CB 1.130 30 residues pruned to eliminate duplicates Z: 26 16.485 1.899 0.602 0.541 0.920 0.560 CB 1.131 26 residues pruned to eliminate duplicates Z: 18 11.511 1.835 0.685 0.521 0.882 0.647 CB 1.002 18 residues pruned to eliminate duplicates Z: 19 12.115 1.824 0.473 0.470 0.889 0.611 CB 1.233 19 residues pruned to eliminate duplicates Z: 27 10.854 1.819 0.536 0.461 0.769 0.462 CB 1.031 27 residues pruned to eliminate duplicates Z: 17 9.557 1.787 0.443 0.445 0.750 0.438 CB 1.308 35 residues pruned to eliminate duplicates Z: 19 13.605 1.770 0.602 0.537 0.944 0.333 CB 1.154 19 residues pruned to eliminate duplicates Z: 17 14.606 1.776 0.700 0.626 0.938 0.625 CB 1.145 17 residues pruned to eliminate duplicates Z: 20 10.698 1.705 0.434 0.499 0.842 0.474 CB 1.193 20 residues pruned to eliminate duplicates Z: 34 16.614 1.793 0.552 0.580 0.818 0.545 CB 1.176 34 residues pruned to eliminate duplicates Z: 19 8.222 1.736 0.469 0.343 0.722 0.556 CB 1.248 19 residues pruned to eliminate duplicates Z: 23 14.533 1.735 0.739 0.555 0.818 0.545 CB 1.190 23 residues pruned to eliminate duplicates Z: 19 12.125 1.716 0.498 0.464 0.833 0.611 N 1.384 19 residues pruned to eliminate duplicates Z: 28 15.318 1.776 0.539 0.419 0.815 0.556 CB 1.440 28 residues pruned to eliminate duplicates Z: 13 10.279 1.795 0.442 0.564 0.833 0.417 CB 1.293 13 residues pruned to eliminate duplicates Z: 26 18.143 1.774 0.770 0.620 0.920 0.480 CB 1.121 26 residues pruned to eliminate duplicates Z: 17 10.746 1.809 0.228 0.602 0.750 0.562 O 1.464 17 residues pruned to eliminate duplicates Z: 20 12.413 1.702 0.566 0.517 0.789 0.474 CB 1.330 20 residues pruned to eliminate duplicates Z: 33 20.130 1.835 0.505 0.559 0.875 0.688 CB 1.390 33 residues pruned to eliminate duplicates Z: 17 11.867 1.721 0.536 0.628 0.750 0.500 N 1.327 17 residues pruned to eliminate duplicates Z: 7 6.717 1.633 0.328 0.597 0.833 0.500 O 1.382 7 residues pruned to eliminate duplicates Z: 11 5.459 1.752 0.378 0.512 0.800 0.400 CB 0.883 11 residues pruned to eliminate duplicates Z: 10 3.016 1.603 0.285 0.377 0.556 0.333 CB 1.002 10 residues pruned to eliminate duplicates Z: 10 6.717 1.650 0.493 0.295 0.889 0.222 CB 1.286 10 residues pruned to eliminate duplicates Z: 12 7.475 1.650 0.418 0.414 0.818 0.455 CA 1.288 12 residues pruned to eliminate duplicates Z: 11 5.233 1.763 0.191 0.405 0.800 0.500 CB 1.089 11 residues pruned to eliminate duplicates Z: 6 3.655 1.651 -0.014 0.488 0.800 0.600 O 1.272 Z: 12 6.119 1.529 0.538 0.723 0.818 0.364 CB 0.784 12 residues pruned to eliminate duplicates Z: 6 4.758 1.565 0.429 0.488 1.000 0.600 CB 0.963 5 residues pruned to eliminate duplicates Z: 9 4.693 1.770 0.095 0.694 0.875 0.625 CB 0.819 9 residues pruned to eliminate duplicates Z: 20 10.754 1.790 0.325 0.486 0.842 0.263 CB 1.253 20 residues pruned to eliminate duplicates Z: 15 7.204 1.794 0.279 0.384 0.786 0.286 CB 1.208 15 residues pruned to eliminate duplicates Z: 17 10.670 1.839 0.428 0.481 0.875 0.312 CB 1.183 17 residues pruned to eliminate duplicates Z: 15 11.561 1.851 0.497 0.496 0.857 0.429 N 1.307 16 residues pruned to eliminate duplicates Z: 9 6.826 1.773 0.112 0.596 1.000 0.625 N 1.117 9 residues pruned to eliminate duplicates Z: 19 10.803 1.780 0.427 0.500 0.833 0.444 CB 1.203 18 residues pruned to eliminate duplicates Z: 6 5.648 1.802 0.339 0.456 1.000 0.400 CB 1.095 6 residues pruned to eliminate duplicates Z: 16 9.375 1.802 0.574 0.473 0.733 0.467 N 1.196 16 residues pruned to eliminate duplicates Z: 19 10.780 1.753 0.570 0.447 0.944 0.389 CB 1.032 18 residues pruned to eliminate duplicates Z: 6 6.217 1.592 0.588 0.566 0.800 0.400 CB 1.289 6 residues pruned to eliminate duplicates Z: 19 12.058 1.767 0.432 0.460 0.944 0.556 N 1.238 19 residues pruned to eliminate duplicates Z: 16 12.031 1.823 0.605 0.511 0.867 0.267 N 1.211 16 residues pruned to eliminate duplicates Z: 21 9.883 1.663 0.499 0.494 0.900 0.400 N 0.990 21 residues pruned to eliminate duplicates 473 residues left after pruning, divided into chains as follows: A: 8 B: 13 C: 8 D: 12 E: 10 F: 6 G: 18 H: 8 I: 9 J: 18 K: 19 L: 25 M: 19 N: 19 O: 16 P: 28 Q: 28 R: 32 S: 30 T: 37 U: 84 V: 20 W: 6 CC for partial structure against native data = 32.53 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.601, Connect. = 0.670 for dens.mod. cycle 1 = 0.300, Contrast = 0.710, Connect. = 0.707 for dens.mod. cycle 2 = 0.300, Contrast = 0.827, Connect. = 0.739 for dens.mod. cycle 3 = 0.300, Contrast = 0.842, Connect. = 0.741 for dens.mod. cycle 4 = 0.300, Contrast = 0.855, Connect. = 0.745 for dens.mod. cycle 5 = 0.300, Contrast = 0.858, Connect. = 0.747 for dens.mod. cycle 6 = 0.300, Contrast = 0.861, Connect. = 0.748 for dens.mod. cycle 7 = 0.300, Contrast = 0.861, Connect. = 0.750 for dens.mod. cycle 8 = 0.300, Contrast = 0.860, Connect. = 0.751 for dens.mod. cycle 9 = 0.300, Contrast = 0.860, Connect. = 0.752 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2802 peaks > 0.5 sigma used to seed fragment search Space for about 1287 unique residues taking solvent into account 548 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 6.279 1.873 0.386 0.684 0.800 0.500 CB 0.808 B: 14 21.426 1.911 0.715 0.888 1.000 0.923 CB 1.306 C: 9 10.722 1.827 0.576 0.803 1.000 0.625 CB 1.010 D: 10 16.246 1.931 1.025 0.901 1.000 0.667 CB 0.989 E: 16 17.630 1.922 0.569 0.919 1.000 0.800 CB 1.064 10 residues pruned to eliminate duplicates F: 10 13.151 1.971 0.517 0.774 0.889 0.778 CB 1.295 G: 31 14.323 1.936 0.298 0.548 0.833 0.567 CB 1.192 29 residues pruned to eliminate duplicates H: 15 23.179 1.951 0.515 0.928 1.000 0.714 CB 1.468 14 residues pruned to eliminate duplicates I: 13 12.982 2.101 0.377 0.823 0.917 0.917 CB 1.068 8 residues pruned to eliminate duplicates J: 23 20.573 1.964 0.541 0.702 0.955 0.636 CB 1.263 15 residues pruned to eliminate duplicates K: 14 3.943 1.731 0.333 0.346 0.615 0.308 CB 0.911 L: 13 12.790 1.835 0.625 0.814 0.917 0.583 CB 1.028 10 residues pruned to eliminate duplicates M: 15 10.291 2.016 0.220 0.777 0.786 0.714 CB 1.114 15 residues pruned to eliminate duplicates N: 8 17.256 1.931 0.990 0.586 1.000 0.571 CB 1.562 O: 14 11.282 2.111 0.297 0.451 0.846 0.692 CB 1.420 P: 19 13.471 1.783 0.566 0.788 0.889 0.778 CB 0.993 Q: 30 13.303 1.876 0.217 0.542 0.897 0.655 CB 1.159 19 residues pruned to eliminate duplicates R: 10 9.888 1.832 0.752 0.467 0.778 0.667 CB 1.365 S: 12 13.564 2.055 0.532 0.540 0.909 0.636 CB 1.374 14 residues pruned to eliminate duplicates T: 12 18.419 2.006 0.638 0.856 1.000 0.636 CB 1.246 9 residues pruned to eliminate duplicates U: 21 19.323 1.836 0.287 0.839 0.950 0.800 CB 1.438 V: 21 20.539 1.816 0.518 0.820 0.900 0.550 CB 1.403 21 residues pruned to eliminate duplicates W: 15 15.774 1.990 0.398 0.828 0.857 0.714 CB 1.331 X: 8 10.106 1.773 0.769 0.882 1.000 0.857 CB 0.881 Y: 19 20.926 1.845 0.461 0.838 0.944 0.667 CB 1.448 15 residues pruned to eliminate duplicates Z: 15 16.937 1.816 0.371 0.911 0.929 0.929 CB 1.387 Z: 9 5.772 1.632 0.923 0.258 0.750 0.500 CB 1.144 Z: 7 8.357 1.753 0.516 0.824 0.833 0.667 N 1.164 7 residues pruned to eliminate duplicates Z: 18 20.340 1.963 0.307 0.885 1.000 0.941 CB 1.389 Z: 14 21.566 1.986 0.588 0.920 0.923 0.846 CB 1.447 14 residues pruned to eliminate duplicates Z: 13 12.295 2.064 0.439 0.823 0.917 0.750 CB 0.985 14 residues pruned to eliminate duplicates Z: 7 4.475 1.538 0.993 0.327 0.667 0.333 CB 1.081 Z: 8 9.104 1.869 0.679 0.509 0.857 0.857 CB 1.269 Z: 10 14.284 1.820 0.527 0.888 1.000 0.889 CB 1.234 9 residues pruned to eliminate duplicates Z: 12 8.577 1.797 0.710 0.465 0.818 0.727 CB 1.066 Z: 7 4.836 1.858 0.373 0.408 0.833 0.500 CB 1.022 Z: 19 14.322 1.881 0.407 0.843 0.889 0.667 CB 1.069 19 residues pruned to eliminate duplicates Z: 8 3.265 1.581 0.398 0.357 0.571 0.286 N 1.140 Z: 17 12.394 1.880 0.249 0.792 1.000 0.875 CB 1.022 15 residues pruned to eliminate duplicates Z: 12 14.896 1.735 0.522 0.869 1.000 0.727 O 1.242 13 residues pruned to eliminate duplicates Z: 15 21.242 1.809 0.631 0.905 1.000 0.929 CB 1.369 Z: 16 16.860 1.942 0.357 0.861 0.933 0.800 CB 1.301 16 residues pruned to eliminate duplicates Z: 17 23.250 1.916 0.495 0.885 1.000 0.625 N 1.465 17 residues pruned to eliminate duplicates Z: 18 23.123 1.850 0.483 0.877 1.000 0.765 CB 1.484 18 residues pruned to eliminate duplicates Z: 7 4.920 1.586 -0.069 0.824 1.000 0.667 N 1.027 Z: 8 8.494 2.001 0.652 0.578 1.000 0.571 CB 0.901 8 residues pruned to eliminate duplicates Z: 22 14.736 1.790 0.575 0.531 0.952 0.619 CB 1.161 18 residues pruned to eliminate duplicates Z: 13 5.306 1.735 0.278 0.273 0.750 0.250 CB 1.192 13 residues pruned to eliminate duplicates Z: 10 5.622 1.684 0.545 0.172 0.778 0.556 CB 1.378 Z: 18 11.095 1.770 0.952 0.274 0.706 0.412 N 1.426 21 residues pruned to eliminate duplicates Z: 15 24.730 1.929 0.674 0.894 0.929 0.786 CB 1.581 15 residues pruned to eliminate duplicates Z: 16 18.589 1.876 0.746 0.871 1.000 0.733 CB 1.069 18 residues pruned to eliminate duplicates Z: 15 10.333 1.977 0.408 0.354 0.857 0.429 CB 1.356 Z: 8 4.580 1.811 0.747 0.804 0.857 0.857 CB 0.490 Z: 17 17.405 1.841 0.578 0.896 0.875 0.812 CB 1.227 21 residues pruned to eliminate duplicates Z: 11 12.295 1.933 0.225 0.855 1.000 0.800 CB 1.212 11 residues pruned to eliminate duplicates Z: 10 9.108 1.738 0.783 0.453 0.889 0.444 N 1.156 Z: 6 5.072 1.439 0.926 0.722 1.000 0.600 CB 0.670 Z: 18 20.213 1.725 0.391 0.881 1.000 0.765 N 1.479 18 residues pruned to eliminate duplicates Z: 9 16.855 1.966 0.554 0.887 1.000 0.750 CB 1.407 9 residues pruned to eliminate duplicates Z: 17 18.925 1.880 0.472 0.911 1.000 0.812 CB 1.211 17 residues pruned to eliminate duplicates Z: 14 12.246 1.798 0.312 0.867 1.000 0.846 CB 1.054 14 residues pruned to eliminate duplicates Z: 16 8.504 1.789 0.474 0.417 0.933 0.600 CB 0.973 21 residues pruned to eliminate duplicates Z: 8 5.374 1.694 0.515 0.466 0.714 0.714 CB 1.147 Z: 9 7.705 1.955 0.370 0.468 0.750 0.625 CB 1.401 9 residues pruned to eliminate duplicates Z: 12 15.447 1.846 0.604 0.795 1.000 0.818 CB 1.215 13 residues pruned to eliminate duplicates Z: 7 8.426 1.516 1.255 0.863 1.000 1.000 CB 0.738 Z: 8 16.342 1.943 0.957 0.718 0.857 0.857 CB 1.556 9 residues pruned to eliminate duplicates Z: 12 10.153 1.471 0.429 0.847 1.000 0.818 O 1.081 Z: 9 14.783 1.994 0.703 0.869 1.000 0.875 CB 1.124 10 residues pruned to eliminate duplicates Z: 15 18.972 1.760 0.705 0.899 1.000 0.786 CB 1.207 2 residues pruned to eliminate duplicates Z: 7 8.768 1.729 0.864 0.505 1.000 1.000 O 1.106 Z: 13 20.370 1.858 0.523 0.881 1.000 0.917 CB 1.506 13 residues pruned to eliminate duplicates Z: 17 19.616 1.996 0.187 0.923 1.000 0.812 CB 1.455 17 residues pruned to eliminate duplicates Z: 18 10.721 1.870 0.347 0.700 0.941 0.588 CB 0.914 18 residues pruned to eliminate duplicates Z: 16 16.741 1.888 0.533 0.934 1.000 0.933 CB 1.041 16 residues pruned to eliminate duplicates Z: 15 22.682 1.843 0.645 0.881 1.000 0.786 CB 1.448 15 residues pruned to eliminate duplicates Z: 17 23.661 1.966 0.481 0.892 1.000 0.938 CB 1.458 17 residues pruned to eliminate duplicates Z: 18 25.579 1.932 0.762 0.870 1.000 0.765 CB 1.330 18 residues pruned to eliminate duplicates Z: 21 15.151 1.807 0.325 0.818 0.850 0.750 CB 1.263 21 residues pruned to eliminate duplicates Z: 6 8.102 1.691 0.728 0.800 1.000 1.000 CB 0.954 Z: 12 14.472 1.629 0.610 0.862 1.000 0.818 CB 1.222 12 residues pruned to eliminate duplicates Z: 17 13.022 1.856 0.494 0.798 0.875 0.688 CB 1.034 17 residues pruned to eliminate duplicates Z: 22 20.318 2.003 0.491 0.708 0.952 0.714 CB 1.290 14 residues pruned to eliminate duplicates Z: 14 23.315 1.952 1.075 0.854 0.846 0.615 CB 1.394 14 residues pruned to eliminate duplicates Z: 15 18.336 2.023 0.687 0.841 1.000 0.714 CB 1.070 14 residues pruned to eliminate duplicates Z: 8 7.454 1.813 0.543 0.676 0.857 0.857 CB 0.998 8 residues pruned to eliminate duplicates Z: 12 6.142 1.789 0.469 0.302 0.818 0.636 CB 1.074 Z: 23 19.613 2.023 0.301 0.678 0.955 0.818 CB 1.413 23 residues pruned to eliminate duplicates Z: 12 14.483 2.025 0.398 0.529 1.000 0.727 N 1.499 12 residues pruned to eliminate duplicates Z: 16 21.684 1.925 0.803 0.774 0.933 0.667 CB 1.357 16 residues pruned to eliminate duplicates Z: 13 13.573 1.581 0.508 0.855 1.000 0.833 CB 1.213 12 residues pruned to eliminate duplicates Z: 11 11.033 1.763 0.804 0.663 1.000 0.800 CB 0.943 11 residues pruned to eliminate duplicates Z: 14 18.640 1.812 0.749 0.851 0.923 0.846 CB 1.308 Z: 7 5.087 1.589 0.207 0.453 1.000 0.667 CB 1.137 Z: 13 18.161 1.906 0.553 0.887 1.000 0.917 CB 1.276 13 residues pruned to eliminate duplicates Z: 21 18.187 1.789 0.667 0.837 0.750 0.550 CB 1.359 21 residues pruned to eliminate duplicates 7 1.564 1.710 0.778 0.864 1.000 0.833 CB 0.154 ? Z: 6 2.731 1.558 1.072 0.260 0.600 0.400 N 0.830 Z: 9 11.792 1.699 0.603 0.734 1.000 0.750 N 1.241 9 residues pruned to eliminate duplicates Z: 15 25.456 1.949 0.533 0.923 1.000 1.000 CB 1.601 15 residues pruned to eliminate duplicates Z: 8 11.268 2.043 0.065 0.867 1.000 1.000 CB 1.432 8 residues pruned to eliminate duplicates Z: 10 11.076 1.738 0.457 0.841 1.000 0.778 CB 1.088 10 residues pruned to eliminate duplicates Z: 17 13.934 1.837 0.351 0.829 1.000 0.750 CB 1.056 17 residues pruned to eliminate duplicates Z: 12 11.447 1.546 1.002 0.519 0.909 0.636 CB 1.204 10 residues pruned to eliminate duplicates Z: 17 15.769 1.886 0.268 0.852 1.000 0.750 CB 1.219 17 residues pruned to eliminate duplicates Z: 15 16.393 1.887 0.620 0.803 0.929 0.714 CB 1.184 15 residues pruned to eliminate duplicates Z: 16 16.223 1.964 0.695 0.781 0.867 0.733 CB 1.134 16 residues pruned to eliminate duplicates Z: 6 3.628 1.641 0.414 0.527 0.800 0.600 CB 0.851 Z: 8 4.864 1.804 0.103 0.414 0.857 0.714 N 1.179 8 residues pruned to eliminate duplicates Z: 15 11.857 1.845 0.855 0.732 0.714 0.500 CB 1.052 15 residues pruned to eliminate duplicates Z: 14 10.607 1.647 0.241 0.843 1.000 0.615 CB 1.072 Z: 16 14.401 1.846 0.506 0.877 0.933 0.800 CB 1.041 16 residues pruned to eliminate duplicates Z: 18 18.972 1.902 0.301 0.913 1.000 0.824 CB 1.315 18 residues pruned to eliminate duplicates Z: 16 9.257 1.727 0.643 0.443 0.733 0.400 N 1.218 Z: 16 17.185 1.932 0.393 0.892 1.000 0.867 CB 1.184 16 residues pruned to eliminate duplicates Z: 10 4.372 1.691 0.236 0.335 0.889 0.333 CB 0.939 Z: 15 5.350 1.478 0.730 0.325 0.643 0.429 N 1.055 15 residues pruned to eliminate duplicates Z: 12 14.095 2.010 0.213 0.890 1.000 0.909 CB 1.254 12 residues pruned to eliminate duplicates Z: 9 4.524 1.673 0.601 0.187 0.750 0.500 CB 1.160 Z: 17 10.698 1.750 0.633 0.662 0.750 0.625 CB 1.075 12 residues pruned to eliminate duplicates Z: 17 19.454 1.903 0.382 0.872 1.000 0.812 CB 1.349 17 residues pruned to eliminate duplicates Z: 15 24.304 1.860 0.701 0.905 1.000 0.929 CB 1.461 15 residues pruned to eliminate duplicates Z: 10 5.894 1.588 0.280 0.486 1.000 0.444 CB 0.980 10 residues pruned to eliminate duplicates Z: 9 11.135 1.746 0.545 0.480 1.000 0.500 CB 1.488 9 residues pruned to eliminate duplicates Z: 18 22.686 1.895 0.527 0.845 0.941 0.765 CB 1.502 18 residues pruned to eliminate duplicates Z: 10 4.838 1.876 0.220 0.819 1.000 0.889 CB 0.534 Z: 10 5.204 1.774 0.742 0.223 0.667 0.444 CB 1.164 10 residues pruned to eliminate duplicates 6 1.409 1.453 -0.188 0.543 0.800 0.400 CB 0.640 ? Z: 9 14.768 1.948 0.774 0.594 1.000 1.000 CB 1.381 6 residues pruned to eliminate duplicates Z: 15 23.250 1.871 0.833 0.852 1.000 0.714 CB 1.340 15 residues pruned to eliminate duplicates Z: 20 15.317 1.913 0.446 0.553 0.947 0.842 CB 1.274 23 residues pruned to eliminate duplicates Z: 8 2.663 1.482 0.250 0.695 0.857 0.571 CB 0.531 Z: 15 20.387 1.988 0.652 0.831 1.000 0.643 CB 1.246 15 residues pruned to eliminate duplicates Z: 19 24.160 1.880 0.641 0.888 0.944 0.833 CB 1.408 19 residues pruned to eliminate duplicates Z: 20 17.770 1.792 0.420 0.823 0.895 0.579 CB 1.354 20 residues pruned to eliminate duplicates Z: 11 4.641 1.785 0.496 0.403 0.600 0.300 CB 1.014 Z: 15 15.511 1.965 0.622 0.597 0.929 0.929 CB 1.276 15 residues pruned to eliminate duplicates Z: 10 5.668 1.681 0.341 0.736 0.889 0.667 CB 0.763 Z: 14 18.016 1.860 0.418 0.904 1.000 0.923 CB 1.350 14 residues pruned to eliminate duplicates Z: 7 7.140 1.622 0.369 0.641 1.000 0.667 CB 1.150 7 residues pruned to eliminate duplicates Z: 25 17.277 1.974 0.360 0.600 0.917 0.792 CB 1.302 25 residues pruned to eliminate duplicates Z: 14 15.060 1.923 0.463 0.810 0.923 0.769 CB 1.227 14 residues pruned to eliminate duplicates Z: 16 18.059 1.757 0.685 0.859 0.933 0.800 CB 1.242 16 residues pruned to eliminate duplicates Z: 8 5.531 1.991 0.523 0.547 0.857 0.714 CB 0.769 8 residues pruned to eliminate duplicates Z: 19 20.311 1.858 0.446 0.906 1.000 1.000 CB 1.268 19 residues pruned to eliminate duplicates Z: 12 10.611 1.616 0.469 0.858 0.909 0.455 CB 1.091 13 residues pruned to eliminate duplicates Z: 16 24.056 1.757 0.800 0.927 1.000 0.867 CB 1.376 21 residues pruned to eliminate duplicates Z: 10 19.373 1.950 0.900 0.855 1.000 0.889 CB 1.286 10 residues pruned to eliminate duplicates Z: 11 5.841 1.835 0.238 0.233 0.800 0.400 CB 1.386 9 residues pruned to eliminate duplicates Z: 18 23.713 1.921 0.685 0.879 1.000 0.882 CB 1.288 18 residues pruned to eliminate duplicates Z: 10 14.045 1.863 0.670 0.838 1.000 0.889 CB 1.124 10 residues pruned to eliminate duplicates Z: 19 9.227 1.752 0.658 0.440 0.889 0.500 CB 0.897 14 residues pruned to eliminate duplicates Z: 11 10.201 1.792 0.671 0.536 0.900 0.600 N 1.156 9 residues pruned to eliminate duplicates 6 0.813 1.530 0.296 0.298 0.400 0.400 CB 0.574 ? Z: 15 23.665 1.882 0.855 0.909 1.000 0.786 CB 1.285 15 residues pruned to eliminate duplicates Z: 7 8.262 1.613 0.423 0.890 1.000 0.833 CB 1.058 7 residues pruned to eliminate duplicates Z: 18 18.442 1.949 0.162 0.920 1.000 1.000 CB 1.390 18 residues pruned to eliminate duplicates Z: 13 12.990 1.719 0.536 0.851 0.917 0.833 CB 1.147 13 residues pruned to eliminate duplicates Z: 14 16.913 1.860 0.489 0.864 1.000 0.923 CB 1.242 14 residues pruned to eliminate duplicates Z: 6 4.577 1.902 0.230 0.891 1.000 1.000 CB 0.629 6 residues pruned to eliminate duplicates Z: 11 5.737 1.666 0.831 0.511 0.800 0.600 CB 0.735 12 residues pruned to eliminate duplicates Z: 19 17.192 1.838 0.146 0.844 1.000 0.944 O 1.430 19 residues pruned to eliminate duplicates Z: 12 4.471 1.594 0.620 0.149 0.818 0.182 N 0.984 Z: 11 6.712 1.885 -0.043 0.411 0.800 0.600 CB 1.614 7 residues pruned to eliminate duplicates Z: 13 8.907 1.774 0.144 0.584 0.833 0.583 CB 1.402 36 residues pruned to eliminate duplicates 6 1.605 1.604 0.176 0.427 0.600 0.400 CB 0.684 ? Z: 15 10.031 1.980 0.537 0.405 0.786 0.500 CB 1.239 14 residues pruned to eliminate duplicates Z: 7 9.561 1.860 0.339 0.645 1.000 0.667 CB 1.369 Z: 16 16.214 1.914 0.251 0.920 1.000 0.933 CB 1.231 16 residues pruned to eliminate duplicates Z: 12 6.945 1.984 -0.009 0.384 0.909 0.455 CB 1.326 12 residues pruned to eliminate duplicates Z: 15 18.414 1.912 0.632 0.840 1.000 0.714 CB 1.178 16 residues pruned to eliminate duplicates Z: 7 4.734 1.709 0.365 0.357 0.833 0.500 CB 1.161 Z: 15 20.672 1.957 0.595 0.855 1.000 0.786 CB 1.306 15 residues pruned to eliminate duplicates Z: 24 12.943 1.859 0.479 0.539 0.783 0.565 CB 1.207 24 residues pruned to eliminate duplicates Z: 17 16.074 1.792 0.704 0.904 1.000 0.938 CB 0.937 17 residues pruned to eliminate duplicates Z: 19 14.295 1.818 0.365 0.767 0.944 0.833 CB 1.135 19 residues pruned to eliminate duplicates Z: 19 21.862 1.863 0.463 0.887 1.000 0.722 CB 1.362 19 residues pruned to eliminate duplicates 6 1.564 1.561 0.335 0.505 0.600 0.400 CB 0.556 ? Z: 7 4.276 1.805 0.618 0.329 0.833 0.500 CB 0.866 9 residues pruned to eliminate duplicates Z: 15 18.580 1.981 0.655 0.820 0.929 0.643 CB 1.236 15 residues pruned to eliminate duplicates Z: 7 8.912 1.486 0.466 0.893 1.000 0.833 N 1.199 Z: 15 18.253 1.905 0.520 0.834 1.000 0.714 CB 1.263 15 residues pruned to eliminate duplicates Z: 8 3.526 1.474 0.140 0.398 0.857 0.714 CB 1.031 6 residues pruned to eliminate duplicates Z: 18 27.985 1.973 0.682 0.906 1.000 0.941 CB 1.455 18 residues pruned to eliminate duplicates Z: 13 23.493 1.953 0.562 0.935 1.000 1.000 CB 1.550 17 residues pruned to eliminate duplicates Z: 8 8.560 1.675 0.265 0.788 1.000 0.714 CB 1.186 Z: 6 2.905 1.838 0.199 0.880 1.000 1.000 CB 0.427 Z: 6 3.588 1.675 0.322 0.738 0.800 0.600 CB 0.732 Z: 18 7.519 1.676 0.594 0.373 0.765 0.529 N 1.023 18 residues pruned to eliminate duplicates Z: 29 19.728 1.737 0.758 0.552 0.893 0.571 CB 1.300 29 residues pruned to eliminate duplicates Z: 23 19.087 1.754 0.527 0.730 0.909 0.682 CB 1.359 23 residues pruned to eliminate duplicates 6 1.894 1.211 0.248 0.653 0.800 0.800 CB 0.608 ? Z: 8 2.338 1.491 0.129 0.291 0.857 0.571 N 0.775 Z: 10 7.954 1.756 0.165 0.610 1.000 0.778 CB 1.167 Z: 12 8.019 1.729 0.626 0.388 0.818 0.455 CB 1.183 12 residues pruned to eliminate duplicates 6 1.774 1.507 1.143 0.265 0.800 0.400 CB 0.402 ? Z: 16 8.804 1.858 0.365 0.335 0.867 0.533 CB 1.238 20 residues pruned to eliminate duplicates Z: 8 6.437 1.789 0.316 0.723 0.857 0.714 CB 0.986 10 residues pruned to eliminate duplicates Z: 20 6.398 1.555 0.770 0.219 0.684 0.316 CB 1.085 6 residues pruned to eliminate duplicates Z: 8 10.925 1.616 0.739 0.751 1.000 0.857 CB 1.174 7 residues pruned to eliminate duplicates Z: 18 7.015 1.669 0.535 0.406 0.765 0.471 CB 0.958 9 residues pruned to eliminate duplicates Z: 6 12.327 1.878 0.535 0.879 1.000 0.800 CB 1.387 7 residues pruned to eliminate duplicates Z: 25 18.354 1.843 0.502 0.613 0.875 0.583 CB 1.389 22 residues pruned to eliminate duplicates Z: 12 12.125 1.861 0.609 0.893 1.000 0.818 CB 0.877 8 residues pruned to eliminate duplicates Z: 7 4.614 1.646 0.590 0.402 0.667 0.333 CB 1.196 5 residues pruned to eliminate duplicates Z: 8 8.658 2.049 0.312 0.715 0.857 0.857 CB 1.170 8 residues pruned to eliminate duplicates Z: 11 5.757 1.815 0.375 0.523 0.600 0.600 CB 1.189 21 residues pruned to eliminate duplicates Z: 14 6.146 1.704 0.436 0.541 0.769 0.308 CB 0.870 8 residues pruned to eliminate duplicates Z: 10 5.591 1.504 1.038 0.835 0.889 0.889 CB 0.512 10 residues pruned to eliminate duplicates 7 1.995 1.406 0.081 0.349 0.667 0.500 CB 0.947 ? Z: 11 18.629 2.022 0.621 0.878 0.900 0.900 CB 1.449 12 residues pruned to eliminate duplicates Z: 14 11.073 1.856 0.636 0.385 0.846 0.385 CB 1.350 5 residues pruned to eliminate duplicates Z: 9 10.068 1.728 0.462 0.593 0.875 0.625 O 1.474 8 residues pruned to eliminate duplicates Z: 14 23.637 1.964 0.782 0.899 0.923 0.923 CB 1.450 14 residues pruned to eliminate duplicates Z: 13 9.882 1.653 0.265 0.865 1.000 0.667 CB 0.999 13 residues pruned to eliminate duplicates 6 1.992 1.510 0.398 0.342 0.600 0.400 N 0.835 ? Z: 14 4.000 1.577 0.243 0.207 0.769 0.538 CB 1.041 7 residues pruned to eliminate duplicates Z: 13 23.383 1.952 0.787 0.932 1.000 1.000 CB 1.352 21 residues pruned to eliminate duplicates Z: 15 20.697 1.781 0.851 0.895 1.000 0.571 CB 1.203 15 residues pruned to eliminate duplicates Z: 12 7.099 1.847 0.200 0.907 0.909 0.909 CB 0.755 Z: 8 5.888 1.749 0.748 0.355 0.714 0.714 CB 1.192 8 residues pruned to eliminate duplicates Z: 15 13.015 1.879 0.709 0.746 0.786 0.643 CB 1.106 17 residues pruned to eliminate duplicates Z: 15 21.778 1.877 0.763 0.843 1.000 0.857 CB 1.309 18 residues pruned to eliminate duplicates Z: 16 8.700 1.750 0.288 0.407 0.867 0.733 CB 1.267 10 residues pruned to eliminate duplicates Z: 7 5.339 1.742 0.619 0.508 0.833 0.500 CB 0.920 Z: 11 6.490 1.493 0.733 0.377 0.800 0.400 O 1.130 Z: 8 7.271 1.756 0.552 0.602 0.857 0.714 CB 1.067 10 residues pruned to eliminate duplicates Z: 15 20.931 1.829 0.550 0.858 1.000 0.786 CB 1.453 15 residues pruned to eliminate duplicates Z: 7 4.195 1.657 0.437 0.364 0.667 0.667 CB 1.248 7 residues pruned to eliminate duplicates Z: 8 5.131 1.722 0.276 0.434 0.714 0.429 CB 1.323 Z: 17 16.463 1.856 0.681 0.728 0.938 0.688 CB 1.146 17 residues pruned to eliminate duplicates Z: 8 13.619 1.638 0.650 0.895 1.000 1.000 N 1.365 8 residues pruned to eliminate duplicates Z: 6 4.753 1.533 0.467 0.616 0.800 0.800 CB 1.059 Z: 10 6.783 1.798 0.135 0.462 0.889 0.778 CB 1.296 10 residues pruned to eliminate duplicates Z: 6 2.263 1.543 -0.065 0.409 0.600 0.400 O 1.286 Z: 12 9.550 1.611 0.543 0.872 0.909 0.727 CB 0.929 12 residues pruned to eliminate duplicates Z: 11 3.870 1.626 0.323 0.503 0.700 0.600 CB 0.811 6 residues pruned to eliminate duplicates Z: 7 9.352 1.676 0.848 0.546 1.000 0.833 CB 1.178 Z: 15 19.846 1.866 0.548 0.858 1.000 0.929 CB 1.352 15 residues pruned to eliminate duplicates Z: 9 7.490 1.644 0.579 0.471 0.750 0.625 N 1.400 4 residues pruned to eliminate duplicates Z: 16 3.820 1.688 0.549 0.311 0.667 0.400 CB 0.697 16 residues pruned to eliminate duplicates Z: 13 5.381 1.650 0.496 0.344 0.750 0.583 CB 0.994 13 residues pruned to eliminate duplicates 6 1.745 1.711 -0.152 0.885 1.000 1.000 CB 0.388 ? Z: 13 13.916 1.994 0.487 0.854 1.000 0.750 CB 1.001 7 residues pruned to eliminate duplicates Z: 15 27.076 1.858 0.770 0.897 1.000 0.857 CB 1.575 31 residues pruned to eliminate duplicates Z: 9 12.313 1.533 0.581 0.888 1.000 0.750 CB 1.294 9 residues pruned to eliminate duplicates 6 1.524 1.389 -0.004 0.683 1.000 0.600 CB 0.417 ? Z: 12 4.884 1.494 0.180 0.393 0.909 0.455 CB 1.028 Z: 7 4.232 1.562 0.186 0.541 0.833 0.667 CB 1.075 7 residues pruned to eliminate duplicates Z: 6 8.431 1.902 0.138 0.814 1.000 1.000 CB 1.327 Z: 19 7.462 1.712 0.438 0.380 0.722 0.500 CB 1.124 19 residues pruned to eliminate duplicates Z: 9 3.073 1.668 0.241 0.186 0.625 0.375 CB 1.224 Z: 19 12.285 1.796 0.618 0.552 0.889 0.444 CB 1.066 19 residues pruned to eliminate duplicates Z: 7 9.984 1.522 0.622 0.870 1.000 0.667 N 1.206 7 residues pruned to eliminate duplicates 6 1.818 1.273 0.592 0.294 1.000 0.400 CB 0.505 ? Z: 9 5.367 1.500 0.521 0.395 0.750 0.625 CB 1.239 Z: 7 4.382 1.667 1.019 0.394 0.667 0.500 CB 0.892 Z: 14 15.073 1.762 0.682 0.793 0.846 0.615 CB 1.289 21 residues pruned to eliminate duplicates Z: 6 3.841 1.364 0.540 0.482 0.800 0.600 C 1.040 6 residues pruned to eliminate duplicates Z: 14 13.573 1.639 0.454 0.898 1.000 1.000 CB 1.129 14 residues pruned to eliminate duplicates Z: 14 25.440 1.953 0.695 0.917 0.923 0.923 CB 1.629 14 residues pruned to eliminate duplicates Z: 8 5.103 1.444 0.116 0.600 1.000 0.571 N 1.088 8 residues pruned to eliminate duplicates Z: 14 10.737 1.753 0.586 0.863 0.923 0.538 CB 0.851 14 residues pruned to eliminate duplicates Z: 9 9.087 1.555 0.658 0.735 0.875 0.625 CB 1.153 9 residues pruned to eliminate duplicates Z: 18 12.033 1.913 0.666 0.603 0.647 0.412 N 1.283 18 residues pruned to eliminate duplicates Z: 15 21.007 1.882 0.907 0.911 1.000 0.929 CB 1.109 13 residues pruned to eliminate duplicates Z: 7 4.668 1.368 0.339 0.753 1.000 0.667 CB 0.830 Z: 13 20.546 1.850 1.005 0.804 0.833 0.250 N 1.472 13 residues pruned to eliminate duplicates Z: 9 12.712 1.537 0.749 0.878 1.000 0.750 CB 1.213 8 residues pruned to eliminate duplicates Z: 6 2.194 1.676 -0.037 0.382 0.800 0.800 CB 0.861 Z: 6 4.677 1.752 0.213 0.356 1.000 0.800 CB 1.150 5 residues pruned to eliminate duplicates Z: 8 12.074 1.879 0.591 0.564 0.857 0.571 N 1.673 10 residues pruned to eliminate duplicates Z: 9 5.689 1.613 0.674 0.658 0.875 0.625 CB 0.735 6 1.771 1.458 0.484 0.254 0.600 0.600 CB 0.809 ? Z: 10 8.571 1.535 0.860 0.573 0.889 0.889 N 1.049 8 residues pruned to eliminate duplicates Z: 7 3.341 1.675 0.506 0.179 0.667 0.667 O 1.195 5 residues pruned to eliminate duplicates Z: 8 3.836 1.449 0.287 0.462 1.000 0.429 CB 0.808 6 1.676 1.432 -0.027 0.459 0.600 0.600 N 0.935 ? Z: 7 12.235 1.830 0.705 0.740 1.000 0.500 CB 1.291 23 residues pruned to eliminate duplicates Z: 8 11.831 1.651 0.480 0.876 1.000 0.857 CB 1.330 8 residues pruned to eliminate duplicates Z: 9 4.656 1.432 0.391 0.463 0.750 0.500 N 1.144 Z: 8 12.566 1.568 1.148 0.843 1.000 0.714 N 1.050 7 residues pruned to eliminate duplicates Z: 6 4.579 1.535 0.243 0.733 1.000 0.600 CB 0.870 6 1.129 1.522 0.460 0.298 0.400 0.400 N 0.712 ? Z: 8 3.531 1.603 0.208 0.526 1.000 0.286 CB 0.672 Z: 8 3.536 1.463 0.895 0.676 0.714 0.571 CB 0.574 8 residues pruned to eliminate duplicates Z: 21 10.487 1.729 0.495 0.391 0.950 0.700 CB 1.072 13 residues pruned to eliminate duplicates Z: 20 19.836 2.042 0.586 0.642 0.947 0.632 CB 1.299 15 residues pruned to eliminate duplicates Z: 6 8.407 1.777 0.571 0.750 1.000 0.600 CB 1.078 Z: 15 11.475 1.670 0.377 0.872 0.929 0.786 CB 1.047 15 residues pruned to eliminate duplicates Z: 8 2.613 1.433 0.250 0.349 0.714 0.571 O 0.909 Z: 6 4.768 1.600 -0.083 0.763 1.000 0.800 CB 1.150 6 residues pruned to eliminate duplicates Z: 6 3.123 1.868 0.275 0.593 0.800 0.800 CB 0.671 Z: 8 2.940 1.542 0.200 0.387 0.571 0.286 C 1.186 Z: 11 5.848 1.483 0.411 0.381 0.900 0.600 N 1.114 Z: 6 3.155 1.647 0.403 0.438 0.600 0.600 CB 1.084 Z: 17 15.190 1.904 0.632 0.652 0.875 0.500 CB 1.214 15 residues pruned to eliminate duplicates Z: 7 4.107 1.587 0.465 0.846 1.000 0.667 CB 0.536 Z: 26 8.271 1.757 0.323 0.251 0.760 0.520 CB 1.247 26 residues pruned to eliminate duplicates Z: 20 20.917 1.845 0.347 0.854 1.000 0.789 CB 1.426 20 residues pruned to eliminate duplicates Z: 13 4.671 1.635 0.240 0.301 0.750 0.583 N 1.108 13 residues pruned to eliminate duplicates Z: 10 12.455 1.861 0.776 0.813 0.889 0.333 CB 1.077 10 residues pruned to eliminate duplicates 8 1.953 1.488 0.237 0.226 0.571 0.571 O 0.967 ? Z: 16 6.633 1.679 0.462 0.312 0.800 0.533 N 1.074 17 residues pruned to eliminate duplicates Z: 6 5.719 1.673 0.478 0.664 0.800 0.800 CB 1.111 Z: 18 9.976 1.835 0.405 0.327 0.882 0.353 CB 1.286 17 residues pruned to eliminate duplicates Z: 6 3.602 1.317 0.942 0.849 1.000 0.800 CB 0.467 Z: 6 4.731 1.461 0.812 0.483 0.800 0.600 CB 1.016 7 residues pruned to eliminate duplicates Z: 12 18.259 1.945 0.589 0.899 1.000 1.000 CB 1.273 12 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 9 15.796 1.881 1.018 0.635 0.875 0.875 N 1.481 11 residues pruned to eliminate duplicates Z: 11 4.544 1.251 0.994 0.441 0.900 0.600 N 0.680 11 residues pruned to eliminate duplicates Z: 12 10.587 1.718 0.795 0.525 0.818 0.636 CB 1.234 12 residues pruned to eliminate duplicates Z: 10 10.781 1.877 0.572 0.512 0.778 0.667 CB 1.548 10 residues pruned to eliminate duplicates Z: 11 9.860 1.744 0.762 0.572 0.800 0.800 CB 1.183 11 residues pruned to eliminate duplicates Z: 7 4.309 1.865 0.696 0.456 1.000 0.667 CB 0.582 7 residues pruned to eliminate duplicates Z: 8 4.105 1.813 0.598 0.540 1.000 0.857 CB 0.515 8 residues pruned to eliminate duplicates Z: 8 4.111 1.814 0.427 0.323 0.857 0.571 CB 0.850 8 residues pruned to eliminate duplicates Z: 7 2.918 1.799 0.600 0.221 1.000 0.500 CB 0.574 7 residues pruned to eliminate duplicates Z: 23 7.503 1.703 0.555 0.396 0.727 0.318 CB 0.927 23 residues pruned to eliminate duplicates Z: 15 9.729 1.742 0.574 0.462 0.929 0.500 CB 1.062 23 residues pruned to eliminate duplicates Z: 10 6.139 1.741 0.269 0.420 0.889 0.667 CB 1.132 10 residues pruned to eliminate duplicates Z: 16 7.909 1.751 0.562 0.424 0.933 0.400 CB 0.866 16 residues pruned to eliminate duplicates Z: 6 5.470 1.812 0.617 0.669 0.800 0.800 CB 0.893 Z: 9 10.692 1.720 1.015 0.873 0.875 0.875 CB 0.908 6 residues pruned to eliminate duplicates Z: 9 10.205 1.582 0.954 0.877 0.875 0.875 N 0.969 9 residues pruned to eliminate duplicates Z: 7 10.506 1.657 0.886 0.701 0.833 0.667 CB 1.371 6 residues pruned to eliminate duplicates Z: 12 16.567 1.601 0.681 0.890 1.000 1.000 O 1.336 12 residues pruned to eliminate duplicates Z: 7 5.557 1.559 0.463 0.692 0.833 0.500 N 1.002 7 residues pruned to eliminate duplicates Z: 10 7.452 1.640 0.266 0.812 0.889 0.556 CB 1.026 10 residues pruned to eliminate duplicates Z: 13 12.674 1.626 0.461 0.699 1.000 0.583 CB 1.284 13 residues pruned to eliminate duplicates Z: 14 10.691 1.590 0.596 0.684 0.923 0.615 CB 1.069 14 residues pruned to eliminate duplicates Z: 11 14.177 1.674 0.695 0.791 1.000 0.700 CB 1.224 11 residues pruned to eliminate duplicates Z: 13 11.649 1.582 0.561 0.727 0.917 0.833 CB 1.210 13 residues pruned to eliminate duplicates Z: 14 10.697 1.601 0.425 0.706 0.923 0.769 CB 1.168 14 residues pruned to eliminate duplicates Z: 14 11.776 1.587 0.482 0.671 0.923 0.769 CB 1.285 14 residues pruned to eliminate duplicates Z: 7 8.577 1.876 0.199 0.567 1.000 0.500 CB 1.458 7 residues pruned to eliminate duplicates Z: 9 8.174 1.761 0.425 0.601 0.875 0.625 CB 1.196 9 residues pruned to eliminate duplicates Z: 12 6.058 1.796 0.379 0.469 0.909 0.455 CB 0.838 12 residues pruned to eliminate duplicates Z: 11 8.957 1.655 0.283 0.613 0.900 0.700 CB 1.332 11 residues pruned to eliminate duplicates Z: 9 15.482 1.830 0.664 0.722 1.000 0.875 N 1.471 12 residues pruned to eliminate duplicates Z: 8 14.379 1.827 0.871 0.542 1.000 0.714 CB 1.526 8 residues pruned to eliminate duplicates Z: 9 9.090 1.688 0.661 0.428 0.875 0.250 O 1.412 9 residues pruned to eliminate duplicates Z: 8 7.349 1.620 0.776 0.460 0.857 0.429 N 1.173 6 residues pruned to eliminate duplicates Z: 6 4.811 1.828 0.431 0.444 0.800 0.600 CB 1.089 5 residues pruned to eliminate duplicates Z: 6 4.325 1.441 0.276 0.733 1.000 0.600 CB 0.854 6 residues pruned to eliminate duplicates Z: 7 3.257 1.801 0.377 0.443 1.000 0.333 CB 0.569 Z: 6 3.914 1.526 0.625 0.460 1.000 0.600 N 0.735 6 residues pruned to eliminate duplicates Z: 13 10.108 1.905 0.564 0.307 0.833 0.417 CB 1.456 13 residues pruned to eliminate duplicates Z: 26 9.503 1.725 0.623 0.207 0.800 0.480 CB 1.200 19 residues pruned to eliminate duplicates Z: 7 3.645 1.579 0.583 0.504 0.500 0.333 CB 1.186 16 residues pruned to eliminate duplicates Z: 7 5.277 1.744 0.919 0.357 0.833 0.667 CB 0.901 7 residues pruned to eliminate duplicates Z: 24 10.315 1.823 0.460 0.280 0.783 0.435 CB 1.323 24 residues pruned to eliminate duplicates Z: 12 7.137 1.784 0.608 0.357 0.727 0.364 CB 1.204 12 residues pruned to eliminate duplicates Z: 8 8.390 1.498 0.623 0.706 1.000 0.857 N 1.081 8 residues pruned to eliminate duplicates Z: 10 7.731 1.588 0.597 0.505 0.778 0.556 CB 1.300 10 residues pruned to eliminate duplicates Z: 7 11.342 1.541 0.903 0.888 1.000 0.833 N 1.138 7 residues pruned to eliminate duplicates Z: 6 4.796 1.478 0.723 0.797 1.000 0.800 N 0.649 6 residues pruned to eliminate duplicates Z: 10 7.409 1.511 0.716 0.409 1.000 0.556 N 1.048 10 residues pruned to eliminate duplicates Z: 16 10.269 1.809 0.683 0.434 0.933 0.733 CB 0.999 16 residues pruned to eliminate duplicates Z: 10 11.327 1.975 0.517 0.667 0.889 0.889 CB 1.214 10 residues pruned to eliminate duplicates Z: 18 16.087 1.925 0.367 0.816 0.941 0.941 CB 1.197 18 residues pruned to eliminate duplicates Z: 17 23.091 2.014 0.329 0.913 1.000 0.938 CB 1.526 17 residues pruned to eliminate duplicates Z: 19 21.287 1.883 0.540 0.851 0.944 0.833 CB 1.357 19 residues pruned to eliminate duplicates Z: 18 14.739 1.966 0.405 0.747 0.882 0.706 CB 1.177 18 residues pruned to eliminate duplicates Z: 14 22.505 2.038 0.581 0.884 1.000 0.769 CB 1.399 14 residues pruned to eliminate duplicates Z: 17 24.313 1.913 0.613 0.882 1.000 0.812 CB 1.425 17 residues pruned to eliminate duplicates Z: 16 24.658 1.944 0.699 0.894 1.000 0.800 CB 1.383 16 residues pruned to eliminate duplicates Z: 18 24.840 1.945 0.795 0.868 0.941 0.882 CB 1.340 18 residues pruned to eliminate duplicates Z: 17 20.144 1.887 0.719 0.799 0.938 0.625 CB 1.275 17 residues pruned to eliminate duplicates Z: 18 26.306 1.994 0.653 0.844 0.941 0.824 CB 1.530 18 residues pruned to eliminate duplicates Z: 17 27.379 1.984 0.740 0.858 0.938 0.750 CB 1.558 17 residues pruned to eliminate duplicates Z: 17 27.579 1.913 0.696 0.896 1.000 0.938 CB 1.522 17 residues pruned to eliminate duplicates Z: 18 28.521 1.942 0.740 0.875 1.000 0.824 N 1.488 18 residues pruned to eliminate duplicates Z: 17 24.816 1.928 0.500 0.892 1.000 0.875 CB 1.541 17 residues pruned to eliminate duplicates Z: 18 27.529 1.988 0.706 0.855 0.941 0.941 CB 1.543 18 residues pruned to eliminate duplicates Z: 14 10.887 1.893 0.580 0.584 0.923 0.615 CB 1.009 14 residues pruned to eliminate duplicates Z: 12 8.014 1.852 0.368 0.396 0.727 0.364 CB 1.464 12 residues pruned to eliminate duplicates Z: 7 3.354 1.669 0.228 0.496 0.667 0.667 N 1.006 7 residues pruned to eliminate duplicates Z: 19 11.736 1.878 0.532 0.556 0.889 0.444 CB 1.024 19 residues pruned to eliminate duplicates Z: 17 10.466 1.918 0.512 0.583 0.875 0.500 CB 0.953 17 residues pruned to eliminate duplicates Z: 7 7.245 2.090 0.620 0.834 0.833 0.667 CB 0.785 7 residues pruned to eliminate duplicates Z: 13 9.370 1.989 0.506 0.571 0.833 0.417 CB 1.012 13 residues pruned to eliminate duplicates Z: 15 11.988 2.023 0.551 0.682 0.857 0.643 CB 1.008 15 residues pruned to eliminate duplicates Z: 20 14.251 1.932 0.563 0.585 0.789 0.579 CB 1.264 20 residues pruned to eliminate duplicates Z: 20 14.909 1.975 0.451 0.603 0.842 0.632 CB 1.285 20 residues pruned to eliminate duplicates Z: 19 16.101 1.943 0.758 0.620 0.889 0.611 CB 1.116 19 residues pruned to eliminate duplicates Z: 17 16.545 2.091 0.578 0.687 0.875 0.500 CB 1.207 17 residues pruned to eliminate duplicates Z: 22 15.496 1.976 0.777 0.529 0.905 0.429 CB 1.034 22 residues pruned to eliminate duplicates Z: 21 13.885 1.965 0.387 0.591 0.850 0.600 CB 1.229 21 residues pruned to eliminate duplicates Z: 13 23.701 2.139 0.742 0.721 1.000 0.667 CB 1.504 16 residues pruned to eliminate duplicates Z: 15 15.296 2.086 0.595 0.675 0.929 0.643 CB 1.126 15 residues pruned to eliminate duplicates Z: 20 13.278 1.979 0.415 0.599 0.947 0.421 CB 1.044 20 residues pruned to eliminate duplicates Z: 8 14.024 2.051 0.457 0.591 1.000 0.571 N 1.625 Z: 6 7.403 1.837 0.656 0.433 1.000 1.000 CB 1.167 Z: 7 4.434 1.857 0.490 0.245 0.833 0.500 CB 1.053 7 residues pruned to eliminate duplicates Z: 21 14.045 1.924 0.715 0.478 0.800 0.550 CB 1.216 26 residues pruned to eliminate duplicates Z: 11 14.363 1.929 0.823 0.529 0.900 0.500 CB 1.394 11 residues pruned to eliminate duplicates Z: 17 20.612 1.924 0.961 0.474 1.000 0.750 CB 1.402 17 residues pruned to eliminate duplicates Z: 19 11.584 1.886 0.589 0.393 0.833 0.611 CB 1.224 19 residues pruned to eliminate duplicates Z: 17 17.575 2.021 0.547 0.568 0.938 0.688 CB 1.404 17 residues pruned to eliminate duplicates Z: 16 16.712 1.986 0.554 0.575 0.933 0.733 CB 1.394 16 residues pruned to eliminate duplicates Z: 17 15.356 2.007 0.535 0.630 0.875 0.688 CB 1.261 17 residues pruned to eliminate duplicates Z: 26 17.857 1.889 0.620 0.620 1.000 0.640 CB 1.042 26 residues pruned to eliminate duplicates Z: 26 20.050 1.961 0.660 0.654 0.960 0.640 CB 1.113 26 residues pruned to eliminate duplicates Z: 25 19.356 1.998 0.662 0.599 0.958 0.667 CB 1.130 25 residues pruned to eliminate duplicates Z: 14 20.079 1.994 0.907 0.885 1.000 0.769 CB 1.058 15 residues pruned to eliminate duplicates Z: 14 19.335 2.003 0.692 0.899 1.000 0.846 CB 1.131 14 residues pruned to eliminate duplicates Z: 14 15.433 1.950 0.732 0.866 0.923 0.615 CB 1.006 14 residues pruned to eliminate duplicates Z: 21 12.873 1.898 0.699 0.427 0.850 0.600 CB 1.133 21 residues pruned to eliminate duplicates Z: 20 14.538 1.905 0.734 0.528 0.842 0.684 CB 1.166 20 residues pruned to eliminate duplicates Z: 12 9.049 1.611 0.604 0.689 0.909 0.727 CB 0.977 12 residues pruned to eliminate duplicates Z: 12 9.739 1.508 0.551 0.671 0.909 0.727 N 1.180 11 residues pruned to eliminate duplicates Z: 17 14.169 1.626 0.336 0.847 1.000 0.500 CB 1.211 19 residues pruned to eliminate duplicates Z: 14 13.603 1.690 0.318 0.893 1.000 0.692 CB 1.216 15 residues pruned to eliminate duplicates Z: 13 12.304 1.682 0.566 0.838 1.000 0.500 CB 1.008 13 residues pruned to eliminate duplicates Z: 13 10.842 1.690 0.475 0.783 0.917 0.500 CB 1.068 13 residues pruned to eliminate duplicates Z: 17 9.015 1.644 0.392 0.705 0.875 0.625 CB 0.934 17 residues pruned to eliminate duplicates Z: 15 10.674 1.677 0.557 0.694 0.786 0.357 CB 1.165 15 residues pruned to eliminate duplicates Z: 15 10.893 1.680 0.690 0.770 0.786 0.643 CB 1.028 15 residues pruned to eliminate duplicates Z: 15 9.156 1.624 0.499 0.661 0.857 0.429 CB 1.010 15 residues pruned to eliminate duplicates Z: 16 9.578 1.624 0.587 0.691 0.867 0.733 CB 0.930 16 residues pruned to eliminate duplicates Z: 15 11.070 1.668 0.532 0.718 0.929 0.286 CB 1.024 15 residues pruned to eliminate duplicates Z: 20 7.897 1.634 0.524 0.594 0.684 0.421 CB 0.972 20 residues pruned to eliminate duplicates Z: 15 6.820 1.579 0.688 0.409 0.714 0.500 CB 1.053 9 residues pruned to eliminate duplicates Z: 19 7.545 1.561 0.405 0.537 0.778 0.500 CB 1.005 34 residues pruned to eliminate duplicates Z: 6 3.342 1.814 0.206 0.509 0.800 0.400 CB 0.847 Z: 7 3.934 1.350 1.126 0.251 1.000 0.333 CB 0.745 Z: 17 16.775 1.779 0.485 0.767 0.938 0.875 CB 1.337 26 residues pruned to eliminate duplicates Z: 15 17.165 1.847 0.476 0.765 1.000 0.857 CB 1.331 15 residues pruned to eliminate duplicates Z: 16 20.939 1.935 0.867 0.678 0.867 0.667 CB 1.466 19 residues pruned to eliminate duplicates Z: 14 18.375 1.900 0.464 0.858 1.000 0.923 CB 1.349 14 residues pruned to eliminate duplicates Z: 18 18.759 1.938 0.483 0.697 1.000 0.765 CB 1.323 22 residues pruned to eliminate duplicates Z: 14 22.059 1.947 0.597 0.902 1.000 0.923 CB 1.403 14 residues pruned to eliminate duplicates Z: 24 15.394 1.869 0.440 0.517 0.870 0.783 CB 1.349 24 residues pruned to eliminate duplicates Z: 19 23.113 2.000 0.530 0.679 1.000 0.778 CB 1.510 18 residues pruned to eliminate duplicates Z: 14 20.549 1.913 0.613 0.868 1.000 0.846 CB 1.350 15 residues pruned to eliminate duplicates Z: 15 20.733 1.869 0.798 0.878 1.000 1.000 CB 1.197 14 residues pruned to eliminate duplicates Z: 15 20.171 1.883 0.523 0.915 1.000 1.000 CB 1.329 15 residues pruned to eliminate duplicates Z: 14 21.077 1.893 0.640 0.871 1.000 1.000 CB 1.373 14 residues pruned to eliminate duplicates Z: 18 11.590 1.852 0.408 0.550 0.824 0.471 CB 1.246 18 residues pruned to eliminate duplicates Z: 7 5.506 1.545 0.290 0.609 0.833 0.500 CB 1.220 7 residues pruned to eliminate duplicates Z: 7 2.471 1.796 0.466 0.340 0.667 0.167 CB 0.685 7 residues pruned to eliminate duplicates Z: 8 4.910 1.663 0.740 0.202 0.714 0.000 CB 1.280 12 residues pruned to eliminate duplicates Z: 15 14.499 1.999 0.440 0.714 0.857 0.500 CB 1.294 15 residues pruned to eliminate duplicates Z: 16 14.594 1.988 0.594 0.650 0.733 0.467 N 1.410 16 residues pruned to eliminate duplicates Z: 17 18.436 1.947 0.653 0.657 0.938 0.438 CB 1.320 17 residues pruned to eliminate duplicates Z: 16 18.805 1.895 0.736 0.778 0.867 0.600 CB 1.333 16 residues pruned to eliminate duplicates Z: 16 18.699 1.984 0.580 0.727 1.000 0.533 CB 1.255 16 residues pruned to eliminate duplicates Z: 15 18.651 2.022 0.615 0.811 0.857 0.643 CB 1.359 17 residues pruned to eliminate duplicates Z: 14 20.355 1.956 0.780 0.818 1.000 0.692 CB 1.230 14 residues pruned to eliminate duplicates Z: 12 13.411 1.989 0.360 0.838 1.000 0.727 CB 1.117 12 residues pruned to eliminate duplicates Z: 15 16.901 2.011 0.463 0.783 0.929 0.571 CB 1.290 15 residues pruned to eliminate duplicates Z: 16 16.976 1.990 0.528 0.687 1.000 0.667 CB 1.213 16 residues pruned to eliminate duplicates Z: 17 15.958 1.893 0.680 0.611 0.812 0.438 CB 1.390 17 residues pruned to eliminate duplicates Z: 18 13.913 1.880 0.588 0.645 0.882 0.294 CB 1.119 18 residues pruned to eliminate duplicates Z: 12 8.471 1.872 0.201 0.477 0.909 0.727 CB 1.279 8 residues pruned to eliminate duplicates Z: 8 7.409 1.603 0.538 0.500 1.000 0.286 CB 1.136 8 residues pruned to eliminate duplicates Z: 20 24.371 2.005 0.814 0.701 0.895 0.789 CB 1.431 20 residues pruned to eliminate duplicates Z: 25 19.733 1.947 0.647 0.554 0.958 0.750 CB 1.243 25 residues pruned to eliminate duplicates Z: 25 22.203 1.992 0.656 0.567 0.917 0.750 CB 1.405 25 residues pruned to eliminate duplicates Z: 19 23.480 1.895 0.716 0.760 0.944 0.778 CB 1.431 19 residues pruned to eliminate duplicates Z: 22 23.131 2.059 0.619 0.660 0.952 0.762 CB 1.370 22 residues pruned to eliminate duplicates Z: 23 21.282 2.008 0.523 0.672 0.909 0.727 CB 1.393 23 residues pruned to eliminate duplicates Z: 24 24.861 2.013 0.602 0.639 1.000 0.783 CB 1.412 24 residues pruned to eliminate duplicates Z: 24 23.168 2.004 0.805 0.576 0.957 0.652 CB 1.299 24 residues pruned to eliminate duplicates Z: 23 25.172 1.981 0.797 0.652 0.955 0.727 CB 1.371 21 residues pruned to eliminate duplicates Z: 15 25.385 1.951 0.859 0.890 1.000 0.714 CB 1.346 15 residues pruned to eliminate duplicates Z: 23 21.813 2.027 0.751 0.612 0.909 0.727 CB 1.296 23 residues pruned to eliminate duplicates Z: 23 23.751 2.039 0.591 0.646 1.000 0.864 CB 1.363 23 residues pruned to eliminate duplicates Z: 21 24.973 2.047 0.747 0.709 0.950 0.800 CB 1.360 21 residues pruned to eliminate duplicates Z: 23 23.156 2.049 0.647 0.617 0.955 0.864 CB 1.372 23 residues pruned to eliminate duplicates Z: 22 24.932 2.038 0.631 0.754 0.952 0.905 CB 1.371 22 residues pruned to eliminate duplicates Z: 21 24.127 2.054 0.548 0.740 0.950 0.850 CB 1.441 21 residues pruned to eliminate duplicates Z: 22 25.058 2.015 0.603 0.722 0.952 0.857 CB 1.455 22 residues pruned to eliminate duplicates Z: 6 2.221 1.644 0.290 0.100 0.800 0.600 N 0.976 6 residues pruned to eliminate duplicates Z: 19 11.487 1.773 0.751 0.469 0.833 0.722 CB 1.080 19 residues pruned to eliminate duplicates Z: 14 10.617 1.807 0.572 0.473 0.923 0.846 CB 1.154 23 residues pruned to eliminate duplicates Z: 14 10.712 1.865 0.299 0.699 0.769 0.692 CB 1.329 14 residues pruned to eliminate duplicates Z: 23 9.231 1.757 0.470 0.324 0.818 0.455 CB 1.130 11 residues pruned to eliminate duplicates Z: 14 12.422 1.717 0.401 0.809 0.923 0.692 CB 1.185 14 residues pruned to eliminate duplicates Z: 13 8.860 1.783 0.256 0.424 0.917 0.417 N 1.348 13 residues pruned to eliminate duplicates Z: 13 8.630 1.811 0.424 0.496 0.750 0.500 N 1.293 13 residues pruned to eliminate duplicates Z: 17 11.221 1.751 0.549 0.569 0.812 0.562 N 1.191 17 residues pruned to eliminate duplicates Z: 12 7.912 1.844 0.383 0.476 0.727 0.273 CB 1.318 12 residues pruned to eliminate duplicates Z: 14 10.644 1.831 0.604 0.665 0.769 0.538 CB 1.121 14 residues pruned to eliminate duplicates Z: 24 14.355 1.872 0.637 0.541 0.783 0.565 CB 1.199 7 residues pruned to eliminate duplicates Z: 14 15.837 1.764 0.889 0.781 0.769 0.615 CB 1.337 14 residues pruned to eliminate duplicates Z: 12 14.590 1.920 0.803 0.732 0.909 0.545 CB 1.134 12 residues pruned to eliminate duplicates Z: 13 17.722 1.872 0.904 0.757 0.833 0.750 CB 1.370 15 residues pruned to eliminate duplicates Z: 15 17.084 1.796 0.870 0.793 0.786 0.571 CB 1.338 14 residues pruned to eliminate duplicates Z: 14 21.787 1.823 0.927 0.823 0.923 0.538 CB 1.409 14 residues pruned to eliminate duplicates Z: 7 9.271 1.761 0.620 0.828 1.000 0.500 CB 0.999 7 residues pruned to eliminate duplicates Z: 9 7.004 1.728 1.010 0.498 0.625 0.250 CB 1.143 9 residues pruned to eliminate duplicates Z: 13 7.485 1.778 0.327 0.535 0.750 0.417 CB 1.180 13 residues pruned to eliminate duplicates Z: 31 18.247 1.844 0.503 0.590 0.900 0.667 CB 1.226 31 residues pruned to eliminate duplicates Z: 13 12.633 1.881 0.545 0.621 0.833 0.500 CB 1.343 19 residues pruned to eliminate duplicates Z: 19 20.327 1.913 0.347 0.858 0.944 0.833 CB 1.450 19 residues pruned to eliminate duplicates Z: 21 16.404 1.864 0.451 0.662 0.850 0.450 CB 1.374 21 residues pruned to eliminate duplicates Z: 22 19.350 1.870 0.533 0.712 0.857 0.524 CB 1.417 22 residues pruned to eliminate duplicates Z: 27 16.648 1.867 0.529 0.682 0.731 0.462 CB 1.324 27 residues pruned to eliminate duplicates Z: 27 24.174 1.912 0.550 0.707 0.962 0.692 CB 1.378 27 residues pruned to eliminate duplicates Z: 23 17.963 1.908 0.572 0.707 0.773 0.591 CB 1.369 23 residues pruned to eliminate duplicates Z: 14 11.783 1.705 0.813 0.603 0.846 0.462 CB 1.133 14 residues pruned to eliminate duplicates Z: 17 17.451 1.953 0.634 0.607 0.875 0.625 CB 1.412 17 residues pruned to eliminate duplicates Z: 17 16.931 1.947 0.678 0.611 0.875 0.562 CB 1.332 17 residues pruned to eliminate duplicates Z: 17 15.919 1.934 0.536 0.673 0.812 0.562 CB 1.406 17 residues pruned to eliminate duplicates Z: 16 18.473 1.945 0.551 0.701 0.933 0.533 CB 1.410 16 residues pruned to eliminate duplicates Z: 16 17.104 1.973 0.295 0.708 0.933 0.667 CB 1.533 16 residues pruned to eliminate duplicates Z: 20 18.372 1.841 0.517 0.672 0.895 0.632 CB 1.439 20 residues pruned to eliminate duplicates Z: 16 20.531 1.985 0.541 0.693 1.000 0.733 CB 1.453 16 residues pruned to eliminate duplicates Z: 24 20.362 1.958 0.716 0.579 0.870 0.565 CB 1.346 24 residues pruned to eliminate duplicates Z: 29 21.968 1.984 0.633 0.598 0.857 0.714 CB 1.361 29 residues pruned to eliminate duplicates Z: 25 21.271 1.890 0.641 0.637 0.917 0.667 CB 1.343 25 residues pruned to eliminate duplicates Z: 24 21.915 1.952 0.671 0.628 0.913 0.696 CB 1.360 24 residues pruned to eliminate duplicates Z: 8 9.569 1.937 0.537 0.594 0.857 0.857 CB 1.296 8 residues pruned to eliminate duplicates Z: 8 10.833 1.913 0.534 0.674 0.857 0.857 CB 1.387 8 residues pruned to eliminate duplicates Z: 31 17.466 1.844 0.714 0.535 0.800 0.567 CB 1.218 31 residues pruned to eliminate duplicates Z: 9 7.943 1.777 0.834 0.524 0.750 0.750 CB 1.123 9 residues pruned to eliminate duplicates Z: 23 18.411 1.832 0.871 0.539 0.864 0.636 CB 1.276 23 residues pruned to eliminate duplicates Z: 25 16.153 1.916 0.467 0.577 0.833 0.667 CB 1.307 25 residues pruned to eliminate duplicates Z: 16 11.497 1.969 0.307 0.403 0.867 0.667 CB 1.474 16 residues pruned to eliminate duplicates Z: 18 12.517 1.917 0.452 0.402 1.000 0.588 CB 1.210 24 residues pruned to eliminate duplicates Z: 7 9.210 2.199 0.320 0.484 1.000 0.167 CB 1.316 7 residues pruned to eliminate duplicates Z: 16 12.820 2.028 0.435 0.446 0.933 0.600 CB 1.288 16 residues pruned to eliminate duplicates Z: 29 19.811 1.958 0.444 0.561 0.964 0.821 CB 1.294 29 residues pruned to eliminate duplicates Z: 16 14.635 2.010 0.495 0.479 1.000 0.533 CB 1.284 24 residues pruned to eliminate duplicates Z: 17 14.467 1.857 0.389 0.764 1.000 0.688 CB 1.109 17 residues pruned to eliminate duplicates Z: 29 24.562 2.013 0.570 0.612 0.964 0.643 CB 1.369 46 residues pruned to eliminate duplicates Z: 10 12.369 1.827 0.573 0.758 1.000 0.556 CB 1.141 10 residues pruned to eliminate duplicates Z: 17 15.418 1.901 0.677 0.785 0.875 0.625 CB 1.075 17 residues pruned to eliminate duplicates Z: 18 12.023 1.841 0.486 0.702 0.941 0.588 CB 0.942 18 residues pruned to eliminate duplicates Z: 16 20.827 1.974 0.628 0.881 0.933 0.800 CB 1.299 16 residues pruned to eliminate duplicates Z: 17 17.563 1.884 0.810 0.698 0.875 0.562 CB 1.229 17 residues pruned to eliminate duplicates Z: 22 13.411 1.825 0.736 0.623 0.857 0.524 CB 0.960 22 residues pruned to eliminate duplicates Z: 17 15.371 1.879 0.631 0.733 0.938 0.625 CB 1.085 17 residues pruned to eliminate duplicates Z: 17 16.119 1.877 1.031 0.727 0.938 0.500 CB 0.919 17 residues pruned to eliminate duplicates Z: 37 23.057 1.935 0.648 0.557 0.972 0.722 CB 1.173 35 residues pruned to eliminate duplicates Z: 17 16.020 1.897 0.587 0.740 0.938 0.750 CB 1.144 17 residues pruned to eliminate duplicates Z: 17 19.620 1.907 0.615 0.766 0.938 0.688 CB 1.341 17 residues pruned to eliminate duplicates Z: 8 5.061 1.612 0.695 0.483 0.714 0.571 CB 0.997 7 residues pruned to eliminate duplicates Z: 17 21.798 1.862 0.695 0.870 1.000 0.812 CB 1.260 18 residues pruned to eliminate duplicates Z: 18 19.245 1.823 0.992 0.861 0.941 0.765 CB 1.003 18 residues pruned to eliminate duplicates Z: 11 10.561 2.002 0.497 0.303 0.900 0.400 CB 1.542 17 residues pruned to eliminate duplicates Z: 22 8.238 1.932 0.337 0.238 0.762 0.333 CB 1.238 22 residues pruned to eliminate duplicates Z: 35 15.712 1.978 0.421 0.341 0.824 0.471 CB 1.384 35 residues pruned to eliminate duplicates Z: 15 9.254 2.041 0.281 0.319 0.929 0.643 CB 1.244 15 residues pruned to eliminate duplicates Z: 24 10.124 1.930 0.305 0.259 0.826 0.478 CB 1.337 24 residues pruned to eliminate duplicates Z: 40 17.060 1.920 0.379 0.387 0.923 0.538 CB 1.260 40 residues pruned to eliminate duplicates Z: 10 5.627 1.912 0.332 0.173 0.778 0.222 O 1.406 10 residues pruned to eliminate duplicates Z: 31 10.330 1.898 0.321 0.244 0.800 0.500 CB 1.265 31 residues pruned to eliminate duplicates Z: 27 10.497 1.851 0.423 0.243 0.846 0.538 CB 1.243 27 residues pruned to eliminate duplicates Z: 25 10.671 1.952 0.372 0.320 0.833 0.500 CB 1.190 27 residues pruned to eliminate duplicates Z: 18 21.608 1.728 0.707 0.728 1.000 0.941 N 1.447 18 residues pruned to eliminate duplicates Z: 25 16.900 1.925 0.395 0.521 0.917 0.500 CB 1.373 25 residues pruned to eliminate duplicates Z: 38 19.672 2.008 0.398 0.453 0.973 0.703 CB 1.243 36 residues pruned to eliminate duplicates Z: 14 22.265 1.814 0.705 0.881 1.000 1.000 N 1.445 13 residues pruned to eliminate duplicates Z: 15 21.333 1.740 0.683 0.833 1.000 0.929 N 1.462 15 residues pruned to eliminate duplicates Z: 22 20.344 1.991 0.570 0.578 0.905 0.619 CB 1.457 22 residues pruned to eliminate duplicates Z: 31 18.498 1.969 0.516 0.423 0.800 0.600 CB 1.532 31 residues pruned to eliminate duplicates Z: 38 21.168 1.970 0.488 0.462 0.946 0.703 CB 1.304 38 residues pruned to eliminate duplicates Z: 14 23.719 1.887 0.755 0.855 1.000 0.846 CB 1.466 14 residues pruned to eliminate duplicates Z: 14 25.653 1.869 0.940 0.850 1.000 0.692 CB 1.454 13 residues pruned to eliminate duplicates Z: 13 21.977 1.874 1.083 0.816 0.833 0.750 N 1.481 13 residues pruned to eliminate duplicates Z: 35 18.009 2.014 0.422 0.435 0.853 0.647 CB 1.352 35 residues pruned to eliminate duplicates Z: 37 21.723 1.994 0.523 0.421 0.944 0.611 CB 1.371 37 residues pruned to eliminate duplicates Z: 34 19.904 1.965 0.542 0.447 0.879 0.697 CB 1.374 34 residues pruned to eliminate duplicates Z: 36 21.374 1.974 0.539 0.482 0.857 0.600 CB 1.414 25 residues pruned to eliminate duplicates Z: 9 5.245 1.584 0.286 0.565 1.000 0.750 CB 0.855 Z: 10 12.991 1.823 0.506 0.796 0.889 0.667 CB 1.369 10 residues pruned to eliminate duplicates Z: 11 13.291 1.738 0.129 0.879 1.000 0.700 CB 1.553 11 residues pruned to eliminate duplicates Z: 13 11.758 1.689 0.486 0.694 0.917 0.833 CB 1.236 13 residues pruned to eliminate duplicates Z: 16 17.471 1.909 0.468 0.842 0.933 0.867 CB 1.285 16 residues pruned to eliminate duplicates Z: 26 18.770 1.951 0.448 0.525 0.920 0.560 CB 1.409 26 residues pruned to eliminate duplicates Z: 20 11.819 1.818 0.599 0.623 0.842 0.579 CB 0.986 20 residues pruned to eliminate duplicates Z: 17 21.141 1.999 0.440 0.871 0.938 0.625 CB 1.429 17 residues pruned to eliminate duplicates Z: 27 18.010 1.918 0.450 0.700 0.885 0.654 CB 1.196 27 residues pruned to eliminate duplicates Z: 28 17.695 1.806 0.562 0.554 0.815 0.444 CB 1.406 28 residues pruned to eliminate duplicates Z: 18 21.391 1.930 0.518 0.844 1.000 0.706 CB 1.317 18 residues pruned to eliminate duplicates Z: 17 19.704 1.988 0.314 0.882 0.938 0.875 CB 1.456 17 residues pruned to eliminate duplicates Z: 17 21.594 2.018 0.480 0.873 0.938 0.875 CB 1.404 17 residues pruned to eliminate duplicates Z: 17 23.329 1.997 0.550 0.887 0.938 0.688 CB 1.449 17 residues pruned to eliminate duplicates Z: 25 17.877 1.873 0.566 0.641 0.833 0.625 CB 1.309 25 residues pruned to eliminate duplicates Z: 16 24.003 2.033 0.560 0.899 1.000 0.733 CB 1.397 16 residues pruned to eliminate duplicates Z: 20 21.659 1.887 0.552 0.798 0.947 0.632 CB 1.380 20 residues pruned to eliminate duplicates Z: 28 18.820 1.915 0.394 0.628 0.963 0.556 CB 1.249 28 residues pruned to eliminate duplicates Z: 18 16.762 1.919 0.462 0.836 0.882 0.706 CB 1.229 18 residues pruned to eliminate duplicates Z: 11 7.966 1.958 0.353 0.321 0.900 0.400 CB 1.287 11 residues pruned to eliminate duplicates Z: 8 6.025 1.949 0.233 0.276 0.857 0.286 N 1.426 Z: 6 5.591 1.808 0.427 0.281 1.000 0.200 CA 1.241 6 residues pruned to eliminate duplicates Z: 12 7.500 1.938 0.362 0.366 0.818 0.455 CB 1.209 12 residues pruned to eliminate duplicates Z: 17 11.813 1.865 0.215 0.536 0.875 0.625 CB 1.438 25 residues pruned to eliminate duplicates Z: 19 13.723 1.893 0.668 0.509 0.778 0.556 CB 1.306 19 residues pruned to eliminate duplicates Z: 15 15.237 1.819 0.479 0.543 1.000 0.714 N 1.452 15 residues pruned to eliminate duplicates Z: 67 26.101 1.890 0.518 0.489 0.894 0.576 CB 1.266 88 residues pruned to eliminate duplicates Z: 8 6.051 1.689 0.364 0.537 1.000 0.714 CB 0.958 8 residues pruned to eliminate duplicates Z: 11 10.609 1.828 0.774 0.611 0.800 0.600 CB 1.164 11 residues pruned to eliminate duplicates Z: 18 19.589 1.901 0.789 0.562 0.941 0.765 CB 1.398 18 residues pruned to eliminate duplicates Z: 29 21.602 1.911 0.645 0.607 0.857 0.607 CB 1.368 29 residues pruned to eliminate duplicates Z: 23 21.008 1.879 0.631 0.638 0.955 0.591 CB 1.346 23 residues pruned to eliminate duplicates Z: 35 22.539 1.751 0.821 0.546 0.912 0.500 CB 1.271 35 residues pruned to eliminate duplicates Z: 49 25.949 1.860 0.568 0.607 0.875 0.625 CB 1.325 49 residues pruned to eliminate duplicates Z: 25 20.282 1.828 0.742 0.587 0.875 0.667 CB 1.367 25 residues pruned to eliminate duplicates Z: 25 24.912 1.873 0.686 0.655 0.958 0.500 CB 1.455 25 residues pruned to eliminate duplicates Z: 40 34.814 1.957 0.759 0.749 0.974 0.795 CB 1.331 39 residues pruned to eliminate duplicates Z: 15 25.077 1.894 0.766 0.868 1.000 0.786 CB 1.464 13 residues pruned to eliminate duplicates Z: 14 26.148 1.915 0.708 0.912 1.000 0.846 CB 1.571 14 residues pruned to eliminate duplicates Z: 28 22.764 1.863 0.622 0.623 0.926 0.593 CB 1.394 28 residues pruned to eliminate duplicates Z: 24 21.657 1.875 0.577 0.688 0.913 0.565 CB 1.407 24 residues pruned to eliminate duplicates Z: 43 29.167 1.902 0.571 0.631 0.881 0.690 CB 1.511 43 residues pruned to eliminate duplicates Z: 40 22.562 1.889 0.491 0.545 0.872 0.564 CB 1.408 35 residues pruned to eliminate duplicates Z: 8 6.380 1.853 0.411 0.510 0.714 0.286 CB 1.279 8 residues pruned to eliminate duplicates Z: 7 7.001 1.993 0.937 0.451 0.667 0.500 CB 1.168 7 residues pruned to eliminate duplicates Z: 6 6.512 2.108 0.226 0.529 0.800 0.600 CB 1.369 6 residues pruned to eliminate duplicates Z: 12 7.287 2.017 0.432 0.302 0.727 0.636 CB 1.305 21 residues pruned to eliminate duplicates Z: 27 16.246 1.782 0.414 0.693 0.923 0.500 CB 1.149 26 residues pruned to eliminate duplicates Z: 26 19.290 1.807 0.745 0.702 0.960 0.480 CB 1.060 26 residues pruned to eliminate duplicates Z: 19 15.840 1.859 0.406 0.864 0.944 0.722 CB 1.109 19 residues pruned to eliminate duplicates Z: 19 10.310 1.926 0.549 0.390 0.778 0.333 CB 1.177 19 residues pruned to eliminate duplicates Z: 10 4.772 1.722 0.270 0.316 0.778 0.111 CB 1.146 10 residues pruned to eliminate duplicates Z: 15 14.286 1.948 0.515 0.711 1.000 0.714 CB 1.068 15 residues pruned to eliminate duplicates Z: 18 16.493 1.989 0.427 0.819 0.941 0.706 CB 1.135 18 residues pruned to eliminate duplicates Z: 27 12.718 1.862 0.396 0.553 0.808 0.500 CB 1.129 27 residues pruned to eliminate duplicates Z: 16 15.041 1.902 0.808 0.640 0.800 0.400 CB 1.239 16 residues pruned to eliminate duplicates Z: 15 15.735 1.981 0.587 0.708 0.857 0.643 CB 1.292 15 residues pruned to eliminate duplicates Z: 15 13.079 1.916 0.299 0.709 0.857 0.643 CB 1.355 15 residues pruned to eliminate duplicates Z: 23 17.590 1.925 0.504 0.664 0.909 0.682 CB 1.225 23 residues pruned to eliminate duplicates Z: 19 11.940 1.875 0.401 0.582 0.833 0.444 CB 1.187 19 residues pruned to eliminate duplicates Z: 15 14.206 1.866 0.505 0.789 0.929 0.643 CB 1.130 15 residues pruned to eliminate duplicates Z: 20 16.067 1.934 0.360 0.767 0.895 0.737 CB 1.236 20 residues pruned to eliminate duplicates Z: 21 15.759 1.889 0.563 0.685 0.950 0.650 CB 1.060 21 residues pruned to eliminate duplicates Z: 22 15.595 1.882 0.499 0.699 0.905 0.571 CB 1.112 22 residues pruned to eliminate duplicates Z: 29 16.472 1.859 0.551 0.591 0.857 0.571 CB 1.154 29 residues pruned to eliminate duplicates Z: 12 8.116 1.845 0.478 0.509 0.909 0.455 CB 0.979 14 residues pruned to eliminate duplicates Z: 19 17.737 1.852 0.467 0.822 0.944 0.833 CB 1.233 19 residues pruned to eliminate duplicates Z: 25 19.564 1.922 0.556 0.699 0.958 0.625 CB 1.163 25 residues pruned to eliminate duplicates Z: 33 19.103 1.925 0.477 0.610 0.938 0.531 CB 1.141 33 residues pruned to eliminate duplicates Z: 9 4.721 1.603 0.354 0.390 0.875 0.375 O 0.988 9 residues pruned to eliminate duplicates Z: 32 22.823 1.934 0.618 0.653 0.968 0.613 CB 1.174 32 residues pruned to eliminate duplicates Z: 25 12.840 1.855 0.320 0.556 0.875 0.708 CB 1.159 25 residues pruned to eliminate duplicates Z: 9 4.946 1.807 0.339 0.610 0.875 0.750 CB 0.744 9 residues pruned to eliminate duplicates Z: 14 8.783 1.769 0.442 0.466 0.846 0.692 CB 1.168 14 residues pruned to eliminate duplicates Z: 11 8.024 1.746 0.354 0.532 0.900 0.500 CB 1.156 9 residues pruned to eliminate duplicates Z: 9 7.407 1.729 0.616 0.700 0.875 0.500 CB 0.892 9 residues pruned to eliminate duplicates Z: 13 6.650 1.716 0.588 0.444 0.750 0.333 CB 0.995 11 residues pruned to eliminate duplicates Z: 8 5.976 1.840 0.154 0.729 0.857 0.857 CB 1.010 9 residues pruned to eliminate duplicates Z: 8 7.649 1.842 0.468 0.718 0.857 0.714 CB 1.024 8 residues pruned to eliminate duplicates Z: 8 9.077 1.785 0.625 0.608 0.857 0.429 CB 1.246 9 residues pruned to eliminate duplicates Z: 6 11.082 1.860 0.939 0.775 1.000 0.200 N 1.078 12 residues pruned to eliminate duplicates Z: 11 9.084 1.786 0.593 0.660 0.800 0.400 CB 1.088 9 residues pruned to eliminate duplicates Z: 10 12.405 1.703 0.592 0.667 1.000 0.333 CB 1.306 10 residues pruned to eliminate duplicates 6 1.795 1.332 0.433 0.317 1.000 0.400 N 0.515 ? Z: 6 4.123 1.759 0.411 0.231 1.000 0.200 N 1.017 3 residues pruned to eliminate duplicates 459 residues left after pruning, divided into chains as follows: A: 19 B: 7 C: 7 D: 9 E: 11 F: 8 G: 9 H: 11 I: 9 J: 18 K: 9 L: 18 M: 16 N: 23 O: 16 P: 19 Q: 16 R: 29 S: 26 T: 47 U: 119 V: 13 CC for partial structure against native data = 31.87 % ------------------------------------------------------------------------------ Global autotracing cycle 5 = 0.300, Contrast = 0.601, Connect. = 0.669 for dens.mod. cycle 1 = 0.300, Contrast = 0.708, Connect. = 0.706 for dens.mod. cycle 2 = 0.300, Contrast = 0.824, Connect. = 0.738 for dens.mod. cycle 3 = 0.300, Contrast = 0.842, Connect. = 0.742 for dens.mod. cycle 4 = 0.300, Contrast = 0.855, Connect. = 0.745 for dens.mod. cycle 5 = 0.300, Contrast = 0.859, Connect. = 0.748 for dens.mod. cycle 6 = 0.300, Contrast = 0.862, Connect. = 0.749 for dens.mod. cycle 7 = 0.300, Contrast = 0.861, Connect. = 0.751 for dens.mod. cycle 8 = 0.300, Contrast = 0.860, Connect. = 0.751 for dens.mod. cycle 9 = 0.300, Contrast = 0.858, Connect. = 0.752 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2807 peaks > 0.5 sigma used to seed fragment search Space for about 1287 unique residues taking solvent into account 548 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 9 7.781 1.778 0.547 0.701 0.875 0.500 CB 0.952 B: 13 14.148 2.070 0.663 0.797 0.917 0.667 CB 0.997 9 residues pruned to eliminate duplicates C: 13 13.444 1.895 0.173 0.874 0.917 0.833 CB 1.387 D: 12 14.151 1.935 0.517 0.868 1.000 1.000 CB 1.063 14 residues pruned to eliminate duplicates E: 8 13.440 1.778 0.695 0.813 1.000 0.714 O 1.284 F: 18 8.850 1.795 0.695 0.370 0.706 0.412 CB 1.149 G: 13 12.614 1.837 0.751 0.702 0.750 0.667 N 1.256 H: 38 23.301 1.867 0.697 0.618 0.865 0.541 CB 1.251 I: 11 12.265 1.907 0.374 0.783 0.900 0.800 CB 1.282 11 residues pruned to eliminate duplicates J: 20 19.193 1.755 0.482 0.863 1.000 0.842 CB 1.242 K: 15 29.326 1.991 0.675 0.934 1.000 1.000 CB 1.639 L: 17 21.820 1.925 0.391 0.940 1.000 0.938 CB 1.415 19 residues pruned to eliminate duplicates M: 13 10.500 1.915 0.147 0.825 0.917 0.750 CB 1.136 13 residues pruned to eliminate duplicates N: 6 6.767 1.861 0.179 0.746 1.000 0.400 CB 1.107 O: 10 6.439 1.646 0.751 0.418 0.778 0.333 N 1.043 P: 19 22.848 1.780 0.600 0.913 1.000 0.778 CB 1.339 18 residues pruned to eliminate duplicates Q: 18 16.174 1.859 0.147 0.876 1.000 0.882 CB 1.337 18 residues pruned to eliminate duplicates R: 6 7.413 1.580 0.495 0.853 1.000 0.800 N 1.037 S: 22 22.587 2.047 0.540 0.696 0.905 0.762 CB 1.445 15 residues pruned to eliminate duplicates T: 8 4.173 1.679 0.811 0.364 0.571 0.429 CB 1.051 U: 18 15.923 1.903 0.447 0.863 0.941 0.765 CB 1.093 V: 11 9.613 1.872 0.490 0.518 0.700 0.700 CB 1.529 W: 12 11.364 1.941 0.412 0.871 0.818 0.636 CB 1.114 13 residues pruned to eliminate duplicates X: 20 18.916 1.817 0.819 0.818 0.947 0.737 CB 1.052 18 residues pruned to eliminate duplicates Y: 12 17.280 1.927 1.047 0.787 0.909 0.636 CB 1.129 12 residues pruned to eliminate duplicates Z: 15 23.677 1.891 0.483 0.898 1.000 0.857 CB 1.614 15 residues pruned to eliminate duplicates Z: 14 27.189 2.045 0.572 0.930 1.000 1.000 CB 1.641 14 residues pruned to eliminate duplicates Z: 12 6.321 1.737 0.298 0.450 0.727 0.636 N 1.224 6 residues pruned to eliminate duplicates Z: 9 10.486 2.054 0.255 0.586 0.875 0.750 CB 1.513 9 residues pruned to eliminate duplicates Z: 11 14.807 1.996 0.460 0.907 1.000 1.000 CB 1.142 7 residues pruned to eliminate duplicates Z: 19 13.909 1.804 0.246 0.850 1.000 0.944 CB 1.080 19 residues pruned to eliminate duplicates Z: 6 8.237 1.772 0.615 0.849 1.000 0.600 CB 0.954 Z: 6 7.810 1.932 0.336 0.757 0.800 0.800 CB 1.346 6 residues pruned to eliminate duplicates Z: 15 16.568 1.986 0.679 0.600 0.857 0.643 CB 1.408 Z: 10 16.820 1.858 0.669 0.801 1.000 0.667 CB 1.390 9 residues pruned to eliminate duplicates Z: 13 9.816 1.912 0.486 0.484 0.917 0.500 CB 1.106 Z: 20 17.930 1.783 0.502 0.830 0.842 0.737 CB 1.372 15 residues pruned to eliminate duplicates Z: 16 17.520 1.759 0.498 0.860 1.000 0.867 O 1.262 Z: 8 7.238 1.708 0.327 0.825 0.714 0.714 N 1.276 7 residues pruned to eliminate duplicates Z: 26 20.121 1.942 0.714 0.521 0.920 0.520 CB 1.288 26 residues pruned to eliminate duplicates Z: 12 5.421 1.733 0.499 0.301 0.727 0.455 CB 1.079 Z: 28 22.412 1.950 0.554 0.614 0.963 0.889 CB 1.327 22 residues pruned to eliminate duplicates Z: 16 20.377 1.874 0.900 0.804 0.867 0.667 CB 1.307 16 residues pruned to eliminate duplicates Z: 14 23.856 2.021 0.642 0.901 0.923 0.692 CB 1.541 14 residues pruned to eliminate duplicates Z: 6 2.483 1.282 0.215 0.787 1.000 0.400 CB 0.554 Z: 6 5.669 1.743 0.281 0.476 0.800 0.400 N 1.453 Z: 18 27.473 1.931 0.678 0.934 1.000 0.941 CB 1.434 Z: 8 6.983 1.783 0.025 0.824 0.857 0.571 CB 1.273 Z: 8 10.920 1.896 0.662 0.848 0.857 0.714 CB 1.134 8 residues pruned to eliminate duplicates Z: 6 11.795 1.942 0.998 0.835 0.800 0.800 CB 1.273 6 residues pruned to eliminate duplicates Z: 7 12.144 1.792 0.707 0.661 1.000 0.667 CA 1.396 Z: 19 15.124 1.820 0.959 0.847 0.889 0.500 CB 0.836 19 residues pruned to eliminate duplicates Z: 15 25.519 1.878 0.842 0.845 1.000 0.714 CB 1.466 16 residues pruned to eliminate duplicates Z: 22 21.523 2.032 0.488 0.661 0.952 0.810 CB 1.405 28 residues pruned to eliminate duplicates Z: 14 20.571 1.924 0.669 0.889 1.000 0.769 CB 1.278 12 residues pruned to eliminate duplicates Z: 6 16.972 1.912 0.796 0.860 1.000 0.800 CB 1.624 7 residues pruned to eliminate duplicates Z: 12 18.124 1.941 0.762 0.831 0.909 0.636 CB 1.320 12 residues pruned to eliminate duplicates Z: 7 3.142 1.617 0.819 0.632 1.000 0.667 CB 0.385 Z: 15 21.878 1.753 0.848 0.841 0.929 0.714 CB 1.450 15 residues pruned to eliminate duplicates Z: 6 4.527 1.502 0.359 0.710 1.000 0.600 CB 0.819 Z: 10 11.312 1.934 0.495 0.570 1.000 0.667 CB 1.219 Z: 10 3.529 1.636 0.357 0.272 0.667 0.444 N 1.029 10 residues pruned to eliminate duplicates Z: 10 3.817 1.683 0.246 0.260 0.667 0.444 N 1.198 Z: 14 6.615 1.720 0.421 0.356 0.846 0.615 CB 1.037 14 residues pruned to eliminate duplicates Z: 16 19.259 1.833 0.714 0.830 0.933 0.867 CB 1.275 12 residues pruned to eliminate duplicates 6 1.805 1.496 0.207 0.432 1.000 0.600 CB 0.479 ? Z: 14 13.288 1.697 0.423 0.872 1.000 0.769 CB 1.112 Z: 18 12.167 1.750 0.502 0.730 0.882 0.647 CB 1.034 16 residues pruned to eliminate duplicates Z: 12 6.335 1.617 0.316 0.463 0.818 0.455 CB 1.139 Z: 13 20.589 1.950 0.549 0.936 1.000 1.000 CB 1.370 13 residues pruned to eliminate duplicates Z: 17 19.220 1.818 0.591 0.878 1.000 0.688 CB 1.206 17 residues pruned to eliminate duplicates Z: 20 17.823 1.885 0.335 0.758 0.895 0.684 CB 1.444 20 residues pruned to eliminate duplicates Z: 6 5.639 1.668 0.220 0.781 1.000 0.800 CB 0.967 6 residues pruned to eliminate duplicates Z: 18 6.671 1.647 0.733 0.381 0.647 0.235 CB 0.995 11 residues pruned to eliminate duplicates Z: 17 14.931 1.795 0.929 0.810 0.875 0.250 CB 0.941 17 residues pruned to eliminate duplicates Z: 15 20.715 1.864 0.583 0.837 1.000 0.786 CB 1.403 15 residues pruned to eliminate duplicates Z: 18 20.442 1.901 0.432 0.848 0.941 0.824 CB 1.436 18 residues pruned to eliminate duplicates Z: 19 25.220 1.802 0.634 0.907 1.000 0.944 CB 1.435 19 residues pruned to eliminate duplicates Z: 18 5.959 1.796 0.545 0.294 0.765 0.588 CB 0.858 Z: 10 9.070 1.796 0.621 0.496 0.889 0.889 CB 1.173 Z: 10 7.890 1.639 0.737 0.464 1.000 0.778 CB 0.958 11 residues pruned to eliminate duplicates Z: 22 12.627 1.884 0.574 0.297 0.905 0.619 CB 1.288 20 residues pruned to eliminate duplicates Z: 6 9.028 1.625 0.641 0.684 1.000 0.600 CA 1.278 Z: 16 14.214 1.794 0.815 0.848 0.933 0.600 CB 0.896 16 residues pruned to eliminate duplicates Z: 11 5.902 1.713 0.414 0.198 0.800 0.200 CB 1.380 Z: 11 11.519 1.908 0.257 0.714 1.000 0.600 CB 1.250 11 residues pruned to eliminate duplicates Z: 11 6.468 1.763 0.303 0.431 0.900 0.600 CB 1.062 Z: 14 26.130 2.019 0.800 0.913 0.923 0.846 CB 1.529 14 residues pruned to eliminate duplicates Z: 13 16.052 1.688 0.773 0.896 1.000 0.917 CB 1.109 Z: 6 5.923 1.672 0.777 0.716 1.000 0.600 CB 0.733 Z: 19 6.993 1.774 0.562 0.248 0.944 0.222 CB 0.842 10 residues pruned to eliminate duplicates Z: 16 17.515 2.073 0.639 0.572 0.933 0.733 CB 1.329 25 residues pruned to eliminate duplicates Z: 7 6.672 1.489 0.287 0.628 1.000 0.667 CA 1.260 7 residues pruned to eliminate duplicates Z: 11 2.400 1.540 0.466 0.236 0.600 0.300 CB 0.761 Z: 11 14.304 1.749 0.519 0.918 1.000 0.900 CB 1.200 12 residues pruned to eliminate duplicates Z: 10 10.920 1.802 0.475 0.790 0.889 0.778 CB 1.194 10 residues pruned to eliminate duplicates Z: 7 7.853 1.560 0.770 0.677 0.833 0.667 CB 1.184 Z: 14 12.424 1.867 0.321 0.656 0.923 0.615 CB 1.310 14 residues pruned to eliminate duplicates Z: 33 19.506 1.828 0.585 0.512 0.844 0.438 CB 1.393 22 residues pruned to eliminate duplicates Z: 9 9.422 1.570 0.749 0.731 0.875 0.750 CA 1.127 Z: 8 5.093 1.642 0.444 0.314 0.857 0.429 CB 1.164 7 residues pruned to eliminate duplicates Z: 16 22.786 1.813 0.823 0.809 0.933 0.733 CB 1.458 16 residues pruned to eliminate duplicates Z: 14 17.868 1.890 0.485 0.875 1.000 1.000 CB 1.285 14 residues pruned to eliminate duplicates Z: 7 8.972 1.813 0.511 0.596 0.833 0.833 O 1.464 7 residues pruned to eliminate duplicates Z: 15 24.412 1.939 0.589 0.910 1.000 1.000 CB 1.502 15 residues pruned to eliminate duplicates Z: 27 16.978 1.881 0.235 0.712 0.923 0.769 CB 1.281 24 residues pruned to eliminate duplicates Z: 24 7.155 1.548 0.464 0.399 0.652 0.522 CB 1.123 24 residues pruned to eliminate duplicates Z: 20 21.906 1.836 0.707 0.853 0.895 0.789 CB 1.325 20 residues pruned to eliminate duplicates Z: 19 7.549 1.945 0.296 0.329 0.667 0.500 CB 1.277 19 residues pruned to eliminate duplicates Z: 9 5.941 1.752 0.434 0.422 0.750 0.500 CB 1.209 9 residues pruned to eliminate duplicates Z: 17 26.791 1.948 0.668 0.870 1.000 0.938 CB 1.505 17 residues pruned to eliminate duplicates Z: 13 3.725 1.557 0.294 0.346 0.750 0.417 CB 0.841 Z: 10 3.524 1.691 0.484 0.202 0.556 0.444 CB 1.200 10 residues pruned to eliminate duplicates Z: 13 17.482 1.931 0.329 0.854 1.000 0.917 CB 1.452 13 residues pruned to eliminate duplicates Z: 11 4.480 1.725 -0.006 0.189 0.900 0.400 O 1.334 11 residues pruned to eliminate duplicates Z: 11 5.852 1.648 0.601 0.763 0.900 0.700 CB 0.617 9 residues pruned to eliminate duplicates Z: 7 3.960 1.479 -0.012 0.866 1.000 0.667 CB 0.810 Z: 7 3.144 1.541 0.246 0.501 0.833 0.333 CB 0.801 Z: 9 16.244 2.064 0.681 0.871 1.000 0.875 CB 1.208 9 residues pruned to eliminate duplicates Z: 9 12.332 1.781 0.406 0.891 1.000 1.000 CB 1.252 Z: 9 16.957 1.877 0.539 0.823 1.000 0.875 CB 1.569 9 residues pruned to eliminate duplicates Z: 17 23.824 1.879 0.808 0.874 1.000 0.750 CB 1.277 17 residues pruned to eliminate duplicates Z: 13 5.973 1.637 0.748 0.215 0.750 0.167 CB 1.123 Z: 10 6.527 1.901 0.329 0.432 0.889 0.444 CB 1.040 10 residues pruned to eliminate duplicates Z: 6 2.701 1.761 0.018 0.659 0.800 0.800 CB 0.727 Z: 11 8.653 1.670 0.514 0.456 0.900 0.600 N 1.259 12 residues pruned to eliminate duplicates Z: 17 15.718 1.861 0.246 0.859 1.000 0.812 CB 1.247 17 residues pruned to eliminate duplicates Z: 6 4.690 1.184 0.559 0.825 1.000 0.800 O 0.857 Z: 15 7.404 1.634 0.303 0.371 0.857 0.500 CB 1.244 15 residues pruned to eliminate duplicates Z: 8 4.942 1.905 0.706 0.874 1.000 0.714 CB 0.418 Z: 40 18.333 1.856 0.443 0.597 0.821 0.410 CB 1.218 43 residues pruned to eliminate duplicates Z: 6 2.537 1.512 0.291 0.537 0.600 0.200 CB 0.934 Z: 10 7.942 1.529 0.863 0.466 0.889 0.778 CB 1.082 10 residues pruned to eliminate duplicates Z: 19 20.135 1.847 0.785 0.834 1.000 0.833 CB 1.079 19 residues pruned to eliminate duplicates Z: 12 6.134 1.601 0.414 0.413 1.000 0.364 CB 0.895 Z: 17 9.410 1.812 0.415 0.508 0.875 0.375 CB 1.040 17 residues pruned to eliminate duplicates Z: 8 2.291 1.525 0.478 0.212 0.571 0.571 CB 0.944 Z: 18 27.058 1.959 0.683 0.904 1.000 0.824 CB 1.417 18 residues pruned to eliminate duplicates Z: 14 8.516 1.750 0.851 0.580 0.923 0.615 CB 0.732 6 residues pruned to eliminate duplicates Z: 13 15.765 1.885 0.448 0.856 0.917 0.750 CB 1.341 13 residues pruned to eliminate duplicates Z: 15 7.067 1.699 0.464 0.293 0.786 0.429 CB 1.219 15 residues pruned to eliminate duplicates Z: 16 16.296 1.833 0.724 0.893 1.000 0.867 CB 0.955 16 residues pruned to eliminate duplicates Z: 14 22.463 1.974 0.652 0.873 1.000 0.769 CB 1.392 14 residues pruned to eliminate duplicates Z: 10 10.616 1.980 0.514 0.509 1.000 0.667 CB 1.170 10 residues pruned to eliminate duplicates Z: 16 13.839 1.753 0.524 0.867 1.000 0.800 CB 0.978 16 residues pruned to eliminate duplicates Z: 12 2.973 1.623 0.391 0.310 0.636 0.545 CB 0.770 Z: 13 3.035 1.689 0.190 0.191 0.667 0.417 N 0.946 Z: 14 11.779 1.859 0.552 0.860 0.923 0.846 CB 0.902 14 residues pruned to eliminate duplicates Z: 11 11.044 1.800 0.544 0.596 0.900 0.400 CB 1.275 11 residues pruned to eliminate duplicates Z: 8 2.950 2.035 0.411 0.211 0.571 0.286 CB 0.956 8 residues pruned to eliminate duplicates Z: 6 6.408 2.005 0.528 0.888 1.000 1.000 CB 0.674 8 residues pruned to eliminate duplicates Z: 9 7.649 1.784 0.927 0.805 0.625 0.500 CB 0.964 Z: 8 5.447 2.045 0.154 0.350 0.714 0.429 CB 1.436 8 residues pruned to eliminate duplicates Z: 22 10.981 1.799 0.512 0.479 0.810 0.381 N 1.112 22 residues pruned to eliminate duplicates Z: 10 12.494 1.888 0.711 0.788 0.889 0.667 CB 1.126 10 residues pruned to eliminate duplicates Z: 11 11.177 1.961 0.566 0.510 0.900 0.500 CB 1.267 11 residues pruned to eliminate duplicates Z: 6 5.582 1.607 0.172 0.828 1.000 0.800 N 0.998 Z: 15 19.626 1.835 0.665 0.836 0.929 0.714 CB 1.385 15 residues pruned to eliminate duplicates Z: 8 4.312 1.911 0.601 0.846 1.000 0.714 CB 0.396 Z: 18 24.281 1.935 0.789 0.846 0.941 0.824 CB 1.343 18 residues pruned to eliminate duplicates Z: 14 22.279 1.758 0.887 0.878 0.923 0.846 O 1.464 Z: 16 27.937 1.859 1.148 0.906 1.000 0.533 N 1.285 16 residues pruned to eliminate duplicates Z: 13 19.482 1.897 0.811 0.840 0.917 0.583 CB 1.333 13 residues pruned to eliminate duplicates Z: 18 12.720 1.893 0.787 0.378 0.765 0.471 CB 1.358 18 residues pruned to eliminate duplicates Z: 6 2.697 1.315 0.989 0.476 0.600 0.400 CB 0.787 7 1.707 1.308 0.045 0.444 1.000 0.833 N 0.540 ? Z: 16 9.059 1.651 0.230 0.786 0.800 0.733 CB 1.120 16 residues pruned to eliminate duplicates Z: 13 6.404 1.753 0.592 0.357 0.583 0.500 CB 1.325 13 residues pruned to eliminate duplicates Z: 9 6.236 1.992 0.212 0.433 0.875 0.500 CB 1.118 9 residues pruned to eliminate duplicates Z: 16 13.120 1.819 0.617 0.479 0.867 0.467 CB 1.359 19 residues pruned to eliminate duplicates Z: 9 4.014 1.576 0.348 0.432 0.750 0.375 CB 0.956 Z: 8 11.612 1.663 0.783 0.829 0.857 0.857 N 1.299 Z: 20 23.851 1.786 0.713 0.872 1.000 0.789 CB 1.304 20 residues pruned to eliminate duplicates Z: 17 10.116 1.728 0.506 0.522 0.875 0.500 CB 1.087 8 residues pruned to eliminate duplicates Z: 16 8.193 1.892 0.320 0.329 0.800 0.400 N 1.277 16 residues pruned to eliminate duplicates Z: 15 17.242 1.794 0.736 0.883 0.929 0.714 CB 1.152 13 residues pruned to eliminate duplicates Z: 12 2.587 1.533 0.490 0.334 0.727 0.636 CB 0.563 12 residues pruned to eliminate duplicates Z: 17 13.855 1.689 0.490 0.734 0.875 0.688 N 1.274 13 residues pruned to eliminate duplicates Z: 11 6.485 1.779 0.451 0.285 0.800 0.400 CB 1.265 13 residues pruned to eliminate duplicates Z: 27 12.292 1.781 0.494 0.387 0.846 0.500 CB 1.206 27 residues pruned to eliminate duplicates Z: 13 7.088 1.700 0.389 0.333 0.833 0.333 CB 1.248 9 residues pruned to eliminate duplicates Z: 12 8.563 1.864 0.579 0.555 0.818 0.636 CB 1.016 12 residues pruned to eliminate duplicates Z: 6 3.598 2.000 0.192 0.864 1.000 1.000 CB 0.495 Z: 13 5.345 1.733 0.329 0.331 0.833 0.500 CB 0.968 13 residues pruned to eliminate duplicates Z: 9 4.463 1.719 0.257 0.576 1.000 0.625 CB 0.678 9 residues pruned to eliminate duplicates Z: 14 12.552 1.662 0.417 0.887 1.000 0.846 CB 1.065 14 residues pruned to eliminate duplicates Z: 8 4.428 1.655 0.515 0.435 0.857 0.571 CB 0.833 Z: 6 7.561 1.652 0.816 0.684 0.800 0.600 CB 1.189 6 residues pruned to eliminate duplicates Z: 13 16.608 1.911 0.530 0.826 1.000 0.750 CB 1.237 17 residues pruned to eliminate duplicates Z: 16 8.288 1.819 0.391 0.309 0.867 0.400 CB 1.207 13 residues pruned to eliminate duplicates Z: 17 18.034 1.780 0.521 0.932 1.000 0.875 CB 1.163 17 residues pruned to eliminate duplicates Z: 18 24.481 1.913 0.454 0.883 1.000 0.941 CB 1.544 18 residues pruned to eliminate duplicates Z: 6 3.860 1.499 -0.006 0.523 1.000 0.600 N 1.133 Z: 9 9.551 1.659 0.749 0.786 0.875 0.875 N 1.034 9 residues pruned to eliminate duplicates Z: 16 22.029 1.799 0.882 0.870 1.000 0.800 CB 1.227 15 residues pruned to eliminate duplicates Z: 6 5.179 1.781 0.407 0.414 0.800 0.400 CB 1.263 Z: 7 4.384 1.901 0.350 0.275 0.667 0.333 CB 1.351 Z: 12 12.717 1.710 0.642 0.793 1.000 0.818 CB 1.056 13 residues pruned to eliminate duplicates Z: 9 3.256 1.570 0.859 0.220 0.625 0.250 CB 0.876 Z: 22 19.474 1.876 0.486 0.657 0.905 0.667 CB 1.456 22 residues pruned to eliminate duplicates Z: 15 7.253 1.733 0.297 0.323 0.786 0.357 CB 1.333 15 residues pruned to eliminate duplicates Z: 13 12.685 1.575 0.302 0.853 1.000 0.917 CB 1.320 13 residues pruned to eliminate duplicates Z: 13 9.173 1.769 0.363 0.510 0.917 0.417 CB 1.186 12 residues pruned to eliminate duplicates Z: 17 25.390 1.948 0.488 0.923 1.000 0.938 CB 1.539 17 residues pruned to eliminate duplicates Z: 6 5.050 1.400 0.427 0.478 1.000 1.000 CB 1.156 6 residues pruned to eliminate duplicates Z: 10 7.435 1.524 0.556 0.794 0.889 0.667 CB 0.909 10 residues pruned to eliminate duplicates Z: 12 10.192 1.876 0.813 0.807 1.000 0.909 CB 0.691 6 residues pruned to eliminate duplicates Z: 11 4.291 1.706 0.178 0.351 1.000 0.800 CB 0.794 11 residues pruned to eliminate duplicates Z: 19 19.594 1.862 0.508 0.863 0.944 0.944 CB 1.277 19 residues pruned to eliminate duplicates Z: 22 7.229 1.689 0.363 0.293 0.667 0.476 CB 1.297 17 residues pruned to eliminate duplicates Z: 12 11.895 1.768 0.106 0.897 1.000 0.909 CB 1.313 12 residues pruned to eliminate duplicates Z: 7 3.193 1.329 0.525 0.517 0.667 0.667 CB 0.948 Z: 8 3.255 1.571 0.370 0.518 0.857 0.571 CB 0.655 Z: 12 19.589 1.821 0.860 0.861 0.909 0.727 N 1.409 12 residues pruned to eliminate duplicates Z: 15 14.858 1.942 0.284 0.785 0.929 0.857 CB 1.335 15 residues pruned to eliminate duplicates Z: 16 23.041 1.870 0.866 0.873 1.000 0.800 CB 1.242 17 residues pruned to eliminate duplicates Z: 7 4.137 1.606 0.418 0.657 0.833 0.667 O 0.769 Z: 14 6.656 1.781 0.368 0.377 0.769 0.615 CB 1.123 14 residues pruned to eliminate duplicates Z: 20 18.095 1.842 0.412 0.847 0.895 0.684 CB 1.324 20 residues pruned to eliminate duplicates Z: 19 9.144 1.687 0.547 0.363 0.778 0.389 CB 1.231 19 residues pruned to eliminate duplicates Z: 11 10.799 1.777 0.323 0.881 1.000 0.900 CB 1.051 11 residues pruned to eliminate duplicates Z: 6 2.687 1.268 0.488 0.649 0.800 0.800 CB 0.693 6 residues pruned to eliminate duplicates Z: 17 7.558 1.754 0.516 0.276 0.812 0.438 N 1.127 17 residues pruned to eliminate duplicates Z: 8 4.626 1.695 0.034 0.662 0.857 0.714 CB 1.002 Z: 9 2.694 1.644 0.194 0.185 0.625 0.500 N 1.133 Z: 9 4.965 1.869 0.258 0.458 0.750 0.500 CB 1.039 9 residues pruned to eliminate duplicates Z: 15 18.486 1.765 0.604 0.839 0.929 0.857 CB 1.404 15 residues pruned to eliminate duplicates Z: 7 10.682 1.759 0.649 0.824 0.833 0.667 N 1.362 6 residues pruned to eliminate duplicates Z: 8 2.988 1.556 0.064 0.372 0.714 0.429 CB 1.095 8 residues pruned to eliminate duplicates Z: 6 6.708 1.497 0.848 0.793 0.800 0.800 CB 1.048 Z: 16 7.779 1.792 0.425 0.351 0.867 0.533 CB 1.067 20 residues pruned to eliminate duplicates Z: 6 2.661 1.493 0.704 0.298 0.600 0.400 O 0.977 Z: 7 10.247 1.733 0.895 0.647 1.000 0.500 CB 1.110 7 residues pruned to eliminate duplicates Z: 14 16.139 1.851 0.430 0.857 0.846 0.692 O 1.473 14 residues pruned to eliminate duplicates Z: 9 4.799 1.522 0.322 0.372 1.000 0.500 N 0.967 Z: 6 2.967 1.490 0.724 0.327 0.800 0.600 CB 0.780 Z: 18 5.588 1.655 0.512 0.418 0.824 0.588 CB 0.716 17 residues pruned to eliminate duplicates 6 1.420 1.433 0.030 0.291 0.800 0.400 CB 0.680 ? Z: 10 4.824 1.639 0.422 0.348 0.889 0.667 CB 0.915 Z: 17 26.505 1.947 0.702 0.899 1.000 1.000 CB 1.429 17 residues pruned to eliminate duplicates Z: 10 6.707 1.630 0.519 0.417 0.889 0.444 CB 1.107 9 residues pruned to eliminate duplicates Z: 6 8.409 1.768 0.316 0.831 1.000 1.000 CB 1.214 Z: 6 2.691 1.179 0.370 0.852 1.000 0.800 CB 0.551 Z: 9 6.792 1.800 0.561 0.338 0.875 0.500 CB 1.167 9 residues pruned to eliminate duplicates Z: 8 5.439 1.598 0.246 0.416 1.000 0.429 CB 1.127 9 residues pruned to eliminate duplicates Z: 9 11.087 1.730 0.481 0.875 1.000 0.875 O 1.113 9 residues pruned to eliminate duplicates Z: 6 3.088 1.640 -0.219 0.416 1.000 0.400 CB 1.178 6 residues pruned to eliminate duplicates Z: 19 12.824 1.733 0.687 0.624 0.833 0.556 CB 1.104 19 residues pruned to eliminate duplicates Z: 16 4.877 1.548 0.335 0.316 0.800 0.467 CB 0.933 Z: 7 2.702 1.505 0.522 0.250 0.667 0.500 O 0.963 6 residues pruned to eliminate duplicates Z: 9 4.759 1.691 0.545 0.412 0.750 0.500 CB 0.942 9 residues pruned to eliminate duplicates Z: 16 7.430 1.542 0.323 0.586 0.867 0.467 CB 0.999 16 residues pruned to eliminate duplicates Z: 13 5.793 1.628 0.366 0.443 0.833 0.583 CB 0.956 6 1.481 1.715 0.249 0.738 1.000 0.800 CB 0.250 ? Z: 17 17.396 1.905 0.372 0.829 0.875 0.750 CB 1.431 18 residues pruned to eliminate duplicates Z: 7 3.335 1.263 0.380 0.687 1.000 0.833 CB 0.659 7 residues pruned to eliminate duplicates Z: 7 2.897 1.520 0.372 0.209 0.667 0.333 N 1.200 Z: 8 3.738 1.571 0.061 0.860 1.000 0.857 CB 0.623 8 residues pruned to eliminate duplicates Z: 23 19.811 1.951 0.758 0.579 0.864 0.455 CB 1.323 31 residues pruned to eliminate duplicates Z: 7 3.959 1.302 0.597 0.477 0.833 0.500 CB 0.955 6 0.958 1.136 0.719 0.318 0.400 0.200 CA 0.671 ? Z: 18 24.042 1.920 0.744 0.867 0.941 0.882 CB 1.354 18 residues pruned to eliminate duplicates 6 1.912 1.313 0.584 0.317 0.600 0.400 N 0.838 ? Z: 6 4.350 1.457 0.362 0.310 1.000 0.400 O 1.210 Z: 8 11.340 1.794 0.368 0.816 1.000 0.286 N 1.327 8 residues pruned to eliminate duplicates Z: 11 4.434 1.552 0.464 0.401 0.800 0.500 CB 0.856 Z: 6 2.805 1.510 0.155 0.270 0.800 0.400 C 1.168 Z: 9 2.822 1.443 0.088 0.340 0.750 0.625 CB 1.009 9 residues pruned to eliminate duplicates Z: 7 4.776 1.785 0.297 0.612 1.000 0.667 CB 0.757 Z: 15 9.143 1.790 0.449 0.330 0.929 0.571 CB 1.222 14 residues pruned to eliminate duplicates 8 1.357 1.551 0.442 0.197 0.571 0.286 CB 0.575 ? Z: 16 8.011 1.965 0.270 0.323 0.933 0.600 CB 1.080 16 residues pruned to eliminate duplicates Z: 6 6.743 1.559 0.573 0.530 1.000 0.600 CB 1.193 Z: 7 2.224 1.418 0.483 0.246 0.833 0.500 O 0.694 Z: 13 26.751 1.945 0.768 0.881 1.000 0.917 CB 1.626 13 residues pruned to eliminate duplicates 8 1.749 1.242 0.483 0.306 0.571 0.429 N 0.780 ? Z: 13 5.685 1.646 0.294 0.845 1.000 0.833 CB 0.573 7 residues pruned to eliminate duplicates Z: 7 5.018 1.651 0.356 0.385 0.833 0.667 N 1.242 6 residues pruned to eliminate duplicates Z: 14 25.594 1.912 0.795 0.901 0.923 0.769 CB 1.599 14 residues pruned to eliminate duplicates 6 1.732 1.273 0.883 0.294 0.400 0.400 O 1.018 ? Z: 17 9.067 1.833 0.202 0.588 0.875 0.625 CB 1.081 17 residues pruned to eliminate duplicates Z: 11 3.932 1.320 0.356 0.447 0.700 0.600 CB 1.048 11 residues pruned to eliminate duplicates Z: 20 25.179 1.775 0.772 0.901 1.000 0.842 CB 1.311 18 residues pruned to eliminate duplicates Z: 10 8.435 1.932 0.166 0.434 1.000 0.556 CB 1.337 17 residues pruned to eliminate duplicates Z: 10 8.381 1.595 0.288 0.803 1.000 0.667 CB 1.043 10 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 4.029 1.506 0.210 0.648 1.000 0.833 CB 0.786 7 residues pruned to eliminate duplicates Z: 6 4.482 1.702 0.225 0.727 0.800 0.800 CB 0.979 6 residues pruned to eliminate duplicates Z: 6 3.794 1.618 0.233 0.636 1.000 0.800 CB 0.748 6 residues pruned to eliminate duplicates Z: 10 7.531 1.690 0.651 0.631 0.778 0.556 CB 1.023 10 residues pruned to eliminate duplicates Z: 11 5.955 1.712 0.251 0.626 0.800 0.600 CB 0.975 11 residues pruned to eliminate duplicates Z: 10 5.139 1.713 0.308 0.750 1.000 0.778 CB 0.612 10 residues pruned to eliminate duplicates Z: 13 9.596 1.698 0.450 0.697 1.000 0.583 CB 0.940 13 residues pruned to eliminate duplicates Z: 14 11.776 1.666 0.737 0.650 1.000 0.692 CB 0.981 14 residues pruned to eliminate duplicates Z: 11 11.253 1.815 0.388 0.763 1.000 0.800 CB 1.118 11 residues pruned to eliminate duplicates Z: 19 20.482 1.806 0.758 0.762 1.000 0.722 CB 1.204 12 residues pruned to eliminate duplicates Z: 11 14.660 1.828 0.521 0.883 1.000 0.900 CB 1.206 11 residues pruned to eliminate duplicates Z: 16 8.109 1.775 0.452 0.464 0.867 0.467 CB 0.972 16 residues pruned to eliminate duplicates Z: 21 11.182 1.765 0.498 0.630 0.800 0.400 CB 1.046 21 residues pruned to eliminate duplicates Z: 14 6.956 1.856 0.355 0.342 0.846 0.462 CB 1.076 14 residues pruned to eliminate duplicates Z: 10 7.627 1.745 0.298 0.538 1.000 0.444 CB 1.081 10 residues pruned to eliminate duplicates Z: 7 6.277 1.786 0.352 0.633 0.833 0.667 CB 1.124 7 residues pruned to eliminate duplicates Z: 10 7.201 1.655 0.812 0.372 0.778 0.667 CB 1.181 10 residues pruned to eliminate duplicates Z: 8 5.829 1.666 0.714 0.395 0.857 0.571 N 1.007 7 residues pruned to eliminate duplicates Z: 6 3.406 1.678 0.230 0.159 1.000 0.200 O 1.121 6 residues pruned to eliminate duplicates Z: 9 7.133 1.710 0.478 0.390 0.875 0.500 O 1.281 9 residues pruned to eliminate duplicates Z: 12 6.253 1.549 0.371 0.481 0.909 0.545 CB 0.995 13 residues pruned to eliminate duplicates Z: 6 3.223 1.424 0.219 0.522 0.800 0.800 O 1.016 6 residues pruned to eliminate duplicates Z: 12 7.245 1.789 0.500 0.568 0.818 0.636 CB 0.931 12 residues pruned to eliminate duplicates Z: 10 15.753 1.713 0.524 0.894 1.000 1.000 N 1.443 10 residues pruned to eliminate duplicates Z: 9 16.434 1.794 0.643 0.887 1.000 0.875 CB 1.421 9 residues pruned to eliminate duplicates Z: 12 9.174 1.685 0.399 0.572 0.909 0.727 CB 1.204 12 residues pruned to eliminate duplicates Z: 9 10.307 1.904 0.507 0.772 0.875 0.875 CB 1.141 9 residues pruned to eliminate duplicates Z: 14 9.021 1.715 0.451 0.512 0.923 0.769 CB 1.077 10 residues pruned to eliminate duplicates Z: 9 16.891 1.805 0.840 0.879 1.000 1.000 CB 1.304 9 residues pruned to eliminate duplicates Z: 11 8.481 1.783 0.457 0.346 1.000 0.500 CB 1.221 11 residues pruned to eliminate duplicates Z: 13 6.247 1.639 0.459 0.297 0.833 0.500 CB 1.135 13 residues pruned to eliminate duplicates Z: 10 8.512 1.775 0.404 0.447 0.889 0.556 CB 1.353 10 residues pruned to eliminate duplicates Z: 10 6.035 1.773 0.653 0.374 0.778 0.444 CB 1.009 10 residues pruned to eliminate duplicates Z: 13 7.135 1.676 0.495 0.305 0.917 0.333 CB 1.113 13 residues pruned to eliminate duplicates Z: 10 7.533 1.785 0.745 0.365 0.778 0.333 N 1.198 10 residues pruned to eliminate duplicates Z: 13 6.502 1.619 0.669 0.370 0.833 0.500 N 0.958 12 residues pruned to eliminate duplicates Z: 7 10.840 1.807 0.484 0.835 1.000 1.000 CB 1.236 7 residues pruned to eliminate duplicates Z: 8 12.985 1.679 0.751 0.857 1.000 1.000 N 1.230 8 residues pruned to eliminate duplicates Z: 9 10.018 1.553 0.897 0.848 1.000 0.875 N 0.892 9 residues pruned to eliminate duplicates Z: 20 9.733 1.614 0.657 0.450 0.947 0.579 CB 0.927 20 residues pruned to eliminate duplicates Z: 8 10.714 1.794 0.746 0.832 0.857 0.714 CB 1.132 8 residues pruned to eliminate duplicates Z: 7 13.898 1.826 0.505 0.827 1.000 0.833 CB 1.556 6 residues pruned to eliminate duplicates Z: 9 12.942 1.664 0.905 0.848 0.875 0.750 CB 1.223 7 residues pruned to eliminate duplicates Z: 7 16.723 1.916 0.721 0.780 1.000 0.500 CA 1.618 8 residues pruned to eliminate duplicates Z: 7 13.600 1.747 1.028 0.792 1.000 0.500 CB 1.213 7 residues pruned to eliminate duplicates Z: 11 11.162 1.723 0.797 0.451 0.900 0.400 CB 1.332 9 residues pruned to eliminate duplicates Z: 8 11.586 1.791 0.659 0.574 1.000 0.714 CA 1.372 8 residues pruned to eliminate duplicates Z: 12 9.618 1.717 0.646 0.449 0.909 0.364 CB 1.189 11 residues pruned to eliminate duplicates Z: 7 6.689 1.920 0.337 0.558 1.000 0.333 CB 1.006 5 residues pruned to eliminate duplicates Z: 7 11.245 1.779 0.727 0.781 0.833 0.833 CB 1.400 10 residues pruned to eliminate duplicates Z: 8 9.314 1.682 0.852 0.778 0.857 0.571 CB 1.032 9 residues pruned to eliminate duplicates Z: 8 10.976 1.690 1.071 0.773 0.857 0.571 CB 1.086 8 residues pruned to eliminate duplicates Z: 10 10.267 1.835 0.694 0.588 1.000 0.667 CB 1.012 6 residues pruned to eliminate duplicates Z: 8 11.736 1.702 1.071 0.825 0.857 0.714 CB 1.108 11 residues pruned to eliminate duplicates Z: 8 4.787 1.351 0.488 0.504 0.857 0.286 CB 1.046 8 residues pruned to eliminate duplicates Z: 8 5.697 1.930 0.396 0.239 0.714 0.571 CB 1.515 8 residues pruned to eliminate duplicates Z: 10 8.784 1.737 0.719 0.289 1.000 0.444 CB 1.243 10 residues pruned to eliminate duplicates Z: 15 8.093 1.728 0.529 0.302 0.857 0.643 CB 1.191 14 residues pruned to eliminate duplicates Z: 7 3.387 1.280 0.799 0.397 1.000 0.667 N 0.670 7 residues pruned to eliminate duplicates Z: 12 7.691 1.847 0.665 0.333 0.818 0.545 CB 1.105 12 residues pruned to eliminate duplicates Z: 14 4.454 1.777 0.359 0.231 0.692 0.231 CB 1.012 14 residues pruned to eliminate duplicates Z: 30 8.464 1.608 0.357 0.291 0.793 0.379 CB 1.148 19 residues pruned to eliminate duplicates Z: 7 3.225 1.605 1.022 0.524 0.667 0.333 CB 0.595 7 residues pruned to eliminate duplicates Z: 21 7.771 1.764 0.650 0.248 0.750 0.400 CB 1.064 19 residues pruned to eliminate duplicates Z: 9 6.781 1.448 0.510 0.757 1.000 0.875 N 0.872 9 residues pruned to eliminate duplicates Z: 17 9.955 1.742 0.427 0.470 1.000 0.562 CB 1.032 39 residues pruned to eliminate duplicates Z: 10 6.517 1.402 0.517 0.427 1.000 0.444 N 1.102 10 residues pruned to eliminate duplicates Z: 7 7.495 1.410 0.664 0.879 1.000 1.000 O 0.946 7 residues pruned to eliminate duplicates Z: 6 7.001 1.496 0.742 0.648 1.000 1.000 CB 1.047 6 residues pruned to eliminate duplicates Z: 8 4.073 1.329 0.759 0.505 0.714 0.286 CB 0.917 8 residues pruned to eliminate duplicates Z: 16 17.761 1.975 0.336 0.841 0.933 0.800 CB 1.389 16 residues pruned to eliminate duplicates Z: 15 19.859 2.058 0.334 0.888 1.000 0.929 CB 1.393 15 residues pruned to eliminate duplicates Z: 16 21.702 1.954 0.400 0.909 1.000 0.867 CB 1.453 16 residues pruned to eliminate duplicates Z: 15 16.872 1.924 0.391 0.848 1.000 0.857 CB 1.250 15 residues pruned to eliminate duplicates Z: 14 24.162 2.011 0.709 0.906 1.000 0.846 CB 1.387 14 residues pruned to eliminate duplicates Z: 16 21.747 1.932 0.574 0.836 1.000 0.733 CB 1.381 16 residues pruned to eliminate duplicates Z: 16 18.769 1.889 0.600 0.841 0.933 0.667 CB 1.281 16 residues pruned to eliminate duplicates Z: 16 22.489 1.937 0.659 0.863 0.933 0.867 CB 1.420 16 residues pruned to eliminate duplicates Z: 15 16.642 1.954 0.770 0.716 0.929 0.714 CB 1.139 15 residues pruned to eliminate duplicates Z: 15 19.330 1.984 0.586 0.818 0.929 0.643 CB 1.342 15 residues pruned to eliminate duplicates Z: 17 19.603 1.912 0.697 0.771 0.938 0.750 CB 1.268 17 residues pruned to eliminate duplicates Z: 16 24.928 1.919 0.693 0.899 1.000 0.933 CB 1.416 16 residues pruned to eliminate duplicates Z: 16 19.981 1.924 0.697 0.850 0.933 0.800 CB 1.254 16 residues pruned to eliminate duplicates Z: 17 27.362 2.016 0.771 0.905 0.938 0.938 CB 1.455 17 residues pruned to eliminate duplicates Z: 18 26.175 1.961 0.668 0.835 1.000 0.824 CB 1.453 18 residues pruned to eliminate duplicates Z: 17 25.143 1.925 0.565 0.926 1.000 0.938 CB 1.463 17 residues pruned to eliminate duplicates Z: 10 5.997 1.754 0.567 0.448 1.000 0.556 CB 0.767 10 residues pruned to eliminate duplicates Z: 18 9.344 1.792 0.496 0.621 0.765 0.471 CB 0.987 17 residues pruned to eliminate duplicates Z: 16 14.855 2.011 0.615 0.791 0.733 0.467 CB 1.248 16 residues pruned to eliminate duplicates Z: 15 9.753 1.845 0.591 0.618 0.786 0.429 CB 1.010 15 residues pruned to eliminate duplicates Z: 14 10.602 1.936 0.666 0.617 0.846 0.385 CB 0.965 14 residues pruned to eliminate duplicates Z: 11 9.777 1.930 0.850 0.603 0.700 0.400 CB 1.121 11 residues pruned to eliminate duplicates Z: 9 9.771 2.053 0.525 0.649 0.750 0.625 N 1.281 9 residues pruned to eliminate duplicates Z: 16 12.994 1.869 0.585 0.704 0.867 0.467 CB 1.085 16 residues pruned to eliminate duplicates Z: 13 14.100 2.008 0.678 0.758 0.917 0.417 CB 1.048 13 residues pruned to eliminate duplicates Z: 20 15.966 1.917 0.615 0.592 0.895 0.421 CB 1.211 20 residues pruned to eliminate duplicates Z: 25 18.420 1.981 0.776 0.568 0.792 0.458 CB 1.264 21 residues pruned to eliminate duplicates Z: 12 22.260 2.061 0.898 0.865 1.000 0.727 CB 1.257 21 residues pruned to eliminate duplicates Z: 14 16.056 1.955 0.741 0.781 0.923 0.692 CB 1.106 14 residues pruned to eliminate duplicates Z: 20 16.544 1.949 0.656 0.543 0.842 0.421 CB 1.339 20 residues pruned to eliminate duplicates Z: 13 13.866 2.048 0.484 0.451 1.000 0.583 CB 1.384 13 residues pruned to eliminate duplicates Z: 19 11.652 1.942 0.356 0.376 0.889 0.500 CB 1.340 19 residues pruned to eliminate duplicates Z: 11 12.220 2.019 0.600 0.448 0.900 0.400 CB 1.402 11 residues pruned to eliminate duplicates Z: 18 13.740 2.009 0.650 0.405 0.824 0.588 CB 1.348 18 residues pruned to eliminate duplicates Z: 18 19.650 2.057 0.623 0.514 0.941 0.588 N 1.496 20 residues pruned to eliminate duplicates Z: 11 8.492 1.497 0.620 0.491 0.900 0.800 N 1.242 11 residues pruned to eliminate duplicates Z: 20 23.460 2.066 0.663 0.651 1.000 0.684 CB 1.361 20 residues pruned to eliminate duplicates Z: 21 13.741 1.906 0.726 0.379 0.850 0.650 CB 1.250 21 residues pruned to eliminate duplicates Z: 26 14.592 1.816 0.494 0.455 0.880 0.520 CB 1.279 21 residues pruned to eliminate duplicates Z: 17 20.870 1.925 0.594 0.776 1.000 0.938 CB 1.332 17 residues pruned to eliminate duplicates Z: 18 15.132 1.915 0.635 0.476 0.882 0.588 CB 1.361 18 residues pruned to eliminate duplicates Z: 23 16.623 1.950 0.505 0.587 0.909 0.682 CB 1.222 23 residues pruned to eliminate duplicates Z: 20 14.856 1.847 0.521 0.436 0.947 0.737 CB 1.367 20 residues pruned to eliminate duplicates Z: 18 22.751 2.010 0.658 0.716 1.000 0.765 CB 1.362 18 residues pruned to eliminate duplicates Z: 27 24.008 1.965 0.760 0.647 0.962 0.692 CB 1.234 30 residues pruned to eliminate duplicates Z: 15 17.783 1.914 0.653 0.871 0.929 0.857 CB 1.180 15 residues pruned to eliminate duplicates Z: 19 24.272 2.043 0.782 0.671 0.944 0.778 CB 1.422 21 residues pruned to eliminate duplicates Z: 15 16.741 1.861 0.731 0.872 1.000 0.786 CB 1.012 14 residues pruned to eliminate duplicates Z: 16 21.686 1.877 0.787 0.866 1.000 0.933 CB 1.222 15 residues pruned to eliminate duplicates Z: 15 22.725 1.962 0.801 0.905 1.000 0.929 CB 1.224 15 residues pruned to eliminate duplicates Z: 26 24.666 1.960 0.713 0.656 0.960 0.800 CB 1.324 27 residues pruned to eliminate duplicates Z: 12 9.532 1.625 0.420 0.839 1.000 0.818 CB 0.930 12 residues pruned to eliminate duplicates Z: 15 12.880 1.611 0.501 0.859 0.929 0.929 CB 1.128 15 residues pruned to eliminate duplicates Z: 12 11.930 1.744 0.453 0.589 0.909 0.636 N 1.434 12 residues pruned to eliminate duplicates Z: 9 8.790 1.719 0.200 0.701 0.875 0.625 CB 1.433 9 residues pruned to eliminate duplicates Z: 11 7.166 1.637 0.588 0.546 0.700 0.400 N 1.191 11 residues pruned to eliminate duplicates Z: 12 12.193 1.722 0.336 0.752 0.909 0.636 N 1.405 12 residues pruned to eliminate duplicates Z: 13 7.526 1.657 0.320 0.508 0.833 0.667 CB 1.182 13 residues pruned to eliminate duplicates Z: 23 17.917 1.714 0.526 0.684 1.000 0.682 CB 1.233 40 residues pruned to eliminate duplicates Z: 15 11.879 1.729 0.283 0.762 0.929 0.857 CB 1.221 Z: 15 12.411 1.654 0.469 0.758 0.929 0.500 CB 1.168 15 residues pruned to eliminate duplicates Z: 14 15.291 1.734 0.315 0.855 1.000 0.769 N 1.372 13 residues pruned to eliminate duplicates Z: 15 12.977 1.593 0.310 0.744 1.000 0.643 N 1.336 15 residues pruned to eliminate duplicates Z: 16 10.012 1.708 0.346 0.685 0.867 0.600 CB 1.094 16 residues pruned to eliminate duplicates Z: 20 12.374 1.551 0.497 0.704 0.895 0.579 CB 1.135 21 residues pruned to eliminate duplicates Z: 17 20.380 1.822 0.726 0.763 1.000 0.938 CB 1.282 19 residues pruned to eliminate duplicates Z: 15 17.307 1.817 0.585 0.766 1.000 0.857 CB 1.269 15 residues pruned to eliminate duplicates Z: 25 14.536 1.836 0.562 0.535 0.875 0.583 CB 1.142 25 residues pruned to eliminate duplicates Z: 16 19.823 1.946 0.672 0.704 0.867 0.667 CB 1.508 26 residues pruned to eliminate duplicates Z: 16 18.479 1.813 0.510 0.855 1.000 0.867 CB 1.286 18 residues pruned to eliminate duplicates Z: 14 18.903 1.923 0.515 0.889 1.000 1.000 CB 1.296 14 residues pruned to eliminate duplicates Z: 17 22.806 1.998 0.733 0.667 0.938 0.750 CB 1.505 19 residues pruned to eliminate duplicates Z: 15 23.201 1.857 0.776 0.876 1.000 0.929 CB 1.366 15 residues pruned to eliminate duplicates Z: 15 24.307 1.896 0.759 0.886 1.000 0.929 CB 1.405 15 residues pruned to eliminate duplicates Z: 15 17.557 1.853 0.634 0.830 1.000 0.786 CB 1.165 15 residues pruned to eliminate duplicates Z: 19 22.566 1.940 0.795 0.697 0.944 0.722 CB 1.351 18 residues pruned to eliminate duplicates Z: 16 21.461 1.866 0.476 0.898 1.000 0.933 CB 1.439 16 residues pruned to eliminate duplicates Z: 18 17.789 1.936 0.692 0.618 0.765 0.647 N 1.540 18 residues pruned to eliminate duplicates Z: 6 4.962 1.578 0.381 0.704 1.000 0.600 N 0.846 6 residues pruned to eliminate duplicates Z: 15 18.244 1.903 0.516 0.834 1.000 0.786 CB 1.267 15 residues pruned to eliminate duplicates Z: 8 5.369 1.513 0.697 0.321 1.000 0.571 CB 0.963 8 residues pruned to eliminate duplicates Z: 17 15.572 1.924 0.589 0.657 0.812 0.438 CB 1.355 17 residues pruned to eliminate duplicates Z: 17 17.304 1.868 0.574 0.725 0.938 0.562 N 1.282 17 residues pruned to eliminate duplicates Z: 15 19.130 1.956 0.588 0.748 0.929 0.571 CB 1.420 15 residues pruned to eliminate duplicates Z: 12 15.552 2.046 0.526 0.765 0.818 0.455 CB 1.451 12 residues pruned to eliminate duplicates Z: 15 17.477 1.977 0.534 0.750 0.857 0.571 CB 1.437 15 residues pruned to eliminate duplicates Z: 16 17.989 1.949 0.502 0.783 0.933 0.667 CB 1.324 36 residues pruned to eliminate duplicates Z: 17 13.056 1.876 0.318 0.726 0.875 0.562 CB 1.231 17 residues pruned to eliminate duplicates Z: 11 10.452 2.019 0.173 0.717 0.800 0.800 N 1.433 11 residues pruned to eliminate duplicates Z: 14 17.399 2.013 0.579 0.826 0.923 0.615 CB 1.240 14 residues pruned to eliminate duplicates Z: 16 14.895 1.912 0.294 0.762 0.867 0.600 CB 1.421 17 residues pruned to eliminate duplicates Z: 16 16.344 1.951 0.398 0.797 0.867 0.600 CB 1.376 15 residues pruned to eliminate duplicates Z: 12 11.630 1.859 0.436 0.805 0.818 0.727 N 1.231 12 residues pruned to eliminate duplicates Z: 9 7.017 1.743 0.081 0.474 1.000 0.750 CA 1.352 4 residues pruned to eliminate duplicates Z: 7 7.062 1.766 0.805 0.442 0.833 0.167 CB 1.153 7 residues pruned to eliminate duplicates Z: 19 15.453 2.049 0.363 0.509 0.944 0.611 CB 1.369 19 residues pruned to eliminate duplicates Z: 22 19.500 2.053 0.424 0.634 0.952 0.810 CB 1.348 22 residues pruned to eliminate duplicates Z: 22 21.937 2.074 0.439 0.698 0.905 0.810 CB 1.480 22 residues pruned to eliminate duplicates Z: 22 17.297 1.979 0.610 0.565 0.857 0.714 CB 1.298 22 residues pruned to eliminate duplicates Z: 23 22.324 1.987 0.526 0.660 0.955 0.818 CB 1.417 23 residues pruned to eliminate duplicates Z: 22 21.168 2.054 0.400 0.672 0.952 0.857 CB 1.439 22 residues pruned to eliminate duplicates Z: 25 20.461 2.012 0.441 0.619 0.917 0.792 CB 1.405 25 residues pruned to eliminate duplicates Z: 22 26.724 2.041 0.710 0.664 0.952 0.810 CB 1.507 22 residues pruned to eliminate duplicates Z: 20 27.192 2.108 0.672 0.722 0.947 0.895 CB 1.529 20 residues pruned to eliminate duplicates Z: 21 25.001 2.075 0.747 0.693 0.900 0.750 CB 1.436 21 residues pruned to eliminate duplicates Z: 21 25.950 2.062 0.651 0.663 1.000 0.850 CB 1.465 21 residues pruned to eliminate duplicates Z: 25 23.131 1.962 0.708 0.627 0.917 0.583 CB 1.363 25 residues pruned to eliminate duplicates Z: 19 26.264 2.097 0.711 0.685 1.000 0.833 CB 1.457 19 residues pruned to eliminate duplicates Z: 25 23.607 2.002 0.636 0.627 0.917 0.708 CB 1.424 25 residues pruned to eliminate duplicates Z: 22 23.494 2.027 0.724 0.656 1.000 0.762 CB 1.269 22 residues pruned to eliminate duplicates Z: 26 26.202 1.983 0.787 0.613 0.960 0.800 CB 1.385 26 residues pruned to eliminate duplicates Z: 22 21.583 2.030 0.600 0.657 0.952 0.714 CB 1.316 22 residues pruned to eliminate duplicates Z: 11 10.439 1.884 0.359 0.572 0.800 0.200 CB 1.504 11 residues pruned to eliminate duplicates Z: 15 8.616 1.914 0.279 0.581 0.786 0.286 CB 1.107 15 residues pruned to eliminate duplicates Z: 10 10.525 2.021 0.505 0.674 0.889 0.667 CB 1.105 10 residues pruned to eliminate duplicates Z: 22 11.523 1.894 0.509 0.520 0.857 0.714 CB 1.006 13 residues pruned to eliminate duplicates Z: 12 8.349 1.909 0.261 0.764 0.909 0.727 CB 0.910 12 residues pruned to eliminate duplicates Z: 24 12.000 1.938 0.332 0.469 0.870 0.522 CB 1.150 24 residues pruned to eliminate duplicates Z: 18 11.154 1.971 0.316 0.549 0.765 0.471 CB 1.300 18 residues pruned to eliminate duplicates Z: 15 10.359 1.919 0.465 0.592 0.857 0.500 CB 1.051 15 residues pruned to eliminate duplicates Z: 15 12.620 1.943 0.560 0.618 0.857 0.643 CB 1.161 15 residues pruned to eliminate duplicates Z: 19 12.014 1.917 0.442 0.573 0.778 0.667 CB 1.228 14 residues pruned to eliminate duplicates Z: 6 2.642 1.343 0.351 0.274 0.800 0.400 O 1.052 3 residues pruned to eliminate duplicates Z: 6 5.195 1.650 0.811 0.267 0.800 0.400 N 1.267 6 residues pruned to eliminate duplicates Z: 19 9.520 1.792 0.386 0.318 0.889 0.500 CB 1.243 19 residues pruned to eliminate duplicates Z: 20 6.146 1.726 0.561 0.239 0.737 0.474 CB 0.961 32 residues pruned to eliminate duplicates Z: 13 8.460 1.857 0.431 0.431 0.917 0.667 CB 1.077 13 residues pruned to eliminate duplicates Z: 14 7.485 1.817 0.434 0.420 0.769 0.538 CB 1.126 14 residues pruned to eliminate duplicates Z: 25 13.106 1.805 0.384 0.574 0.875 0.542 CB 1.139 25 residues pruned to eliminate duplicates Z: 10 10.918 1.966 0.468 0.577 1.000 0.667 CB 1.171 10 residues pruned to eliminate duplicates Z: 7 6.578 1.834 0.734 0.565 0.833 0.500 CB 0.951 7 residues pruned to eliminate duplicates Z: 18 8.949 1.770 0.634 0.496 0.647 0.294 CB 1.165 18 residues pruned to eliminate duplicates Z: 18 17.332 1.942 0.706 0.560 0.824 0.529 CB 1.454 18 residues pruned to eliminate duplicates Z: 19 10.045 1.901 0.399 0.381 0.889 0.333 CB 1.136 19 residues pruned to eliminate duplicates Z: 10 5.925 1.646 0.260 0.581 0.778 0.222 CB 1.132 10 residues pruned to eliminate duplicates Z: 7 9.009 1.955 0.330 0.543 1.000 0.667 CB 1.357 7 residues pruned to eliminate duplicates Z: 29 15.953 1.792 0.406 0.608 0.821 0.429 CB 1.315 29 residues pruned to eliminate duplicates Z: 30 23.548 1.956 0.571 0.625 0.966 0.621 CB 1.310 30 residues pruned to eliminate duplicates Z: 22 19.721 1.970 0.371 0.708 0.952 0.714 CB 1.385 22 residues pruned to eliminate duplicates Z: 19 13.098 1.916 0.693 0.553 0.833 0.667 CB 1.084 19 residues pruned to eliminate duplicates Z: 18 13.351 1.921 0.415 0.566 0.765 0.294 CB 1.461 18 residues pruned to eliminate duplicates Z: 14 17.894 1.992 0.696 0.727 0.846 0.769 CB 1.416 14 residues pruned to eliminate duplicates Z: 26 16.051 1.883 0.522 0.580 0.880 0.560 CB 1.178 26 residues pruned to eliminate duplicates Z: 16 20.793 1.965 0.607 0.687 1.000 0.667 CB 1.431 16 residues pruned to eliminate duplicates Z: 23 23.310 1.964 0.742 0.680 0.909 0.773 CB 1.354 23 residues pruned to eliminate duplicates Z: 13 7.761 1.749 0.727 0.552 0.833 0.500 CB 0.845 13 residues pruned to eliminate duplicates Z: 26 15.674 1.834 0.790 0.597 0.720 0.520 CB 1.209 26 residues pruned to eliminate duplicates Z: 22 19.073 1.943 0.666 0.485 0.905 0.381 CB 1.443 22 residues pruned to eliminate duplicates Z: 26 18.082 1.881 0.644 0.453 0.920 0.520 CB 1.334 26 residues pruned to eliminate duplicates Z: 23 12.899 1.859 0.863 0.284 0.773 0.318 CB 1.310 23 residues pruned to eliminate duplicates Z: 24 21.239 1.908 0.852 0.462 0.913 0.522 CB 1.427 24 residues pruned to eliminate duplicates Z: 21 14.578 1.884 0.727 0.356 0.850 0.400 CB 1.376 21 residues pruned to eliminate duplicates Z: 10 10.842 1.844 0.558 0.441 0.889 0.556 N 1.505 10 residues pruned to eliminate duplicates Z: 22 22.456 1.966 0.760 0.538 0.952 0.429 CB 1.432 22 residues pruned to eliminate duplicates Z: 6 8.389 1.911 0.675 0.581 0.800 0.600 N 1.355 6 residues pruned to eliminate duplicates Z: 40 18.132 1.798 0.626 0.464 0.872 0.359 CB 1.181 40 residues pruned to eliminate duplicates Z: 28 16.124 1.804 0.554 0.489 0.852 0.593 CB 1.314 28 residues pruned to eliminate duplicates Z: 18 7.299 1.654 0.711 0.317 0.765 0.529 N 1.001 18 residues pruned to eliminate duplicates Z: 12 9.426 1.874 0.380 0.706 0.727 0.455 CB 1.253 12 residues pruned to eliminate duplicates Z: 15 16.404 1.886 0.617 0.795 0.929 0.571 CB 1.195 15 residues pruned to eliminate duplicates Z: 14 19.727 1.888 0.806 0.865 1.000 0.462 CB 1.175 14 residues pruned to eliminate duplicates Z: 19 15.525 1.836 0.572 0.792 0.889 0.667 CB 1.104 19 residues pruned to eliminate duplicates Z: 18 16.114 1.822 0.524 0.749 0.941 0.706 CB 1.197 18 residues pruned to eliminate duplicates Z: 16 17.771 1.906 0.696 0.831 0.933 0.667 CB 1.142 16 residues pruned to eliminate duplicates Z: 17 15.426 1.841 0.561 0.765 0.938 0.625 CB 1.132 17 residues pruned to eliminate duplicates Z: 25 11.786 1.656 0.584 0.584 0.792 0.458 CB 1.069 25 residues pruned to eliminate duplicates Z: 16 16.800 1.881 0.726 0.719 0.867 0.667 CB 1.265 16 residues pruned to eliminate duplicates Z: 15 20.206 1.922 0.801 0.787 1.000 0.571 CB 1.212 15 residues pruned to eliminate duplicates Z: 22 14.300 1.775 0.629 0.548 0.857 0.476 CB 1.201 22 residues pruned to eliminate duplicates Z: 16 20.216 1.902 0.728 0.894 0.867 0.733 CB 1.315 16 residues pruned to eliminate duplicates Z: 16 20.390 1.886 0.752 0.864 0.933 0.733 CB 1.251 16 residues pruned to eliminate duplicates Z: 16 19.903 1.875 0.953 0.861 1.000 0.667 CB 1.031 16 residues pruned to eliminate duplicates Z: 18 20.763 1.779 0.891 0.822 1.000 0.765 CB 1.132 18 residues pruned to eliminate duplicates Z: 18 7.886 1.886 0.364 0.430 0.882 0.471 CB 0.906 18 residues pruned to eliminate duplicates Z: 14 8.211 1.947 0.394 0.427 0.923 0.615 CB 0.981 14 residues pruned to eliminate duplicates Z: 11 10.847 2.032 0.460 0.398 1.000 0.700 CB 1.288 11 residues pruned to eliminate duplicates Z: 18 7.286 1.887 0.364 0.287 0.824 0.471 CB 1.059 18 residues pruned to eliminate duplicates Z: 13 7.852 2.062 0.582 0.361 0.750 0.583 CB 1.077 13 residues pruned to eliminate duplicates Z: 16 8.547 1.970 0.712 0.258 0.733 0.467 CB 1.177 16 residues pruned to eliminate duplicates Z: 13 10.526 1.985 0.758 0.317 0.917 0.583 CB 1.163 13 residues pruned to eliminate duplicates Z: 11 10.856 2.104 0.480 0.372 0.900 0.700 CB 1.404 11 residues pruned to eliminate duplicates Z: 13 10.700 2.029 0.667 0.293 1.000 0.500 CB 1.151 13 residues pruned to eliminate duplicates Z: 11 8.661 2.073 0.593 0.249 0.800 0.600 CB 1.385 11 residues pruned to eliminate duplicates Z: 13 6.592 1.955 0.445 0.146 0.917 0.500 CB 1.137 13 residues pruned to eliminate duplicates Z: 16 11.025 2.028 0.544 0.341 0.800 0.333 CB 1.352 16 residues pruned to eliminate duplicates Z: 24 9.975 1.900 0.513 0.244 0.783 0.435 CB 1.242 24 residues pruned to eliminate duplicates Z: 20 11.999 1.991 0.796 0.265 0.842 0.316 CB 1.195 20 residues pruned to eliminate duplicates Z: 11 6.613 1.996 0.476 0.245 0.800 0.600 CB 1.191 11 residues pruned to eliminate duplicates Z: 16 10.477 2.006 0.620 0.315 0.800 0.467 CB 1.276 16 residues pruned to eliminate duplicates Z: 18 10.028 1.973 0.608 0.279 0.824 0.529 CB 1.196 18 residues pruned to eliminate duplicates Z: 20 10.110 1.962 0.353 0.333 0.789 0.632 CB 1.329 20 residues pruned to eliminate duplicates Z: 16 7.861 1.950 0.341 0.282 0.933 0.533 CB 1.064 16 residues pruned to eliminate duplicates Z: 26 9.873 1.929 0.333 0.255 0.880 0.560 CB 1.156 26 residues pruned to eliminate duplicates Z: 25 8.432 1.881 0.342 0.350 0.792 0.625 CB 1.014 25 residues pruned to eliminate duplicates Z: 24 9.520 1.985 0.248 0.300 0.913 0.696 CB 1.097 24 residues pruned to eliminate duplicates Z: 13 7.308 1.794 0.254 0.335 0.833 0.500 CB 1.348 13 residues pruned to eliminate duplicates Z: 11 5.158 1.757 0.135 0.247 0.800 0.500 N 1.368 11 residues pruned to eliminate duplicates Z: 16 9.246 1.827 0.371 0.361 0.800 0.467 CB 1.383 35 residues pruned to eliminate duplicates Z: 9 10.071 1.751 0.355 0.781 1.000 1.000 O 1.171 9 residues pruned to eliminate duplicates Z: 28 15.850 1.974 0.500 0.392 0.889 0.519 CB 1.299 28 residues pruned to eliminate duplicates Z: 29 12.011 1.887 0.379 0.286 0.857 0.536 CB 1.294 29 residues pruned to eliminate duplicates Z: 16 9.625 1.837 0.293 0.407 0.867 0.600 CB 1.331 16 residues pruned to eliminate duplicates Z: 29 11.656 1.901 0.479 0.284 0.786 0.429 CB 1.272 29 residues pruned to eliminate duplicates Z: 16 8.334 1.807 0.344 0.381 0.867 0.600 CB 1.161 16 residues pruned to eliminate duplicates Z: 9 3.922 1.602 0.413 0.389 0.750 0.375 O 0.919 9 residues pruned to eliminate duplicates Z: 7 3.771 1.564 0.141 0.441 0.833 0.500 O 1.100 7 residues pruned to eliminate duplicates Z: 18 18.565 1.938 0.450 0.793 0.882 0.824 CB 1.405 18 residues pruned to eliminate duplicates Z: 17 14.792 1.816 0.408 0.736 0.875 0.625 CB 1.337 17 residues pruned to eliminate duplicates Z: 8 5.265 1.756 0.422 0.258 0.714 0.286 CB 1.471 8 residues pruned to eliminate duplicates Z: 19 21.051 1.833 0.582 0.800 1.000 0.778 CB 1.316 19 residues pruned to eliminate duplicates Z: 38 22.643 1.875 0.559 0.669 0.892 0.622 CB 1.221 38 residues pruned to eliminate duplicates Z: 20 21.577 1.937 0.487 0.823 1.000 0.684 CB 1.299 19 residues pruned to eliminate duplicates Z: 18 25.357 1.834 0.658 0.908 1.000 0.588 CB 1.436 18 residues pruned to eliminate duplicates Z: 33 15.376 1.846 0.349 0.541 0.844 0.531 CB 1.243 33 residues pruned to eliminate duplicates Z: 45 22.738 1.900 0.450 0.595 0.818 0.614 CB 1.389 45 residues pruned to eliminate duplicates Z: 28 18.449 1.913 0.681 0.616 0.778 0.444 CB 1.271 28 residues pruned to eliminate duplicates Z: 18 24.592 1.936 0.615 0.851 1.000 0.706 CB 1.412 18 residues pruned to eliminate duplicates Z: 30 20.712 1.963 0.592 0.608 0.931 0.690 CB 1.192 33 residues pruned to eliminate duplicates Z: 18 22.643 1.941 0.647 0.846 0.941 0.706 CB 1.357 18 residues pruned to eliminate duplicates Z: 20 19.322 1.890 0.614 0.780 0.947 0.684 CB 1.199 20 residues pruned to eliminate duplicates Z: 17 22.653 1.993 0.677 0.870 0.938 0.625 CB 1.320 17 residues pruned to eliminate duplicates Z: 30 17.092 1.928 0.653 0.575 0.862 0.483 CB 1.075 30 residues pruned to eliminate duplicates Z: 26 24.074 1.949 0.743 0.739 0.920 0.520 CB 1.243 26 residues pruned to eliminate duplicates Z: 30 18.123 1.903 0.541 0.651 0.862 0.552 CB 1.156 30 residues pruned to eliminate duplicates Z: 27 19.663 1.874 0.634 0.584 0.923 0.538 CB 1.259 27 residues pruned to eliminate duplicates Z: 23 14.871 1.921 0.619 0.613 0.773 0.364 CB 1.185 23 residues pruned to eliminate duplicates Z: 20 12.413 1.782 0.400 0.441 0.947 0.421 CB 1.280 20 residues pruned to eliminate duplicates Z: 37 18.593 1.905 0.553 0.593 0.861 0.500 CB 1.113 37 residues pruned to eliminate duplicates Z: 37 21.284 1.925 0.462 0.603 0.861 0.528 CB 1.326 37 residues pruned to eliminate duplicates Z: 13 10.895 1.923 0.565 0.411 0.833 0.417 CB 1.377 13 residues pruned to eliminate duplicates Z: 37 21.591 1.876 0.621 0.590 0.917 0.417 CB 1.185 37 residues pruned to eliminate duplicates Z: 35 18.238 1.875 0.501 0.539 0.824 0.500 CB 1.299 35 residues pruned to eliminate duplicates Z: 18 14.996 1.914 0.436 0.488 0.941 0.471 CB 1.423 18 residues pruned to eliminate duplicates Z: 35 27.804 1.936 0.814 0.659 0.912 0.647 CB 1.285 35 residues pruned to eliminate duplicates Z: 36 25.631 1.919 0.610 0.676 0.943 0.714 CB 1.265 36 residues pruned to eliminate duplicates Z: 18 15.935 1.800 0.680 0.520 0.941 0.588 N 1.332 18 residues pruned to eliminate duplicates Z: 34 18.478 1.844 0.653 0.533 0.818 0.455 CB 1.248 34 residues pruned to eliminate duplicates Z: 21 17.097 1.879 0.649 0.528 0.900 0.600 CB 1.334 21 residues pruned to eliminate duplicates Z: 38 25.625 1.902 0.752 0.665 0.946 0.541 CB 1.147 38 residues pruned to eliminate duplicates Z: 23 17.750 1.823 0.733 0.533 0.864 0.636 CB 1.343 23 residues pruned to eliminate duplicates Z: 49 32.095 1.882 0.620 0.680 0.979 0.688 CB 1.315 44 residues pruned to eliminate duplicates Z: 15 24.004 1.887 0.687 0.899 1.000 0.929 CB 1.441 20 residues pruned to eliminate duplicates Z: 16 19.597 1.786 0.725 0.846 0.933 0.800 CB 1.307 16 residues pruned to eliminate duplicates Z: 25 21.640 1.906 0.700 0.561 0.917 0.667 CB 1.402 25 residues pruned to eliminate duplicates Z: 16 23.263 1.800 0.762 0.847 0.933 0.733 CB 1.507 16 residues pruned to eliminate duplicates Z: 55 29.652 1.846 0.728 0.573 0.889 0.648 CB 1.326 40 residues pruned to eliminate duplicates Z: 16 22.455 1.866 0.688 0.832 0.933 0.733 CB 1.480 16 residues pruned to eliminate duplicates Z: 40 24.238 1.886 0.625 0.562 0.897 0.590 CB 1.328 40 residues pruned to eliminate duplicates Z: 49 31.274 1.921 0.688 0.649 0.875 0.604 CB 1.385 49 residues pruned to eliminate duplicates Z: 32 23.959 1.897 0.602 0.596 0.935 0.645 CB 1.381 32 residues pruned to eliminate duplicates Z: 32 23.772 1.865 0.607 0.571 0.903 0.645 CB 1.473 32 residues pruned to eliminate duplicates Z: 30 22.995 1.933 0.521 0.612 0.931 0.621 CB 1.403 30 residues pruned to eliminate duplicates Z: 30 21.719 1.898 0.574 0.598 0.862 0.448 CB 1.426 30 residues pruned to eliminate duplicates Z: 14 9.906 1.863 0.326 0.489 0.923 0.615 CB 1.219 14 residues pruned to eliminate duplicates Z: 8 9.475 1.859 0.639 0.625 1.000 0.714 CB 1.045 9 residues pruned to eliminate duplicates Z: 6 9.788 1.924 0.337 0.822 1.000 0.400 CB 1.288 6 residues pruned to eliminate duplicates Z: 11 8.126 1.895 0.274 0.466 0.800 0.600 CB 1.377 13 residues pruned to eliminate duplicates Z: 9 5.557 1.822 0.185 0.561 0.750 0.000 CB 1.144 9 residues pruned to eliminate duplicates Z: 11 5.371 1.802 0.440 0.302 0.700 0.100 CB 1.165 11 residues pruned to eliminate duplicates Z: 6 2.345 2.088 0.168 0.360 0.400 0.000 CB 1.250 Z: 7 6.621 1.935 0.263 0.643 1.000 0.333 CB 0.968 13 residues pruned to eliminate duplicates Z: 19 11.621 1.874 0.441 0.606 0.889 0.444 CB 1.032 19 residues pruned to eliminate duplicates Z: 13 11.868 1.958 0.848 0.614 0.750 0.500 CB 1.134 13 residues pruned to eliminate duplicates Z: 15 10.579 1.872 0.803 0.675 0.714 0.286 CB 0.999 15 residues pruned to eliminate duplicates Z: 13 9.922 1.906 0.547 0.701 0.833 0.417 CB 0.970 13 residues pruned to eliminate duplicates Z: 17 11.063 1.951 0.596 0.560 0.812 0.375 CB 1.032 17 residues pruned to eliminate duplicates Z: 13 11.301 1.951 0.623 0.587 0.833 0.417 CB 1.137 13 residues pruned to eliminate duplicates Z: 21 16.755 1.898 0.655 0.707 0.900 0.500 CB 1.098 21 residues pruned to eliminate duplicates Z: 16 16.356 1.809 0.988 0.780 0.933 0.467 CB 0.983 16 residues pruned to eliminate duplicates Z: 15 17.344 1.878 0.928 0.804 0.929 0.571 CB 1.057 15 residues pruned to eliminate duplicates Z: 30 17.568 1.848 0.640 0.585 0.897 0.448 CB 1.106 30 residues pruned to eliminate duplicates Z: 25 18.287 1.896 0.660 0.647 0.875 0.583 CB 1.182 25 residues pruned to eliminate duplicates Z: 19 18.964 1.938 0.767 0.746 0.889 0.556 CB 1.178 19 residues pruned to eliminate duplicates Z: 26 15.968 1.870 0.691 0.590 0.800 0.360 CB 1.158 26 residues pruned to eliminate duplicates Z: 26 19.041 1.895 0.701 0.664 0.920 0.680 CB 1.103 26 residues pruned to eliminate duplicates Z: 18 18.733 1.847 0.728 0.690 1.000 0.647 CB 1.197 18 residues pruned to eliminate duplicates Z: 22 19.500 1.850 0.707 0.703 1.000 0.619 CB 1.120 22 residues pruned to eliminate duplicates Z: 22 20.983 1.908 0.688 0.697 1.000 0.810 CB 1.188 29 residues pruned to eliminate duplicates Z: 7 11.137 1.855 0.376 0.807 1.000 0.667 N 1.362 7 residues pruned to eliminate duplicates Z: 10 9.467 1.641 0.552 0.770 1.000 0.667 CB 0.975 10 residues pruned to eliminate duplicates Z: 9 9.345 1.693 0.431 0.532 1.000 0.500 N 1.321 9 residues pruned to eliminate duplicates Z: 9 14.735 1.704 0.847 0.861 1.000 0.750 N 1.216 9 residues pruned to eliminate duplicates Z: 10 8.331 1.656 0.575 0.754 1.000 0.667 CB 0.849 10 residues pruned to eliminate duplicates Z: 16 7.209 1.800 0.372 0.414 0.800 0.133 CB 1.030 16 residues pruned to eliminate duplicates Z: 16 8.024 1.761 0.262 0.447 0.867 0.133 CB 1.135 16 residues pruned to eliminate duplicates Z: 17 8.639 1.817 0.365 0.412 0.812 0.438 CB 1.176 17 residues pruned to eliminate duplicates Z: 17 5.206 1.729 0.484 0.334 0.625 0.125 CB 0.973 17 residues pruned to eliminate duplicates Z: 18 7.269 1.743 0.361 0.410 0.765 0.235 CB 1.068 18 residues pruned to eliminate duplicates Z: 11 5.699 1.597 0.486 0.349 0.800 0.400 CB 1.117 11 residues pruned to eliminate duplicates 477 residues left after pruning, divided into chains as follows: A: 14 B: 20 C: 10 D: 23 E: 9 F: 50 G: 8 H: 11 I: 8 J: 9 K: 13 L: 18 M: 26 N: 15 O: 19 P: 27 Q: 27 R: 26 S: 49 T: 77 U: 18 CC for partial structure against native data = 32.48 % ------------------------------------------------------------------------------ Global autotracing cycle 6 Phases from autotracing cycle 3 used as input for final density modification = 0.300, Contrast = 0.602, Connect. = 0.672 for dens.mod. cycle 1 = 0.300, Contrast = 0.708, Connect. = 0.706 for dens.mod. cycle 2 = 0.300, Contrast = 0.825, Connect. = 0.740 for dens.mod. cycle 3 = 0.300, Contrast = 0.845, Connect. = 0.743 for dens.mod. cycle 4 = 0.300, Contrast = 0.861, Connect. = 0.747 for dens.mod. cycle 5 = 0.300, Contrast = 0.865, Connect. = 0.749 for dens.mod. cycle 6 = 0.300, Contrast = 0.870, Connect. = 0.751 for dens.mod. cycle 7 = 0.300, Contrast = 0.870, Connect. = 0.752 for dens.mod. cycle 8 = 0.300, Contrast = 0.870, Connect. = 0.753 for dens.mod. cycle 9 TimeTaking 83.07