++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 19:54:16 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: ./1zko-1.6-parrot-mrncs/1zko-1.6-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./1zko-1.6-parrot-mrncs/1zko-1.6-parrot-mrncs.ins Phases from ./1zko-1.6-parrot-mrncs/1zko-1.6-parrot-mrncs.phi Native data from ./1zko-1.6-parrot-mrncs/1zko-1.6-parrot-mrncs.hkl Listing output to ./1zko-1.6-parrot-mrncs/1zko-1.6-parrot-mrncs.lst Phases output to ./1zko-1.6-parrot-mrncs/1zko-1.6-parrot-mrncs.phs Poly-Ala trace output to ./1zko-1.6-parrot-mrncs/1zko-1.6-parrot-mrncs.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 21 21 21 Allowed origin shift code: 4 31574 Reflections read from file ./1zko-1.6-parrot-mrncs/1zko-1.6-parrot-mrncs.phi 31574 Reflections read from file ./1zko-1.6-parrot-mrncs/1zko-1.6-parrot-mrncs.hkl 31574 Unique data, highest resolution = 1.560 Angstroms Anisotropic scaling: intensities multiplied by 0.000457h^2 +0.000067k^2 -0.000225l^2 +0.000000kl +0.000000hl +0.000000hk 741 Reflections with d > 1.760 and 0 in range 1.760 > d > 1.560 added Density sharpening factor set to 1.41 Fourier grid = 128 x 128 x 34 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 40 Extra Fourier layers will be generated <|E^2-1|> = 0.818 = 0.300, Contrast = 0.280, Connect. = 0.680 for dens.mod. cycle 1 = 0.300, Contrast = 0.368, Connect. = 0.717 for dens.mod. cycle 2 = 0.300, Contrast = 0.463, Connect. = 0.755 for dens.mod. cycle 3 = 0.300, Contrast = 0.491, Connect. = 0.762 for dens.mod. cycle 4 = 0.300, Contrast = 0.511, Connect. = 0.767 for dens.mod. cycle 5 = 0.300, Contrast = 0.521, Connect. = 0.769 for dens.mod. cycle 6 = 0.300, Contrast = 0.533, Connect. = 0.772 for dens.mod. cycle 7 = 0.300, Contrast = 0.539, Connect. = 0.772 for dens.mod. cycle 8 = 0.300, Contrast = 0.547, Connect. = 0.774 for dens.mod. cycle 9 = 0.300, Contrast = 0.551, Connect. = 0.773 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1862 peaks > 0.5 sigma used to seed fragment search Space for about 269 unique residues taking solvent into account 340 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 44 28.781 2.105 0.801 0.467 0.907 0.465 CB 1.320 B: 6 14.092 2.105 0.243 0.878 1.000 1.000 C 1.748 C: 33 21.999 2.084 0.648 0.466 0.906 0.531 CB 1.294 33 residues pruned to eliminate duplicates D: 10 7.082 1.852 0.837 0.300 0.556 0.444 N 1.562 E: 29 21.917 2.075 0.583 0.582 0.893 0.750 CB 1.305 6 residues pruned to eliminate duplicates F: 28 23.060 2.054 0.755 0.546 0.889 0.630 CB 1.324 29 residues pruned to eliminate duplicates G: 55 33.072 2.079 0.823 0.506 0.907 0.630 CB 1.301 28 residues pruned to eliminate duplicates H: 55 30.291 1.993 0.755 0.443 0.889 0.444 CB 1.407 21 residues pruned to eliminate duplicates I: 14 21.185 2.178 0.973 0.543 0.923 0.538 CB 1.421 J: 14 11.250 1.755 0.619 0.410 0.923 0.308 N 1.307 24 residues pruned to eliminate duplicates K: 11 17.881 1.661 1.119 0.897 1.000 0.800 CB 1.151 L: 26 22.395 2.065 1.015 0.434 0.920 0.520 CB 1.253 26 residues pruned to eliminate duplicates M: 39 26.817 1.893 0.897 0.521 0.868 0.579 CB 1.365 19 residues pruned to eliminate duplicates N: 7 14.217 2.072 0.363 0.907 1.000 1.000 CB 1.461 O: 25 22.684 2.074 0.874 0.451 0.917 0.625 CB 1.367 25 residues pruned to eliminate duplicates P: 25 23.382 2.031 0.805 0.510 0.958 0.667 CB 1.345 25 residues pruned to eliminate duplicates Q: 11 8.544 1.861 0.743 0.441 0.800 0.700 CB 1.106 11 residues pruned to eliminate duplicates R: 17 18.047 1.972 1.000 0.470 0.938 0.500 CB 1.258 12 residues pruned to eliminate duplicates S: 31 24.218 2.025 0.725 0.576 0.900 0.700 CB 1.307 31 residues pruned to eliminate duplicates T: 33 24.073 2.019 0.832 0.531 0.875 0.625 CB 1.275 11 residues pruned to eliminate duplicates U: 7 10.179 1.946 0.512 0.890 0.833 0.833 CB 1.219 7 residues pruned to eliminate duplicates V: 10 18.809 1.822 0.764 0.891 1.000 0.889 CB 1.402 11 residues pruned to eliminate duplicates W: 20 12.477 1.843 0.768 0.552 0.789 0.526 CB 1.058 20 residues pruned to eliminate duplicates X: 10 15.888 1.774 0.587 0.896 1.000 0.778 CB 1.348 10 residues pruned to eliminate duplicates Y: 8 9.503 1.968 -0.036 0.901 1.000 1.000 CB 1.351 8 residues pruned to eliminate duplicates Z: 11 17.819 2.040 1.087 0.441 1.000 0.600 CB 1.407 11 residues pruned to eliminate duplicates Z: 30 22.139 2.045 0.671 0.559 0.862 0.655 CB 1.318 30 residues pruned to eliminate duplicates Z: 21 25.300 2.133 1.032 0.483 0.950 0.500 CB 1.397 21 residues pruned to eliminate duplicates Z: 24 28.039 1.950 1.046 0.545 0.913 0.609 CB 1.536 26 residues pruned to eliminate duplicates Z: 10 11.487 1.731 0.352 0.890 1.000 0.889 CB 1.178 10 residues pruned to eliminate duplicates Z: 20 26.509 1.945 1.046 0.578 0.947 0.737 CB 1.496 20 residues pruned to eliminate duplicates Z: 30 23.661 2.032 0.933 0.421 0.931 0.621 CB 1.304 30 residues pruned to eliminate duplicates Z: 38 24.168 2.021 0.745 0.398 0.919 0.514 CB 1.365 38 residues pruned to eliminate duplicates Z: 27 19.854 1.993 0.946 0.425 0.923 0.615 CB 1.175 27 residues pruned to eliminate duplicates Z: 6 10.520 1.911 0.615 0.834 1.000 0.600 CA 1.143 6 residues pruned to eliminate duplicates Z: 23 18.560 1.904 0.823 0.483 0.864 0.682 CB 1.343 23 residues pruned to eliminate duplicates Z: 75 33.924 1.946 0.740 0.508 0.892 0.500 CB 1.296 56 residues pruned to eliminate duplicates Z: 19 30.606 1.988 1.063 0.628 1.000 0.611 CB 1.560 19 residues pruned to eliminate duplicates Z: 16 8.294 1.904 0.605 0.433 0.800 0.600 CB 0.939 16 residues pruned to eliminate duplicates Z: 25 18.870 2.003 0.577 0.525 0.917 0.583 CB 1.299 25 residues pruned to eliminate duplicates Z: 9 14.329 1.734 0.555 0.885 1.000 0.625 C 1.357 9 residues pruned to eliminate duplicates Z: 10 13.763 1.632 0.663 0.896 1.000 1.000 CA 1.210 10 residues pruned to eliminate duplicates Z: 10 18.632 1.738 1.034 0.920 1.000 1.000 CB 1.238 10 residues pruned to eliminate duplicates Z: 10 17.102 1.733 0.977 0.898 1.000 1.000 CB 1.191 10 residues pruned to eliminate duplicates Z: 16 12.308 1.994 0.913 0.473 0.667 0.533 CB 1.284 15 residues pruned to eliminate duplicates Z: 7 3.635 1.922 0.275 0.366 0.667 0.500 CB 1.048 7 residues pruned to eliminate duplicates Z: 14 18.124 2.096 0.706 0.573 1.000 0.538 CB 1.310 15 residues pruned to eliminate duplicates Z: 9 9.644 2.098 0.476 0.665 0.625 0.375 CB 1.513 9 residues pruned to eliminate duplicates Z: 12 12.334 1.834 0.716 0.523 0.909 0.455 CB 1.271 12 residues pruned to eliminate duplicates Z: 10 6.468 1.996 0.317 0.305 0.889 0.667 CB 1.146 Z: 7 5.965 1.753 0.246 0.673 0.833 0.500 CB 1.141 7 residues pruned to eliminate duplicates Z: 16 11.000 1.943 0.515 0.443 0.933 0.400 CB 1.097 16 residues pruned to eliminate duplicates Z: 72 38.078 1.957 0.781 0.529 0.944 0.535 CB 1.335 71 residues pruned to eliminate duplicates Z: 14 20.823 2.165 1.177 0.550 0.769 0.462 CB 1.516 14 residues pruned to eliminate duplicates Z: 20 25.129 2.003 0.984 0.641 0.895 0.579 CB 1.421 14 residues pruned to eliminate duplicates Z: 11 17.157 1.702 0.924 0.925 1.000 1.000 CB 1.162 11 residues pruned to eliminate duplicates Z: 7 15.998 2.056 0.474 0.885 1.000 0.667 CB 1.556 11 residues pruned to eliminate duplicates Z: 9 14.176 1.717 0.838 0.868 1.000 0.875 CB 1.161 9 residues pruned to eliminate duplicates Z: 12 7.958 1.622 0.971 0.412 0.727 0.455 CB 1.131 12 residues pruned to eliminate duplicates Z: 22 8.810 1.539 0.889 0.418 0.762 0.429 CA 0.945 22 residues pruned to eliminate duplicates Z: 7 7.709 1.882 0.551 0.420 0.833 0.667 CB 1.406 7 residues pruned to eliminate duplicates Z: 18 17.129 1.935 0.790 0.527 0.941 0.706 CB 1.241 18 residues pruned to eliminate duplicates Z: 7 3.125 1.633 0.326 0.483 0.833 0.667 CB 0.719 7 residues pruned to eliminate duplicates Z: 55 30.341 2.065 0.832 0.464 0.889 0.593 CB 1.273 45 residues pruned to eliminate duplicates Z: 10 16.970 1.777 0.708 0.877 1.000 0.667 CB 1.353 10 residues pruned to eliminate duplicates Z: 22 18.168 1.847 0.806 0.538 0.905 0.619 CB 1.265 22 residues pruned to eliminate duplicates Z: 7 18.650 2.117 0.675 0.892 1.000 0.667 CA 1.543 7 residues pruned to eliminate duplicates Z: 6 6.332 1.757 0.480 0.808 0.800 0.600 CA 1.040 6 residues pruned to eliminate duplicates Z: 12 14.867 1.949 0.754 0.441 0.909 0.545 CB 1.532 12 residues pruned to eliminate duplicates Z: 57 30.223 2.035 0.811 0.412 0.875 0.571 CB 1.374 57 residues pruned to eliminate duplicates Z: 7 16.972 2.074 0.604 0.892 1.000 1.000 CB 1.497 7 residues pruned to eliminate duplicates Z: 7 8.706 1.913 0.542 0.823 0.667 0.667 CB 1.366 7 residues pruned to eliminate duplicates Z: 52 31.747 1.918 0.856 0.547 0.922 0.471 CB 1.294 52 residues pruned to eliminate duplicates Z: 23 14.887 1.899 0.650 0.481 0.818 0.682 CB 1.263 23 residues pruned to eliminate duplicates Z: 32 17.358 1.903 0.864 0.420 0.839 0.548 CB 1.139 32 residues pruned to eliminate duplicates Z: 10 16.564 1.764 0.808 0.918 1.000 0.889 CB 1.221 10 residues pruned to eliminate duplicates Z: 42 23.675 1.985 0.642 0.500 0.854 0.537 CB 1.329 42 residues pruned to eliminate duplicates Z: 10 15.408 1.618 0.925 0.892 1.000 0.889 CB 1.184 11 residues pruned to eliminate duplicates Z: 21 15.791 1.864 0.800 0.460 0.800 0.400 CB 1.370 21 residues pruned to eliminate duplicates Z: 6 9.140 1.975 0.318 0.841 0.800 0.800 CB 1.464 6 residues pruned to eliminate duplicates Z: 53 25.604 2.038 0.675 0.446 0.865 0.500 CB 1.270 53 residues pruned to eliminate duplicates Z: 10 12.627 1.767 0.375 0.882 1.000 0.889 CB 1.253 10 residues pruned to eliminate duplicates Z: 29 25.843 2.058 0.881 0.505 0.929 0.607 CB 1.352 29 residues pruned to eliminate duplicates Z: 54 29.340 1.911 0.824 0.537 0.925 0.623 CB 1.206 54 residues pruned to eliminate duplicates Z: 6 4.784 1.392 0.335 0.701 1.000 0.400 CA 0.959 7 residues pruned to eliminate duplicates Z: 7 12.369 2.073 0.218 0.902 1.000 1.000 CB 1.427 7 residues pruned to eliminate duplicates Z: 9 11.179 1.754 0.463 0.742 1.000 0.500 CB 1.240 9 residues pruned to eliminate duplicates Z: 63 29.080 1.943 0.748 0.523 0.871 0.468 CB 1.220 63 residues pruned to eliminate duplicates Z: 12 8.891 1.924 0.517 0.527 1.000 0.727 CB 0.895 12 residues pruned to eliminate duplicates Z: 51 28.790 1.995 0.762 0.444 0.920 0.460 CB 1.333 51 residues pruned to eliminate duplicates Z: 8 4.260 1.370 0.694 0.321 0.714 0.429 O 1.183 10 residues pruned to eliminate duplicates Z: 36 25.564 2.046 0.868 0.511 0.857 0.600 CB 1.304 36 residues pruned to eliminate duplicates Z: 29 24.277 1.918 0.878 0.575 0.964 0.679 CB 1.228 29 residues pruned to eliminate duplicates Z: 10 14.705 1.515 1.218 0.901 1.000 0.778 CB 1.041 10 residues pruned to eliminate duplicates Z: 9 25.621 1.926 1.219 0.923 1.000 0.875 CB 1.489 9 residues pruned to eliminate duplicates Z: 10 13.783 1.684 0.581 0.876 1.000 0.889 CB 1.255 10 residues pruned to eliminate duplicates Z: 6 4.641 1.772 0.123 0.492 0.800 0.400 CB 1.314 6 residues pruned to eliminate duplicates Z: 7 18.713 2.135 0.751 0.896 1.000 0.667 CB 1.464 7 residues pruned to eliminate duplicates Z: 22 18.459 1.865 0.599 0.559 0.952 0.286 CB 1.339 22 residues pruned to eliminate duplicates Z: 21 21.717 1.887 0.818 0.585 0.900 0.550 C 1.450 21 residues pruned to eliminate duplicates Z: 15 14.974 1.835 0.890 0.552 0.929 0.714 CB 1.181 15 residues pruned to eliminate duplicates Z: 20 22.362 2.013 0.784 0.582 0.895 0.632 CB 1.475 20 residues pruned to eliminate duplicates Z: 53 30.774 1.954 0.943 0.528 0.942 0.538 CB 1.161 48 residues pruned to eliminate duplicates Z: 8 10.017 1.895 0.578 0.829 0.857 0.429 CB 1.112 8 residues pruned to eliminate duplicates Z: 14 13.702 1.925 0.679 0.550 0.923 0.769 CB 1.213 14 residues pruned to eliminate duplicates Z: 7 8.903 1.810 0.618 0.804 0.833 0.500 CA 1.142 7 residues pruned to eliminate duplicates Z: 8 6.444 1.613 0.154 0.851 0.857 0.571 CB 1.130 8 residues pruned to eliminate duplicates Z: 8 15.735 1.974 0.546 0.904 1.000 1.000 CB 1.388 8 residues pruned to eliminate duplicates Z: 17 18.359 1.993 0.662 0.539 0.875 0.562 CB 1.524 17 residues pruned to eliminate duplicates Z: 22 23.156 1.971 0.834 0.631 0.952 0.667 CB 1.298 22 residues pruned to eliminate duplicates Z: 26 24.069 1.993 0.791 0.479 1.000 0.640 CB 1.378 26 residues pruned to eliminate duplicates Z: 7 7.963 1.829 0.692 0.799 0.833 0.667 CB 0.971 7 residues pruned to eliminate duplicates Z: 24 22.561 1.950 0.943 0.515 0.913 0.652 CB 1.340 24 residues pruned to eliminate duplicates Z: 6 6.226 1.920 0.578 0.622 1.000 0.800 CB 0.819 Z: 10 23.338 1.777 1.325 0.924 1.000 1.000 CB 1.322 10 residues pruned to eliminate duplicates Z: 12 16.208 2.078 0.700 0.627 0.909 0.727 CB 1.351 12 residues pruned to eliminate duplicates Z: 7 4.306 1.671 0.405 0.478 0.667 0.500 CB 1.147 7 residues pruned to eliminate duplicates Z: 6 9.756 1.836 0.301 0.809 1.000 0.800 CA 1.395 6 residues pruned to eliminate duplicates Z: 66 25.318 2.000 0.658 0.463 0.846 0.462 CB 1.162 66 residues pruned to eliminate duplicates Z: 14 14.161 1.889 0.621 0.531 1.000 0.462 CB 1.245 14 residues pruned to eliminate duplicates Z: 7 5.522 1.737 -0.102 0.776 0.833 0.667 CB 1.359 7 residues pruned to eliminate duplicates Z: 12 11.892 1.542 0.577 0.843 0.909 0.909 CA 1.208 18 residues pruned to eliminate duplicates Z: 39 24.041 2.012 0.749 0.473 0.947 0.605 CB 1.202 39 residues pruned to eliminate duplicates Z: 9 16.250 1.899 0.616 0.885 1.000 0.625 CB 1.352 9 residues pruned to eliminate duplicates Z: 20 21.613 2.009 0.876 0.574 0.842 0.684 CB 1.455 20 residues pruned to eliminate duplicates Z: 29 19.661 1.946 0.851 0.439 0.929 0.643 CB 1.183 29 residues pruned to eliminate duplicates Z: 29 20.471 2.001 0.816 0.432 0.929 0.607 CB 1.231 29 residues pruned to eliminate duplicates Z: 22 17.036 1.846 0.748 0.582 0.905 0.667 CB 1.177 22 residues pruned to eliminate duplicates Z: 45 20.537 1.882 0.551 0.442 0.909 0.523 CB 1.238 45 residues pruned to eliminate duplicates Z: 8 3.912 1.470 0.271 0.331 0.857 0.286 CA 1.111 8 residues pruned to eliminate duplicates Z: 7 5.902 1.572 0.958 0.668 0.833 0.667 CA 0.804 7 residues pruned to eliminate duplicates Z: 24 21.804 1.925 1.007 0.558 0.913 0.652 CB 1.218 24 residues pruned to eliminate duplicates Z: 8 10.866 1.785 0.333 0.754 1.000 0.571 CA 1.377 8 residues pruned to eliminate duplicates Z: 6 2.867 1.589 0.577 0.888 1.000 0.600 CB 0.369 6 residues pruned to eliminate duplicates Z: 8 16.710 1.897 0.836 0.836 1.000 0.714 CA 1.357 8 residues pruned to eliminate duplicates Z: 21 23.702 2.042 0.938 0.607 0.900 0.750 CB 1.344 21 residues pruned to eliminate duplicates Z: 18 16.923 1.997 0.519 0.549 0.882 0.647 CB 1.462 18 residues pruned to eliminate duplicates Z: 8 4.399 1.407 0.535 0.639 0.857 0.286 CB 0.788 8 residues pruned to eliminate duplicates Z: 11 6.975 1.627 0.432 0.530 0.900 0.600 CB 1.021 11 residues pruned to eliminate duplicates Z: 6 9.233 1.651 0.774 0.785 0.800 0.600 CA 1.370 6 residues pruned to eliminate duplicates Z: 6 8.955 1.917 0.507 0.811 1.000 0.800 CB 1.057 6 residues pruned to eliminate duplicates Z: 26 23.793 1.976 0.815 0.484 0.960 0.640 CB 1.405 26 residues pruned to eliminate duplicates Z: 10 17.273 1.803 0.680 0.906 1.000 0.889 CB 1.352 10 residues pruned to eliminate duplicates Z: 24 15.538 1.988 0.663 0.544 0.870 0.391 CB 1.080 24 residues pruned to eliminate duplicates Z: 23 13.850 1.899 0.627 0.423 0.864 0.409 CB 1.198 23 residues pruned to eliminate duplicates Z: 11 20.043 1.686 1.165 0.918 1.000 0.700 CB 1.225 11 residues pruned to eliminate duplicates Z: 9 13.408 1.959 0.502 0.897 1.000 0.875 CB 1.153 9 residues pruned to eliminate duplicates Z: 8 3.625 1.515 0.385 0.209 0.857 0.571 C 1.075 8 residues pruned to eliminate duplicates Z: 10 13.463 1.762 0.495 0.880 1.000 0.889 CB 1.235 10 residues pruned to eliminate duplicates Z: 8 12.461 1.801 0.972 0.778 1.000 0.714 CB 1.037 8 residues pruned to eliminate duplicates Z: 8 8.294 1.849 0.391 0.386 0.857 0.429 N 1.605 6 residues pruned to eliminate duplicates Z: 10 8.444 1.755 0.733 0.619 0.889 0.778 CB 0.931 10 residues pruned to eliminate duplicates Z: 19 12.340 1.802 0.559 0.473 0.889 0.500 CB 1.197 19 residues pruned to eliminate duplicates Z: 31 25.643 1.824 0.939 0.607 0.967 0.667 CB 1.238 29 residues pruned to eliminate duplicates Z: 84 37.684 2.022 0.815 0.455 0.892 0.482 CB 1.323 84 residues pruned to eliminate duplicates Z: 11 17.802 1.616 1.039 0.896 1.000 0.800 CB 1.224 11 residues pruned to eliminate duplicates Z: 16 28.266 2.108 1.339 0.696 0.933 0.800 CB 1.326 16 residues pruned to eliminate duplicates Z: 7 7.602 1.497 0.731 0.593 1.000 0.833 CB 1.096 Z: 6 4.525 1.779 0.164 0.761 0.800 0.800 CB 0.969 6 residues pruned to eliminate duplicates Z: 22 21.812 1.873 0.800 0.605 0.905 0.571 CA 1.412 29 residues pruned to eliminate duplicates Z: 24 16.130 1.822 0.701 0.447 0.957 0.522 CB 1.197 24 residues pruned to eliminate duplicates Z: 21 20.685 1.886 0.822 0.585 0.900 0.700 CB 1.379 21 residues pruned to eliminate duplicates Z: 6 10.837 2.052 0.029 0.851 1.000 1.000 C 1.699 6 residues pruned to eliminate duplicates Z: 12 9.299 1.855 0.619 0.488 0.818 0.545 CB 1.155 12 residues pruned to eliminate duplicates Z: 28 21.636 2.005 0.820 0.495 0.926 0.667 CB 1.240 28 residues pruned to eliminate duplicates Z: 6 5.386 1.458 0.750 0.743 0.800 0.600 CB 0.949 Z: 7 5.939 1.522 0.526 0.870 1.000 0.333 CB 0.762 7 residues pruned to eliminate duplicates Z: 12 15.535 1.857 0.968 0.395 0.909 0.636 CB 1.575 12 residues pruned to eliminate duplicates Z: 10 10.235 1.772 0.516 0.819 0.667 0.333 N 1.444 10 residues pruned to eliminate duplicates Z: 10 18.203 1.559 1.241 0.871 1.000 0.778 CB 1.267 10 residues pruned to eliminate duplicates Z: 33 19.653 1.981 0.908 0.429 0.781 0.469 CB 1.267 33 residues pruned to eliminate duplicates Z: 21 19.618 1.980 0.605 0.644 0.900 0.750 CB 1.340 21 residues pruned to eliminate duplicates Z: 18 12.839 1.905 0.537 0.480 0.941 0.471 CB 1.153 18 residues pruned to eliminate duplicates Z: 6 3.682 1.586 0.947 0.453 0.800 0.400 CB 0.700 6 residues pruned to eliminate duplicates Z: 31 18.065 1.877 0.733 0.438 0.833 0.533 CB 1.297 31 residues pruned to eliminate duplicates Z: 8 17.114 2.040 0.708 0.911 1.000 1.000 CB 1.315 8 residues pruned to eliminate duplicates Z: 6 14.021 1.965 0.540 0.825 1.000 0.800 C 1.563 6 residues pruned to eliminate duplicates Z: 15 13.476 2.019 0.803 0.470 0.857 0.429 CB 1.190 14 residues pruned to eliminate duplicates Z: 8 16.733 2.036 0.931 0.682 0.857 0.857 CB 1.588 8 residues pruned to eliminate duplicates Z: 9 11.927 1.788 0.284 0.864 1.000 0.500 CA 1.347 9 residues pruned to eliminate duplicates Z: 16 9.018 1.650 0.482 0.529 0.933 0.667 CB 0.991 16 residues pruned to eliminate duplicates Z: 11 20.004 1.820 0.952 0.917 1.000 1.000 CA 1.257 11 residues pruned to eliminate duplicates Z: 25 27.846 2.116 1.057 0.482 0.958 0.583 CB 1.388 25 residues pruned to eliminate duplicates Z: 11 12.868 2.055 0.530 0.554 0.900 0.600 CB 1.363 11 residues pruned to eliminate duplicates Z: 10 8.925 1.797 0.467 0.471 0.889 0.778 CA 1.307 10 residues pruned to eliminate duplicates Z: 15 8.240 1.690 0.890 0.347 0.786 0.571 CB 1.036 15 residues pruned to eliminate duplicates Z: 12 10.817 1.742 0.532 0.528 1.000 0.545 CB 1.189 12 residues pruned to eliminate duplicates Z: 12 17.088 1.757 0.766 0.894 1.000 0.909 CB 1.191 12 residues pruned to eliminate duplicates Z: 19 22.616 2.080 0.737 0.601 0.944 0.611 CB 1.418 20 residues pruned to eliminate duplicates Z: 20 19.113 1.822 0.698 0.641 0.895 0.579 CB 1.388 20 residues pruned to eliminate duplicates Z: 23 25.590 2.080 0.940 0.551 0.864 0.682 CB 1.489 23 residues pruned to eliminate duplicates Z: 10 13.683 2.036 0.539 0.508 1.000 0.778 CA 1.444 10 residues pruned to eliminate duplicates Z: 30 22.044 1.995 0.854 0.428 0.931 0.586 CB 1.281 30 residues pruned to eliminate duplicates Z: 25 10.753 1.869 0.510 0.390 0.875 0.500 CB 0.999 25 residues pruned to eliminate duplicates Z: 7 15.356 1.967 0.834 0.858 0.833 0.667 CB 1.535 7 residues pruned to eliminate duplicates Z: 39 27.857 2.118 0.877 0.485 0.868 0.526 CB 1.330 39 residues pruned to eliminate duplicates Z: 6 8.103 1.491 0.922 0.749 1.000 0.200 C 1.012 6 residues pruned to eliminate duplicates Z: 9 6.328 1.829 0.398 0.410 0.875 0.500 CB 1.099 9 residues pruned to eliminate duplicates Z: 33 19.764 1.948 0.872 0.446 0.844 0.562 CB 1.200 33 residues pruned to eliminate duplicates Z: 38 22.702 2.109 0.663 0.462 0.892 0.432 CB 1.240 38 residues pruned to eliminate duplicates Z: 9 8.380 1.514 0.653 0.661 0.875 0.750 CB 1.166 9 residues pruned to eliminate duplicates Z: 18 15.580 1.840 0.857 0.479 0.882 0.529 CB 1.280 18 residues pruned to eliminate duplicates Z: 15 12.978 1.917 0.719 0.535 0.929 0.500 CB 1.095 15 residues pruned to eliminate duplicates Z: 7 11.912 1.989 0.841 0.503 0.833 0.667 C 1.589 7 residues pruned to eliminate duplicates Z: 8 5.448 1.596 -0.100 0.876 1.000 0.286 CB 1.042 8 residues pruned to eliminate duplicates Z: 27 20.421 2.005 0.758 0.456 0.923 0.462 CB 1.287 27 residues pruned to eliminate duplicates Z: 20 22.134 2.003 0.693 0.570 0.947 0.632 CA 1.477 20 residues pruned to eliminate duplicates Z: 29 12.385 1.741 0.508 0.467 0.893 0.571 CB 1.032 29 residues pruned to eliminate duplicates Z: 11 16.694 1.620 1.169 0.895 1.000 0.800 CB 1.076 11 residues pruned to eliminate duplicates Z: 9 8.542 1.731 0.689 0.425 0.875 0.750 C 1.276 9 residues pruned to eliminate duplicates Z: 8 6.568 1.646 0.288 0.867 1.000 0.714 CB 0.856 8 residues pruned to eliminate duplicates Z: 21 23.011 2.121 0.840 0.465 0.900 0.550 CB 1.519 21 residues pruned to eliminate duplicates Z: 17 16.734 1.892 0.656 0.578 0.938 0.688 CB 1.320 17 residues pruned to eliminate duplicates Z: 12 15.260 1.917 0.612 0.678 1.000 0.636 CA 1.264 11 residues pruned to eliminate duplicates Z: 22 24.491 1.964 0.996 0.530 0.952 0.619 CB 1.389 22 residues pruned to eliminate duplicates Z: 10 16.177 1.604 1.067 0.862 1.000 0.889 CB 1.194 10 residues pruned to eliminate duplicates Z: 30 18.110 1.953 0.547 0.473 0.931 0.379 CB 1.229 30 residues pruned to eliminate duplicates Z: 8 14.310 1.837 0.614 0.846 1.000 0.714 CA 1.356 8 residues pruned to eliminate duplicates Z: 15 8.729 1.823 0.724 0.229 0.786 0.571 CB 1.295 15 residues pruned to eliminate duplicates Z: 9 13.657 1.784 0.642 0.848 1.000 0.750 CB 1.223 9 residues pruned to eliminate duplicates Z: 20 20.352 1.829 0.681 0.550 1.000 0.579 CB 1.446 20 residues pruned to eliminate duplicates Z: 19 18.790 1.949 0.648 0.617 0.944 0.389 CB 1.306 19 residues pruned to eliminate duplicates Z: 37 19.759 1.948 0.575 0.407 0.889 0.444 CB 1.332 37 residues pruned to eliminate duplicates Z: 6 3.489 1.598 0.212 0.689 1.000 0.400 CB 0.677 6 residues pruned to eliminate duplicates Z: 10 19.021 1.813 0.920 0.841 1.000 0.778 CA 1.358 10 residues pruned to eliminate duplicates Z: 6 6.349 1.532 0.287 0.787 1.000 0.600 CB 1.119 6 residues pruned to eliminate duplicates Z: 11 9.069 1.797 0.623 0.499 0.800 0.500 CB 1.230 11 residues pruned to eliminate duplicates Z: 6 10.334 1.959 0.559 0.692 1.000 0.800 CB 1.269 6 residues pruned to eliminate duplicates Z: 20 16.160 1.949 0.854 0.503 0.842 0.526 CB 1.214 20 residues pruned to eliminate duplicates Z: 13 19.540 1.806 1.046 0.738 1.000 0.500 CB 1.233 13 residues pruned to eliminate duplicates Z: 8 6.864 1.633 0.714 0.331 0.857 0.429 C 1.301 8 residues pruned to eliminate duplicates 6 1.881 1.338 0.437 0.334 0.600 0.400 CB 0.874 ? 250 residues left after pruning, divided into chains as follows: A: 39 B: 67 C: 128 D: 16 CC for partial structure against native data = 53.74 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.341, Connect. = 0.701 for dens.mod. cycle 1 = 0.300, Contrast = 0.405, Connect. = 0.741 for dens.mod. cycle 2 = 0.300, Contrast = 0.485, Connect. = 0.771 for dens.mod. cycle 3 = 0.300, Contrast = 0.492, Connect. = 0.773 for dens.mod. cycle 4 = 0.300, Contrast = 0.505, Connect. = 0.775 for dens.mod. cycle 5 = 0.300, Contrast = 0.509, Connect. = 0.776 for dens.mod. cycle 6 = 0.300, Contrast = 0.517, Connect. = 0.777 for dens.mod. cycle 7 = 0.300, Contrast = 0.522, Connect. = 0.778 for dens.mod. cycle 8 = 0.300, Contrast = 0.527, Connect. = 0.778 for dens.mod. cycle 9 = 0.300, Contrast = 0.531, Connect. = 0.778 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1821 peaks > 0.5 sigma used to seed fragment search Space for about 269 unique residues taking solvent into account 355 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 10 16.061 2.162 0.910 0.407 0.778 0.556 CB 1.838 B: 18 9.660 1.738 0.657 0.301 0.824 0.529 CB 1.234 18 residues pruned to eliminate duplicates C: 9 18.614 2.066 0.437 0.901 1.000 1.000 CA 1.582 D: 57 33.393 2.188 0.614 0.492 0.893 0.607 CB 1.427 9 residues pruned to eliminate duplicates E: 11 18.977 1.777 0.855 0.909 1.000 0.800 CB 1.293 F: 11 22.665 1.839 1.005 0.898 1.000 0.800 CB 1.391 11 residues pruned to eliminate duplicates G: 31 26.832 2.199 0.740 0.532 0.900 0.700 CB 1.378 29 residues pruned to eliminate duplicates H: 32 27.481 2.137 0.655 0.543 0.871 0.484 CB 1.536 10 residues pruned to eliminate duplicates I: 23 22.263 2.150 0.853 0.487 0.909 0.591 CB 1.328 J: 57 28.892 2.174 0.597 0.483 0.875 0.643 CB 1.292 57 residues pruned to eliminate duplicates K: 10 12.666 1.847 0.439 0.838 0.889 0.778 CA 1.336 10 residues pruned to eliminate duplicates L: 30 25.420 2.050 0.862 0.398 0.897 0.586 CB 1.537 23 residues pruned to eliminate duplicates M: 15 22.604 2.181 0.865 0.562 0.857 0.643 CB 1.631 15 residues pruned to eliminate duplicates N: 25 19.936 2.140 0.482 0.486 0.958 0.667 CB 1.359 27 residues pruned to eliminate duplicates O: 15 15.313 2.017 1.026 0.391 0.786 0.571 CB 1.430 15 residues pruned to eliminate duplicates P: 29 27.602 2.088 0.882 0.477 0.964 0.750 CB 1.409 28 residues pruned to eliminate duplicates Q: 57 32.290 2.135 0.764 0.426 0.839 0.536 CB 1.473 26 residues pruned to eliminate duplicates R: 6 10.936 2.045 0.480 0.850 0.800 0.400 CA 1.496 S: 23 19.175 2.095 0.647 0.488 0.818 0.591 CB 1.465 23 residues pruned to eliminate duplicates T: 11 20.086 1.815 0.856 0.906 1.000 0.800 CA 1.341 U: 51 35.543 2.170 0.872 0.479 0.900 0.480 CB 1.405 34 residues pruned to eliminate duplicates V: 42 25.565 2.138 0.540 0.518 0.878 0.683 CB 1.357 42 residues pruned to eliminate duplicates W: 7 16.032 2.215 0.224 0.870 1.000 1.000 CA 1.763 7 residues pruned to eliminate duplicates X: 25 15.644 2.059 0.722 0.405 0.833 0.458 CB 1.194 25 residues pruned to eliminate duplicates Y: 44 29.310 2.169 0.658 0.480 0.930 0.465 CB 1.364 44 residues pruned to eliminate duplicates Z: 29 22.882 2.079 0.663 0.452 0.929 0.571 CB 1.415 29 residues pruned to eliminate duplicates Z: 8 10.643 2.074 0.145 0.876 0.857 0.857 CB 1.437 8 residues pruned to eliminate duplicates Z: 42 22.879 2.059 0.511 0.458 0.902 0.463 CB 1.329 42 residues pruned to eliminate duplicates Z: 49 31.188 2.159 0.656 0.459 0.917 0.438 CB 1.432 49 residues pruned to eliminate duplicates Z: 11 22.629 1.812 1.058 0.934 1.000 1.000 CB 1.339 11 residues pruned to eliminate duplicates Z: 21 13.393 1.987 0.518 0.460 0.900 0.550 CB 1.150 21 residues pruned to eliminate duplicates Z: 12 9.796 1.902 0.336 0.486 1.000 0.636 CB 1.179 12 residues pruned to eliminate duplicates Z: 40 23.997 2.147 0.665 0.468 0.821 0.590 CB 1.354 43 residues pruned to eliminate duplicates Z: 41 23.543 2.022 0.636 0.431 0.875 0.575 CB 1.382 41 residues pruned to eliminate duplicates Z: 8 14.780 2.117 0.365 0.887 0.857 0.714 CB 1.626 8 residues pruned to eliminate duplicates Z: 8 13.187 2.118 0.202 0.901 1.000 0.857 CB 1.398 8 residues pruned to eliminate duplicates Z: 8 9.310 2.147 0.707 0.341 0.714 0.571 CA 1.598 8 residues pruned to eliminate duplicates Z: 22 24.886 2.088 0.886 0.483 0.952 0.571 CB 1.473 22 residues pruned to eliminate duplicates Z: 35 24.627 2.065 0.654 0.454 0.912 0.471 CB 1.422 33 residues pruned to eliminate duplicates Z: 60 31.820 2.136 0.562 0.438 0.898 0.475 CB 1.474 59 residues pruned to eliminate duplicates Z: 63 32.170 2.093 0.566 0.486 0.919 0.532 CB 1.374 63 residues pruned to eliminate duplicates Z: 78 37.975 2.117 0.741 0.514 0.870 0.468 CB 1.331 62 residues pruned to eliminate duplicates Z: 10 18.653 1.832 0.952 0.891 1.000 1.000 CB 1.250 10 residues pruned to eliminate duplicates Z: 20 21.051 2.082 0.622 0.610 0.947 0.526 CB 1.360 Z: 8 15.723 2.144 0.478 0.885 0.857 0.714 CB 1.580 8 residues pruned to eliminate duplicates Z: 31 24.395 2.094 0.886 0.443 0.867 0.600 CB 1.380 31 residues pruned to eliminate duplicates Z: 36 21.993 2.113 0.533 0.465 0.829 0.514 CB 1.435 36 residues pruned to eliminate duplicates Z: 22 20.250 2.013 0.739 0.490 0.952 0.714 CB 1.339 22 residues pruned to eliminate duplicates Z: 24 24.596 2.087 0.903 0.474 0.957 0.739 CB 1.387 24 residues pruned to eliminate duplicates Z: 11 9.730 1.911 0.810 0.418 0.900 0.600 CB 1.077 11 residues pruned to eliminate duplicates Z: 19 28.119 2.282 0.884 0.584 0.944 0.778 CB 1.506 19 residues pruned to eliminate duplicates Z: 9 13.271 1.875 0.470 0.840 0.875 0.625 C 1.453 9 residues pruned to eliminate duplicates Z: 8 14.428 2.117 0.289 0.879 1.000 0.857 CB 1.449 8 residues pruned to eliminate duplicates Z: 9 15.419 1.996 0.457 0.858 0.875 0.500 CA 1.578 9 residues pruned to eliminate duplicates Z: 21 26.652 2.310 0.786 0.586 0.800 0.700 CB 1.662 21 residues pruned to eliminate duplicates Z: 74 42.993 2.102 0.692 0.532 0.945 0.630 CB 1.451 67 residues pruned to eliminate duplicates Z: 19 16.130 1.978 0.873 0.344 0.833 0.444 CB 1.460 19 residues pruned to eliminate duplicates Z: 9 18.166 2.069 0.443 0.893 1.000 0.875 CB 1.545 9 residues pruned to eliminate duplicates Z: 7 11.316 1.844 0.587 0.785 0.833 0.667 CA 1.474 7 residues pruned to eliminate duplicates Z: 8 17.678 2.233 0.249 0.914 1.000 1.000 CB 1.694 8 residues pruned to eliminate duplicates Z: 19 21.646 2.044 0.674 0.612 0.833 0.667 CB 1.609 Z: 60 34.263 2.159 0.590 0.458 0.932 0.458 CB 1.456 60 residues pruned to eliminate duplicates Z: 10 17.311 1.937 0.585 0.896 1.000 0.889 CB 1.346 10 residues pruned to eliminate duplicates Z: 109 51.442 2.149 0.752 0.529 0.917 0.574 CB 1.393 109 residues pruned to eliminate duplicates Z: 17 23.147 2.022 0.780 0.536 0.938 0.438 CB 1.656 17 residues pruned to eliminate duplicates Z: 33 20.257 2.084 0.510 0.467 0.875 0.531 CB 1.344 33 residues pruned to eliminate duplicates Z: 9 15.934 1.796 0.587 0.907 1.000 0.875 CA 1.405 9 residues pruned to eliminate duplicates Z: 20 26.399 2.203 0.731 0.604 0.895 0.789 CB 1.607 20 residues pruned to eliminate duplicates Z: 8 10.687 2.060 -0.089 0.909 1.000 0.857 CB 1.528 8 residues pruned to eliminate duplicates Z: 28 11.022 1.848 0.361 0.399 0.815 0.481 CB 1.151 28 residues pruned to eliminate duplicates Z: 8 9.065 1.812 0.525 0.775 0.714 0.571 CA 1.361 8 residues pruned to eliminate duplicates Z: 44 25.473 2.126 0.651 0.448 0.884 0.535 CB 1.320 44 residues pruned to eliminate duplicates Z: 23 14.290 1.814 0.593 0.427 0.864 0.409 CB 1.317 23 residues pruned to eliminate duplicates Z: 45 24.615 2.078 0.502 0.420 0.909 0.477 CB 1.422 45 residues pruned to eliminate duplicates Z: 29 24.847 2.037 0.866 0.517 0.929 0.536 CB 1.308 29 residues pruned to eliminate duplicates Z: 12 13.940 1.685 0.591 0.867 0.909 0.818 CB 1.262 12 residues pruned to eliminate duplicates Z: 10 16.473 1.879 0.665 0.902 0.889 0.889 CA 1.409 10 residues pruned to eliminate duplicates Z: 28 16.042 1.986 0.722 0.369 0.852 0.556 CB 1.218 28 residues pruned to eliminate duplicates Z: 8 19.102 2.218 0.468 0.889 1.000 1.000 CB 1.597 8 residues pruned to eliminate duplicates Z: 9 10.820 1.967 0.337 0.835 0.750 0.625 CA 1.454 9 residues pruned to eliminate duplicates Z: 7 10.426 1.766 0.653 0.808 1.000 0.667 CA 1.114 7 residues pruned to eliminate duplicates Z: 9 19.299 2.101 0.527 0.915 1.000 1.000 CB 1.504 9 residues pruned to eliminate duplicates Z: 10 19.149 1.922 0.661 0.878 1.000 0.889 CB 1.451 10 residues pruned to eliminate duplicates Z: 78 41.527 2.114 0.717 0.507 0.922 0.571 CB 1.404 78 residues pruned to eliminate duplicates Z: 9 15.904 1.871 0.465 0.860 1.000 0.625 CB 1.508 9 residues pruned to eliminate duplicates Z: 10 18.874 1.897 0.743 0.894 1.000 0.778 CB 1.364 10 residues pruned to eliminate duplicates Z: 8 6.250 1.522 0.841 0.498 0.714 0.571 CB 1.182 8 residues pruned to eliminate duplicates Z: 52 32.204 2.054 0.746 0.494 0.902 0.431 CB 1.403 52 residues pruned to eliminate duplicates Z: 11 14.149 1.793 0.467 0.915 1.000 0.900 CB 1.203 11 residues pruned to eliminate duplicates Z: 20 21.366 2.129 0.626 0.607 0.895 0.579 CB 1.430 21 residues pruned to eliminate duplicates Z: 61 32.121 2.136 0.670 0.414 0.900 0.450 CB 1.414 61 residues pruned to eliminate duplicates Z: 25 26.036 1.998 0.857 0.696 0.958 0.833 CB 1.250 25 residues pruned to eliminate duplicates Z: 11 15.651 1.792 0.538 0.885 1.000 0.700 CB 1.297 11 residues pruned to eliminate duplicates Z: 20 20.826 2.075 0.550 0.618 0.947 0.526 CB 1.402 20 residues pruned to eliminate duplicates Z: 32 22.577 1.969 0.613 0.590 0.935 0.613 CB 1.252 32 residues pruned to eliminate duplicates Z: 10 12.775 2.058 0.903 0.478 0.778 0.667 CB 1.430 10 residues pruned to eliminate duplicates Z: 8 22.005 2.127 0.679 0.904 1.000 0.571 CB 1.658 8 residues pruned to eliminate duplicates Z: 18 15.034 2.033 0.450 0.525 0.941 0.588 CB 1.283 18 residues pruned to eliminate duplicates Z: 11 13.440 1.672 0.386 0.880 1.000 0.600 CB 1.329 11 residues pruned to eliminate duplicates Z: 69 34.209 2.151 0.636 0.448 0.912 0.515 CB 1.363 69 residues pruned to eliminate duplicates Z: 20 19.359 2.012 0.603 0.598 0.947 0.474 CB 1.324 20 residues pruned to eliminate duplicates Z: 81 43.945 2.196 0.734 0.509 0.913 0.588 CB 1.402 83 residues pruned to eliminate duplicates Z: 59 32.873 2.083 0.776 0.439 0.845 0.483 CB 1.471 59 residues pruned to eliminate duplicates Z: 49 35.732 2.166 0.859 0.480 0.917 0.562 CB 1.426 49 residues pruned to eliminate duplicates Z: 6 6.290 1.770 0.568 0.870 0.600 0.400 CA 1.233 6 residues pruned to eliminate duplicates Z: 12 15.776 1.930 0.921 0.516 0.909 0.545 CA 1.389 12 residues pruned to eliminate duplicates Z: 9 20.122 2.088 0.602 0.895 1.000 0.750 CB 1.524 9 residues pruned to eliminate duplicates 6 1.730 1.663 0.346 0.316 0.400 0.400 CB 1.059 ? Z: 70 29.005 2.107 0.607 0.472 0.826 0.507 CB 1.284 70 residues pruned to eliminate duplicates Z: 10 9.663 1.828 0.950 0.390 0.889 0.444 CB 1.143 10 residues pruned to eliminate duplicates Z: 12 11.730 1.970 0.537 0.519 1.000 0.727 CB 1.146 12 residues pruned to eliminate duplicates Z: 8 14.283 1.993 0.509 0.849 0.857 0.429 CA 1.552 8 residues pruned to eliminate duplicates Z: 6 10.398 2.071 0.497 0.787 0.800 0.600 CB 1.457 6 residues pruned to eliminate duplicates Z: 20 20.785 2.055 0.721 0.545 0.842 0.526 CB 1.532 20 residues pruned to eliminate duplicates Z: 12 14.317 2.006 0.544 0.650 0.909 0.727 CB 1.333 12 residues pruned to eliminate duplicates Z: 8 7.096 2.033 0.693 0.517 0.714 0.571 CB 1.073 8 residues pruned to eliminate duplicates Z: 27 16.164 2.018 0.444 0.480 0.923 0.538 CB 1.202 27 residues pruned to eliminate duplicates Z: 73 39.383 2.140 0.825 0.509 0.861 0.528 CB 1.368 73 residues pruned to eliminate duplicates Z: 27 27.081 2.052 0.697 0.568 0.885 0.692 CB 1.614 30 residues pruned to eliminate duplicates Z: 10 22.525 1.996 0.920 0.893 1.000 0.778 CB 1.407 10 residues pruned to eliminate duplicates Z: 9 22.987 2.057 0.895 0.889 1.000 0.875 CA 1.502 9 residues pruned to eliminate duplicates Z: 7 12.743 1.760 0.622 0.846 1.000 0.667 CB 1.354 7 residues pruned to eliminate duplicates Z: 18 18.610 2.111 0.651 0.602 0.882 0.647 CB 1.332 18 residues pruned to eliminate duplicates Z: 6 7.552 1.768 0.633 0.819 0.800 0.600 CA 1.109 6 residues pruned to eliminate duplicates Z: 29 37.418 2.301 0.911 0.589 0.929 0.714 CB 1.590 27 residues pruned to eliminate duplicates Z: 13 13.194 1.927 0.623 0.577 0.917 0.667 CA 1.234 13 residues pruned to eliminate duplicates Z: 37 26.110 2.044 0.666 0.522 0.917 0.556 CB 1.364 37 residues pruned to eliminate duplicates Z: 7 13.189 2.027 0.435 0.830 1.000 0.500 CA 1.392 7 residues pruned to eliminate duplicates Z: 9 10.133 1.907 0.487 0.591 0.750 0.500 CB 1.543 9 residues pruned to eliminate duplicates Z: 19 21.413 2.018 0.663 0.585 0.889 0.556 CB 1.559 19 residues pruned to eliminate duplicates Z: 7 6.842 1.751 0.682 0.825 1.000 0.833 CA 0.716 7 residues pruned to eliminate duplicates Z: 25 26.527 2.099 0.815 0.580 0.958 0.750 CB 1.374 25 residues pruned to eliminate duplicates Z: 9 7.287 2.004 0.798 0.508 0.750 0.750 CB 0.946 9 residues pruned to eliminate duplicates Z: 45 36.152 2.179 0.722 0.544 0.932 0.614 CB 1.493 47 residues pruned to eliminate duplicates Z: 11 18.077 2.006 0.726 0.654 1.000 0.900 CA 1.431 11 residues pruned to eliminate duplicates Z: 7 6.913 1.752 0.309 0.631 0.833 0.667 CB 1.305 7 residues pruned to eliminate duplicates Z: 10 22.211 2.275 1.201 0.530 0.889 0.778 CB 1.615 10 residues pruned to eliminate duplicates Z: 27 19.592 2.081 0.578 0.434 0.885 0.385 CB 1.417 27 residues pruned to eliminate duplicates Z: 20 15.332 2.069 0.641 0.509 0.895 0.526 CB 1.147 20 residues pruned to eliminate duplicates Z: 13 13.948 2.033 0.486 0.520 1.000 0.583 CB 1.306 13 residues pruned to eliminate duplicates Z: 8 24.714 2.246 0.925 0.925 1.000 1.000 CB 1.516 8 residues pruned to eliminate duplicates Z: 7 7.476 1.723 0.456 0.861 0.833 0.500 CA 1.072 7 residues pruned to eliminate duplicates Z: 9 10.785 1.918 0.341 0.621 0.875 0.500 CB 1.512 9 residues pruned to eliminate duplicates Z: 9 15.010 1.876 0.348 0.900 1.000 0.625 C 1.499 9 residues pruned to eliminate duplicates Z: 29 23.264 1.915 0.653 0.647 0.964 0.750 CB 1.256 29 residues pruned to eliminate duplicates Z: 19 21.370 2.131 0.615 0.629 0.944 0.667 CB 1.372 19 residues pruned to eliminate duplicates Z: 11 11.093 1.659 0.794 0.632 0.800 0.700 CA 1.302 11 residues pruned to eliminate duplicates Z: 9 20.327 2.000 0.686 0.887 1.000 0.625 CA 1.537 9 residues pruned to eliminate duplicates Z: 22 18.655 2.020 0.649 0.592 0.905 0.571 CB 1.237 22 residues pruned to eliminate duplicates Z: 28 24.972 2.165 0.722 0.464 0.889 0.481 CB 1.505 28 residues pruned to eliminate duplicates Z: 7 11.465 2.055 0.311 0.798 1.000 0.333 CB 1.338 7 residues pruned to eliminate duplicates Z: 38 25.485 2.071 0.608 0.564 0.919 0.622 CB 1.286 38 residues pruned to eliminate duplicates Z: 8 7.040 1.754 0.304 0.884 1.000 0.571 CB 0.841 8 residues pruned to eliminate duplicates Z: 28 21.172 2.046 0.665 0.454 0.852 0.481 CB 1.472 28 residues pruned to eliminate duplicates Z: 8 12.796 1.925 0.635 0.739 1.000 0.714 CB 1.240 8 residues pruned to eliminate duplicates Z: 8 10.865 1.874 0.702 0.901 1.000 0.857 CB 0.919 8 residues pruned to eliminate duplicates Z: 19 21.495 2.006 0.974 0.510 0.889 0.500 CA 1.425 17 residues pruned to eliminate duplicates Z: 9 8.719 1.885 0.072 0.838 0.750 0.750 CA 1.521 9 residues pruned to eliminate duplicates Z: 7 5.964 1.845 0.917 0.852 0.667 0.667 CB 0.763 7 residues pruned to eliminate duplicates Z: 34 29.810 2.130 0.801 0.535 0.879 0.636 CB 1.488 34 residues pruned to eliminate duplicates Z: 48 31.075 2.122 0.697 0.488 0.872 0.660 CB 1.460 48 residues pruned to eliminate duplicates Z: 54 31.459 2.162 0.752 0.454 0.868 0.453 CB 1.378 54 residues pruned to eliminate duplicates Z: 25 24.222 2.178 0.807 0.501 0.875 0.583 CB 1.434 25 residues pruned to eliminate duplicates Z: 7 9.098 1.909 0.469 0.898 1.000 0.833 CB 0.948 7 residues pruned to eliminate duplicates Z: 25 23.691 2.056 0.863 0.528 0.917 0.625 CB 1.339 25 residues pruned to eliminate duplicates Z: 7 6.355 1.713 0.044 0.884 1.000 0.667 CA 1.048 7 residues pruned to eliminate duplicates Z: 28 22.066 2.053 0.730 0.467 0.889 0.704 CB 1.391 28 residues pruned to eliminate duplicates Z: 34 21.848 2.121 0.684 0.459 0.879 0.424 CB 1.265 34 residues pruned to eliminate duplicates Z: 25 17.946 1.947 0.677 0.481 0.917 0.542 CB 1.248 25 residues pruned to eliminate duplicates Z: 44 32.858 2.137 0.688 0.487 0.953 0.535 CB 1.477 44 residues pruned to eliminate duplicates Z: 11 19.963 1.792 0.709 0.939 1.000 0.700 CB 1.432 11 residues pruned to eliminate duplicates Z: 46 25.669 2.079 0.683 0.408 0.867 0.422 CB 1.389 46 residues pruned to eliminate duplicates Z: 27 23.835 2.115 0.724 0.486 0.885 0.577 CB 1.470 27 residues pruned to eliminate duplicates Z: 7 7.259 1.771 0.473 0.527 0.833 0.833 CA 1.327 7 residues pruned to eliminate duplicates Z: 6 5.837 1.636 0.530 0.686 0.800 0.800 CB 1.099 Z: 6 9.602 1.962 0.279 0.843 0.800 0.800 CA 1.593 6 residues pruned to eliminate duplicates Z: 7 10.227 1.930 0.662 0.897 1.000 0.833 CB 0.932 7 residues pruned to eliminate duplicates Z: 11 21.451 1.865 0.875 0.919 1.000 0.700 CB 1.367 11 residues pruned to eliminate duplicates Z: 6 10.247 1.916 0.160 0.859 1.000 0.800 CB 1.517 6 residues pruned to eliminate duplicates Z: 6 12.538 2.089 0.259 0.893 1.000 1.000 CB 1.530 6 residues pruned to eliminate duplicates Z: 34 22.824 2.104 0.604 0.445 0.970 0.545 CB 1.285 34 residues pruned to eliminate duplicates Z: 29 20.805 2.117 0.651 0.476 0.821 0.429 CB 1.403 29 residues pruned to eliminate duplicates Z: 10 26.611 1.950 1.056 0.916 1.000 0.889 CB 1.562 10 residues pruned to eliminate duplicates Z: 7 8.996 1.790 0.396 0.846 1.000 0.667 CA 1.092 7 residues pruned to eliminate duplicates Z: 15 13.359 2.064 0.514 0.426 0.786 0.286 CB 1.570 15 residues pruned to eliminate duplicates Z: 19 12.712 1.845 0.515 0.403 0.889 0.444 CB 1.335 19 residues pruned to eliminate duplicates Z: 6 11.695 1.874 0.550 0.847 1.000 0.400 CA 1.337 6 residues pruned to eliminate duplicates Z: 12 21.110 1.737 1.087 0.936 1.000 0.818 CB 1.223 12 residues pruned to eliminate duplicates Z: 11 17.310 1.827 0.681 0.906 1.000 0.800 CB 1.268 11 residues pruned to eliminate duplicates Z: 18 14.882 1.885 0.578 0.499 0.882 0.647 CB 1.376 18 residues pruned to eliminate duplicates Z: 8 16.676 2.114 0.502 0.819 1.000 0.714 CB 1.504 8 residues pruned to eliminate duplicates Z: 7 10.764 1.941 0.593 0.793 1.000 0.333 CA 1.100 7 residues pruned to eliminate duplicates Z: 20 24.059 2.067 0.633 0.601 0.947 0.579 CA 1.567 28 residues pruned to eliminate duplicates Z: 45 33.030 2.167 0.691 0.486 0.977 0.545 CB 1.410 45 residues pruned to eliminate duplicates Z: 8 5.878 1.528 0.087 0.837 1.000 0.571 CA 1.000 8 residues pruned to eliminate duplicates Z: 22 15.756 1.929 0.584 0.499 0.810 0.571 CB 1.391 22 residues pruned to eliminate duplicates Z: 24 25.492 2.027 0.799 0.520 1.000 0.696 CB 1.430 24 residues pruned to eliminate duplicates Z: 30 21.104 1.971 0.816 0.410 0.828 0.552 CB 1.454 30 residues pruned to eliminate duplicates Z: 15 21.580 2.015 0.627 0.594 1.000 0.643 CA 1.608 15 residues pruned to eliminate duplicates Z: 9 15.204 1.863 0.370 0.853 1.000 0.500 C 1.557 9 residues pruned to eliminate duplicates Z: 20 23.939 1.989 0.801 0.573 0.895 0.632 CB 1.597 20 residues pruned to eliminate duplicates Z: 6 3.564 1.266 0.097 0.873 1.000 1.000 N 0.836 6 residues pruned to eliminate duplicates Z: 11 20.843 1.800 1.013 0.925 0.900 0.900 CB 1.418 11 residues pruned to eliminate duplicates Z: 7 6.721 1.868 0.658 0.874 0.833 0.667 CB 0.774 7 residues pruned to eliminate duplicates Z: 22 16.169 1.849 0.747 0.422 0.857 0.571 CB 1.381 22 residues pruned to eliminate duplicates Z: 84 39.781 2.180 0.596 0.494 0.880 0.590 CB 1.436 84 residues pruned to eliminate duplicates Z: 7 8.617 1.649 0.655 0.885 1.000 0.667 CB 0.930 7 residues pruned to eliminate duplicates Z: 11 18.652 2.148 1.140 0.488 0.900 0.800 CB 1.443 11 residues pruned to eliminate duplicates Z: 9 15.901 1.972 0.568 0.849 0.875 0.625 CA 1.541 9 residues pruned to eliminate duplicates Z: 28 20.141 2.060 0.719 0.406 0.852 0.481 CB 1.418 28 residues pruned to eliminate duplicates Z: 10 20.251 1.800 1.021 0.907 1.000 1.000 CA 1.319 10 residues pruned to eliminate duplicates Z: 35 27.069 2.141 0.868 0.434 0.882 0.588 CB 1.409 35 residues pruned to eliminate duplicates Z: 51 31.049 2.144 0.665 0.509 0.860 0.620 CB 1.417 51 residues pruned to eliminate duplicates Z: 10 12.306 1.885 0.380 0.896 1.000 0.889 CB 1.129 10 residues pruned to eliminate duplicates Z: 23 12.165 1.942 0.473 0.405 0.818 0.409 CB 1.224 23 residues pruned to eliminate duplicates Z: 6 4.485 1.547 0.187 0.539 1.000 0.600 CB 1.051 6 residues pruned to eliminate duplicates Z: 29 22.127 2.033 0.723 0.517 0.893 0.679 CB 1.314 29 residues pruned to eliminate duplicates Z: 9 4.725 1.428 0.658 0.639 0.875 0.750 CB 0.708 9 residues pruned to eliminate duplicates Z: 33 24.957 2.131 0.562 0.434 0.938 0.406 CB 1.513 33 residues pruned to eliminate duplicates Z: 55 28.280 2.113 0.825 0.422 0.870 0.574 CB 1.244 55 residues pruned to eliminate duplicates Z: 11 17.698 1.809 0.941 0.903 1.000 1.000 CA 1.136 11 residues pruned to eliminate duplicates Z: 19 20.735 2.020 0.787 0.526 0.889 0.556 CA 1.485 19 residues pruned to eliminate duplicates Z: 16 14.796 2.011 1.198 0.416 0.867 0.733 CB 1.089 16 residues pruned to eliminate duplicates Z: 11 12.565 1.888 0.561 0.642 1.000 0.600 CB 1.181 11 residues pruned to eliminate duplicates Z: 29 24.410 2.018 0.850 0.459 0.857 0.571 CB 1.503 29 residues pruned to eliminate duplicates Z: 34 21.042 1.937 0.625 0.448 0.909 0.545 CB 1.350 34 residues pruned to eliminate duplicates Z: 15 15.007 2.003 0.937 0.574 0.714 0.643 CB 1.347 15 residues pruned to eliminate duplicates Z: 40 27.402 2.134 0.750 0.483 0.846 0.590 CB 1.412 40 residues pruned to eliminate duplicates Z: 27 27.127 2.072 0.693 0.597 0.923 0.654 CB 1.498 27 residues pruned to eliminate duplicates Z: 18 8.396 1.807 0.611 0.490 0.765 0.647 CB 0.924 18 residues pruned to eliminate duplicates Z: 10 8.659 1.795 0.469 0.390 0.889 0.667 CB 1.383 10 residues pruned to eliminate duplicates Z: 21 21.048 1.992 0.667 0.505 0.900 0.700 CB 1.567 21 residues pruned to eliminate duplicates Z: 10 17.350 1.882 0.851 0.890 1.000 0.778 CA 1.195 10 residues pruned to eliminate duplicates Z: 27 22.449 2.081 0.665 0.432 0.923 0.615 CB 1.477 27 residues pruned to eliminate duplicates Z: 23 22.281 2.024 0.767 0.492 0.955 0.727 CB 1.403 23 residues pruned to eliminate duplicates Z: 11 18.378 1.732 0.881 0.924 1.000 1.000 CB 1.253 11 residues pruned to eliminate duplicates Z: 8 5.524 2.088 0.782 0.465 0.714 0.714 CB 0.814 8 residues pruned to eliminate duplicates Z: 14 21.363 1.901 0.816 0.821 0.923 0.692 CB 1.407 14 residues pruned to eliminate duplicates Z: 16 9.497 1.812 0.275 0.483 0.867 0.600 CB 1.245 16 residues pruned to eliminate duplicates Z: 19 22.426 2.173 0.544 0.583 1.000 0.556 CB 1.454 19 residues pruned to eliminate duplicates Z: 7 6.844 1.694 0.523 0.511 0.833 0.500 CA 1.285 7 residues pruned to eliminate duplicates Z: 17 18.861 2.067 0.680 0.521 0.938 0.688 CB 1.419 17 residues pruned to eliminate duplicates Z: 32 22.431 2.063 0.706 0.428 0.871 0.581 CB 1.416 32 residues pruned to eliminate duplicates Z: 6 5.247 1.851 -0.053 0.800 0.800 0.600 CB 1.288 6 residues pruned to eliminate duplicates Z: 23 25.825 2.060 0.872 0.515 0.955 0.545 CB 1.473 23 residues pruned to eliminate duplicates Z: 12 3.701 1.523 0.284 0.432 0.818 0.545 CB 0.748 12 residues pruned to eliminate duplicates Z: 14 13.467 2.127 0.668 0.422 0.846 0.692 CB 1.349 14 residues pruned to eliminate duplicates Z: 46 30.682 2.131 0.589 0.474 0.933 0.533 CB 1.486 46 residues pruned to eliminate duplicates Z: 104 42.349 2.138 0.557 0.498 0.883 0.524 CB 1.422 104 residues pruned to eliminate duplicates Z: 8 11.027 1.798 0.571 0.621 1.000 0.571 CB 1.316 8 residues pruned to eliminate duplicates Z: 20 22.035 2.025 0.686 0.589 0.947 0.684 CB 1.436 20 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 5.584 1.625 1.051 0.237 0.800 0.600 C 1.271 6 residues pruned to eliminate duplicates Z: 56 33.205 2.174 0.758 0.493 0.855 0.545 CB 1.380 56 residues pruned to eliminate duplicates Z: 18 24.835 2.206 0.795 0.578 0.882 0.706 CB 1.600 18 residues pruned to eliminate duplicates Z: 48 33.493 2.179 0.710 0.539 0.894 0.638 CB 1.412 48 residues pruned to eliminate duplicates Z: 37 32.302 2.170 0.697 0.553 0.944 0.639 CB 1.471 37 residues pruned to eliminate duplicates Z: 38 31.793 2.118 0.779 0.555 0.892 0.541 CB 1.475 38 residues pruned to eliminate duplicates Z: 107 50.603 2.168 0.775 0.513 0.896 0.528 CB 1.407 107 residues pruned to eliminate duplicates Z: 13 21.761 2.237 0.751 0.593 0.917 0.667 CB 1.600 13 residues pruned to eliminate duplicates Z: 57 40.862 2.206 0.785 0.501 0.911 0.554 CB 1.521 57 residues pruned to eliminate duplicates Z: 32 22.464 2.145 0.635 0.486 0.806 0.581 CB 1.447 32 residues pruned to eliminate duplicates Z: 19 26.706 2.168 0.950 0.584 0.833 0.722 CB 1.648 19 residues pruned to eliminate duplicates Z: 34 28.566 2.154 0.668 0.536 0.879 0.667 CB 1.521 34 residues pruned to eliminate duplicates Z: 19 31.995 2.333 0.917 0.564 0.944 0.778 CB 1.679 19 residues pruned to eliminate duplicates Z: 20 21.340 2.127 0.695 0.586 0.842 0.632 CB 1.485 20 residues pruned to eliminate duplicates Z: 22 25.504 2.183 0.951 0.514 0.857 0.714 CB 1.503 22 residues pruned to eliminate duplicates Z: 42 24.879 2.094 0.712 0.449 0.854 0.537 CB 1.338 42 residues pruned to eliminate duplicates Z: 110 48.130 2.153 0.769 0.488 0.862 0.514 CB 1.421 110 residues pruned to eliminate duplicates Z: 57 33.657 2.156 0.762 0.452 0.839 0.571 CB 1.481 57 residues pruned to eliminate duplicates Z: 78 38.684 2.082 0.776 0.481 0.883 0.519 CB 1.375 78 residues pruned to eliminate duplicates Z: 38 28.674 2.206 0.618 0.513 0.892 0.622 CB 1.461 38 residues pruned to eliminate duplicates Z: 84 40.575 2.165 0.715 0.470 0.880 0.410 CB 1.406 84 residues pruned to eliminate duplicates Z: 17 16.662 1.916 0.688 0.530 0.938 0.625 CB 1.334 17 residues pruned to eliminate duplicates Z: 14 13.555 1.854 0.631 0.482 1.000 0.615 CB 1.266 14 residues pruned to eliminate duplicates Z: 111 49.767 2.134 0.741 0.517 0.900 0.509 CB 1.396 111 residues pruned to eliminate duplicates Z: 17 15.939 2.029 0.447 0.587 0.875 0.500 CB 1.427 17 residues pruned to eliminate duplicates Z: 35 23.852 2.121 0.623 0.467 0.853 0.559 CB 1.441 35 residues pruned to eliminate duplicates Z: 51 27.133 2.021 0.815 0.441 0.820 0.560 CB 1.356 51 residues pruned to eliminate duplicates Z: 34 26.673 2.092 0.751 0.503 0.879 0.636 CB 1.439 34 residues pruned to eliminate duplicates Z: 47 28.659 2.083 0.878 0.492 0.848 0.565 CB 1.284 47 residues pruned to eliminate duplicates Z: 30 20.593 2.009 0.754 0.430 0.862 0.414 CB 1.353 30 residues pruned to eliminate duplicates Z: 18 18.010 2.031 0.856 0.490 0.824 0.588 CB 1.421 18 residues pruned to eliminate duplicates Z: 16 15.228 2.070 0.748 0.415 0.867 0.467 CB 1.371 16 residues pruned to eliminate duplicates Z: 29 20.326 1.998 0.726 0.417 0.857 0.571 CB 1.418 29 residues pruned to eliminate duplicates Z: 18 20.046 1.983 1.071 0.451 0.941 0.588 CB 1.323 18 residues pruned to eliminate duplicates Z: 50 31.914 2.143 0.766 0.443 0.898 0.490 CB 1.422 50 residues pruned to eliminate duplicates Z: 39 28.471 2.163 0.790 0.446 0.921 0.500 CB 1.369 39 residues pruned to eliminate duplicates Z: 12 14.064 1.997 1.071 0.368 0.909 0.364 CB 1.299 12 residues pruned to eliminate duplicates Z: 29 22.693 2.079 0.732 0.424 0.857 0.607 CB 1.503 29 residues pruned to eliminate duplicates Z: 47 34.430 2.216 0.770 0.476 0.935 0.543 CB 1.418 47 residues pruned to eliminate duplicates Z: 82 41.451 2.180 0.780 0.462 0.864 0.432 CB 1.427 82 residues pruned to eliminate duplicates Z: 43 36.744 2.203 0.888 0.485 0.952 0.405 CB 1.453 43 residues pruned to eliminate duplicates Z: 95 40.437 2.136 0.705 0.441 0.872 0.511 CB 1.395 95 residues pruned to eliminate duplicates Z: 22 25.062 2.195 0.889 0.461 0.905 0.476 CB 1.516 22 residues pruned to eliminate duplicates Z: 43 34.239 2.225 0.738 0.486 0.929 0.476 CB 1.492 43 residues pruned to eliminate duplicates Z: 78 45.400 2.139 0.856 0.524 0.935 0.584 CB 1.362 78 residues pruned to eliminate duplicates Z: 26 28.361 2.176 0.869 0.497 0.920 0.560 CB 1.520 26 residues pruned to eliminate duplicates Z: 40 28.649 2.086 0.726 0.476 0.897 0.615 CB 1.455 40 residues pruned to eliminate duplicates Z: 60 35.682 2.184 0.795 0.439 0.881 0.559 CB 1.431 60 residues pruned to eliminate duplicates Z: 33 26.183 2.156 0.826 0.414 0.875 0.625 CB 1.470 33 residues pruned to eliminate duplicates Z: 51 33.042 2.169 0.779 0.488 0.900 0.520 CB 1.362 51 residues pruned to eliminate duplicates Z: 71 34.345 2.134 0.676 0.478 0.900 0.557 CB 1.304 71 residues pruned to eliminate duplicates Z: 67 37.628 2.145 0.802 0.480 0.909 0.530 CB 1.345 67 residues pruned to eliminate duplicates Z: 22 22.062 2.211 0.683 0.500 0.857 0.333 CB 1.509 22 residues pruned to eliminate duplicates Z: 63 34.777 2.147 0.748 0.425 0.919 0.452 CB 1.383 63 residues pruned to eliminate duplicates Z: 78 42.412 2.138 0.759 0.510 0.935 0.494 CB 1.360 78 residues pruned to eliminate duplicates Z: 23 20.319 2.122 0.782 0.473 0.864 0.455 CB 1.364 23 residues pruned to eliminate duplicates Z: 47 33.794 2.174 0.876 0.477 0.891 0.565 CB 1.403 47 residues pruned to eliminate duplicates Z: 22 14.001 2.056 0.634 0.472 0.762 0.381 CB 1.228 22 residues pruned to eliminate duplicates Z: 54 34.397 2.138 0.853 0.460 0.906 0.491 CB 1.371 54 residues pruned to eliminate duplicates Z: 80 44.749 2.105 0.840 0.505 0.924 0.557 CB 1.400 80 residues pruned to eliminate duplicates Z: 47 38.147 2.224 0.891 0.476 0.935 0.522 CB 1.465 47 residues pruned to eliminate duplicates Z: 66 36.842 2.112 0.698 0.471 0.923 0.508 CB 1.421 66 residues pruned to eliminate duplicates Z: 73 45.127 2.178 0.890 0.493 0.903 0.639 CB 1.441 73 residues pruned to eliminate duplicates Z: 56 26.819 2.129 0.760 0.383 0.855 0.491 CB 1.279 56 residues pruned to eliminate duplicates Z: 81 41.637 2.177 0.768 0.469 0.863 0.550 CB 1.447 81 residues pruned to eliminate duplicates Z: 90 40.594 2.117 0.733 0.461 0.876 0.584 CB 1.394 90 residues pruned to eliminate duplicates Z: 47 37.516 2.231 0.855 0.478 0.935 0.565 CB 1.462 47 residues pruned to eliminate duplicates Z: 52 39.054 2.130 0.889 0.535 0.961 0.412 CB 1.367 52 residues pruned to eliminate duplicates Z: 53 33.965 2.161 0.830 0.455 0.904 0.442 CB 1.380 53 residues pruned to eliminate duplicates Z: 26 22.200 2.107 0.884 0.408 0.840 0.440 CB 1.467 26 residues pruned to eliminate duplicates Z: 36 24.801 2.135 0.882 0.384 0.857 0.343 CB 1.378 36 residues pruned to eliminate duplicates Z: 78 44.462 2.140 0.758 0.529 0.935 0.545 CB 1.400 78 residues pruned to eliminate duplicates Z: 53 32.866 2.094 0.760 0.540 0.904 0.481 CB 1.316 53 residues pruned to eliminate duplicates Z: 78 43.156 2.143 0.804 0.508 0.909 0.584 CB 1.388 78 residues pruned to eliminate duplicates Z: 64 39.961 2.133 0.822 0.531 0.921 0.540 CB 1.365 64 residues pruned to eliminate duplicates Z: 78 44.805 2.143 0.809 0.504 0.948 0.558 CB 1.384 78 residues pruned to eliminate duplicates Z: 79 44.740 2.130 0.835 0.511 0.897 0.500 CB 1.428 79 residues pruned to eliminate duplicates Z: 30 25.304 2.002 0.856 0.565 0.931 0.483 CB 1.275 30 residues pruned to eliminate duplicates Z: 28 26.455 2.061 0.898 0.630 0.926 0.519 CB 1.244 28 residues pruned to eliminate duplicates Z: 78 41.262 2.119 0.795 0.503 0.909 0.597 CB 1.356 78 residues pruned to eliminate duplicates Z: 54 34.619 2.126 0.854 0.507 0.887 0.547 CB 1.350 54 residues pruned to eliminate duplicates Z: 32 25.530 1.963 0.826 0.563 0.968 0.613 CB 1.243 32 residues pruned to eliminate duplicates Z: 29 28.409 2.004 0.969 0.597 0.964 0.607 CB 1.286 29 residues pruned to eliminate duplicates Z: 31 22.073 1.950 0.754 0.560 0.900 0.600 CB 1.235 31 residues pruned to eliminate duplicates Z: 31 25.201 2.007 0.890 0.583 0.967 0.633 CB 1.159 31 residues pruned to eliminate duplicates Z: 78 40.028 2.132 0.759 0.515 0.883 0.597 CB 1.357 78 residues pruned to eliminate duplicates Z: 23 25.970 1.987 0.875 0.687 0.955 0.636 CB 1.312 23 residues pruned to eliminate duplicates Z: 78 41.394 2.127 0.872 0.497 0.909 0.545 CB 1.308 78 residues pruned to eliminate duplicates Z: 31 24.427 2.010 0.826 0.569 0.933 0.600 CB 1.218 31 residues pruned to eliminate duplicates Z: 106 49.533 2.150 0.817 0.501 0.905 0.590 CB 1.367 106 residues pruned to eliminate duplicates Z: 92 45.782 2.116 0.833 0.520 0.912 0.615 CB 1.330 92 residues pruned to eliminate duplicates Z: 78 42.174 2.136 0.836 0.522 0.896 0.597 CB 1.339 78 residues pruned to eliminate duplicates Z: 79 41.806 2.094 0.824 0.492 0.936 0.603 CB 1.335 79 residues pruned to eliminate duplicates Z: 24 24.074 1.962 0.771 0.680 0.957 0.783 CB 1.280 24 residues pruned to eliminate duplicates Z: 79 43.991 2.124 0.849 0.488 0.962 0.513 CB 1.335 79 residues pruned to eliminate duplicates Z: 30 24.392 2.039 0.740 0.572 0.966 0.690 CB 1.234 30 residues pruned to eliminate duplicates Z: 31 25.035 1.952 0.848 0.553 0.933 0.700 CB 1.288 31 residues pruned to eliminate duplicates Z: 80 47.330 2.123 0.917 0.524 0.937 0.557 CB 1.364 80 residues pruned to eliminate duplicates Z: 11 23.386 1.829 1.036 0.917 1.000 0.700 CB 1.402 11 residues pruned to eliminate duplicates Z: 11 21.572 1.663 1.195 0.915 1.000 0.600 CA 1.320 10 residues pruned to eliminate duplicates Z: 11 26.325 1.850 1.188 0.918 1.000 0.600 CB 1.450 12 residues pruned to eliminate duplicates Z: 8 5.122 1.565 0.575 0.586 0.714 0.714 C 1.012 8 residues pruned to eliminate duplicates Z: 17 26.188 2.132 0.813 0.620 0.938 0.625 CA 1.614 18 residues pruned to eliminate duplicates Z: 7 7.671 2.094 0.627 0.270 0.833 0.167 CA 1.431 7 residues pruned to eliminate duplicates Z: 20 19.986 2.043 0.814 0.503 0.842 0.421 CB 1.464 14 residues pruned to eliminate duplicates Z: 6 2.885 1.618 0.582 0.176 0.800 0.600 CB 0.933 6 residues pruned to eliminate duplicates Z: 57 30.962 2.189 0.537 0.477 0.911 0.571 CB 1.383 57 residues pruned to eliminate duplicates Z: 45 25.658 2.087 0.568 0.490 0.886 0.636 CB 1.348 45 residues pruned to eliminate duplicates Z: 92 43.913 2.168 0.804 0.466 0.890 0.495 CB 1.368 92 residues pruned to eliminate duplicates Z: 21 20.974 2.113 0.704 0.504 0.950 0.750 CB 1.365 21 residues pruned to eliminate duplicates Z: 46 35.589 2.152 0.738 0.538 0.911 0.556 CB 1.500 46 residues pruned to eliminate duplicates Z: 17 11.758 1.961 0.563 0.257 0.875 0.625 CB 1.448 17 residues pruned to eliminate duplicates Z: 93 41.055 2.164 0.666 0.454 0.870 0.522 CB 1.431 93 residues pruned to eliminate duplicates Z: 39 24.656 2.202 0.735 0.495 0.868 0.658 CB 1.212 39 residues pruned to eliminate duplicates Z: 20 27.457 2.211 0.829 0.544 0.947 0.737 CB 1.575 20 residues pruned to eliminate duplicates Z: 55 36.965 2.212 0.666 0.504 0.926 0.611 CB 1.469 55 residues pruned to eliminate duplicates Z: 110 51.654 2.147 0.772 0.519 0.890 0.505 CB 1.434 110 residues pruned to eliminate duplicates Z: 94 35.915 2.106 0.602 0.410 0.871 0.516 CB 1.393 94 residues pruned to eliminate duplicates Z: 89 39.856 2.144 0.638 0.469 0.909 0.523 CB 1.373 89 residues pruned to eliminate duplicates Z: 101 42.928 2.137 0.649 0.457 0.890 0.540 CB 1.430 101 residues pruned to eliminate duplicates Z: 43 27.573 2.146 0.820 0.473 0.881 0.619 CB 1.271 43 residues pruned to eliminate duplicates Z: 62 31.875 2.127 0.783 0.464 0.852 0.623 CB 1.310 62 residues pruned to eliminate duplicates Z: 57 36.376 2.174 0.746 0.504 0.911 0.589 CB 1.400 57 residues pruned to eliminate duplicates Z: 57 37.698 2.184 0.844 0.486 0.911 0.607 CB 1.393 57 residues pruned to eliminate duplicates Z: 110 44.796 2.120 0.711 0.482 0.872 0.495 CB 1.382 110 residues pruned to eliminate duplicates Z: 21 15.950 2.014 0.567 0.534 0.900 0.650 CB 1.215 21 residues pruned to eliminate duplicates Z: 57 41.491 2.193 0.872 0.529 0.929 0.679 CB 1.413 57 residues pruned to eliminate duplicates Z: 41 23.230 2.035 0.735 0.400 0.900 0.575 CB 1.284 41 residues pruned to eliminate duplicates Z: 29 23.799 2.109 0.755 0.482 0.929 0.500 CB 1.333 29 residues pruned to eliminate duplicates Z: 26 14.115 1.919 0.537 0.461 0.840 0.560 CB 1.185 26 residues pruned to eliminate duplicates Z: 56 39.312 2.222 0.824 0.509 0.891 0.582 CB 1.455 56 residues pruned to eliminate duplicates Z: 24 17.103 2.077 0.723 0.452 0.913 0.478 CB 1.146 24 residues pruned to eliminate duplicates Z: 42 20.934 2.016 0.533 0.424 0.927 0.512 CB 1.235 42 residues pruned to eliminate duplicates Z: 41 25.064 2.088 0.724 0.480 0.925 0.675 CB 1.214 41 residues pruned to eliminate duplicates Z: 13 5.533 1.755 0.442 0.404 0.833 0.500 CB 0.838 13 residues pruned to eliminate duplicates Z: 34 20.594 2.074 0.547 0.438 0.909 0.545 CB 1.311 34 residues pruned to eliminate duplicates Z: 10 3.932 1.885 0.062 0.383 0.778 0.556 CB 0.953 10 residues pruned to eliminate duplicates Z: 28 20.482 2.119 0.660 0.444 0.889 0.519 CB 1.336 28 residues pruned to eliminate duplicates Z: 55 28.594 2.146 0.614 0.431 0.889 0.444 CB 1.358 55 residues pruned to eliminate duplicates Z: 25 22.730 2.172 0.704 0.459 0.917 0.500 CB 1.426 25 residues pruned to eliminate duplicates Z: 27 16.559 1.986 0.581 0.450 0.808 0.500 CB 1.348 27 residues pruned to eliminate duplicates Z: 50 30.491 2.125 0.628 0.468 0.918 0.510 CB 1.416 50 residues pruned to eliminate duplicates Z: 20 19.087 1.989 0.877 0.420 0.947 0.632 CB 1.346 20 residues pruned to eliminate duplicates Z: 21 22.717 2.174 0.718 0.452 0.900 0.550 CB 1.587 21 residues pruned to eliminate duplicates Z: 24 22.707 2.070 0.784 0.469 0.913 0.609 CB 1.450 24 residues pruned to eliminate duplicates Z: 80 38.345 2.070 0.656 0.505 0.911 0.481 CB 1.374 80 residues pruned to eliminate duplicates Z: 14 17.813 2.102 0.840 0.423 0.923 0.615 CB 1.499 14 residues pruned to eliminate duplicates Z: 46 31.659 2.150 0.709 0.455 0.911 0.467 CB 1.476 46 residues pruned to eliminate duplicates Z: 29 23.700 2.088 0.943 0.463 0.893 0.500 CB 1.283 29 residues pruned to eliminate duplicates Z: 77 40.217 2.117 0.741 0.496 0.868 0.539 CB 1.447 77 residues pruned to eliminate duplicates Z: 23 29.527 2.136 0.901 0.493 1.000 0.636 CB 1.560 23 residues pruned to eliminate duplicates Z: 60 31.564 2.134 0.654 0.443 0.847 0.559 CB 1.457 60 residues pruned to eliminate duplicates Z: 74 43.142 2.104 0.761 0.495 0.918 0.521 CB 1.492 74 residues pruned to eliminate duplicates Z: 55 30.244 2.130 0.628 0.451 0.870 0.519 CB 1.434 55 residues pruned to eliminate duplicates Z: 27 21.760 2.014 0.953 0.474 0.885 0.692 CB 1.259 27 residues pruned to eliminate duplicates Z: 61 33.444 2.157 0.633 0.447 0.883 0.533 CB 1.465 61 residues pruned to eliminate duplicates Z: 27 23.910 2.127 0.843 0.462 0.885 0.654 CB 1.406 27 residues pruned to eliminate duplicates Z: 25 20.742 2.049 0.662 0.476 0.917 0.625 CB 1.389 25 residues pruned to eliminate duplicates Z: 79 40.491 2.086 0.677 0.507 0.910 0.474 CB 1.430 79 residues pruned to eliminate duplicates Z: 87 39.650 2.117 0.629 0.474 0.895 0.570 CB 1.421 87 residues pruned to eliminate duplicates Z: 75 40.630 2.068 0.775 0.516 0.892 0.500 CB 1.420 75 residues pruned to eliminate duplicates Z: 45 32.021 2.084 0.630 0.497 0.932 0.568 CB 1.530 45 residues pruned to eliminate duplicates Z: 51 29.387 2.072 0.614 0.482 0.900 0.400 CB 1.406 51 residues pruned to eliminate duplicates Z: 13 16.252 2.055 0.600 0.450 0.917 0.500 CB 1.639 13 residues pruned to eliminate duplicates Z: 28 21.435 2.096 0.660 0.445 0.889 0.370 CB 1.411 28 residues pruned to eliminate duplicates Z: 55 26.659 2.051 0.631 0.428 0.833 0.556 CB 1.403 55 residues pruned to eliminate duplicates Z: 24 22.115 2.076 0.587 0.480 0.957 0.348 CB 1.493 24 residues pruned to eliminate duplicates Z: 52 30.270 2.121 0.658 0.472 0.922 0.471 CB 1.346 52 residues pruned to eliminate duplicates Z: 29 17.595 2.055 0.532 0.433 0.893 0.357 CB 1.267 29 residues pruned to eliminate duplicates Z: 23 19.918 2.136 0.415 0.501 0.864 0.500 CB 1.626 23 residues pruned to eliminate duplicates Z: 56 32.694 2.122 0.558 0.431 0.927 0.473 CB 1.544 56 residues pruned to eliminate duplicates Z: 33 22.113 2.040 0.578 0.468 0.844 0.469 CB 1.487 33 residues pruned to eliminate duplicates Z: 52 32.565 2.042 0.782 0.465 0.941 0.373 CB 1.380 52 residues pruned to eliminate duplicates Z: 77 37.982 2.093 0.645 0.469 0.882 0.474 CB 1.482 77 residues pruned to eliminate duplicates Z: 27 18.284 2.096 0.560 0.434 0.808 0.308 CB 1.453 27 residues pruned to eliminate duplicates Z: 24 19.552 2.143 0.562 0.468 0.783 0.391 CB 1.607 24 residues pruned to eliminate duplicates Z: 63 33.312 2.071 0.632 0.468 0.887 0.532 CB 1.458 63 residues pruned to eliminate duplicates Z: 27 17.530 2.085 0.585 0.453 0.769 0.500 CB 1.419 27 residues pruned to eliminate duplicates Z: 62 29.178 2.063 0.533 0.462 0.902 0.475 CB 1.361 62 residues pruned to eliminate duplicates Z: 53 35.224 2.051 0.635 0.540 0.942 0.423 CB 1.486 53 residues pruned to eliminate duplicates Z: 24 20.025 2.151 0.533 0.475 0.826 0.435 CB 1.573 24 residues pruned to eliminate duplicates Z: 58 30.523 2.103 0.691 0.429 0.912 0.579 CB 1.342 58 residues pruned to eliminate duplicates Z: 37 22.065 2.077 0.555 0.391 0.889 0.361 CB 1.437 37 residues pruned to eliminate duplicates Z: 27 18.639 2.106 0.481 0.431 0.885 0.385 CB 1.423 27 residues pruned to eliminate duplicates Z: 12 10.921 2.153 0.502 0.274 0.909 0.364 CB 1.447 12 residues pruned to eliminate duplicates Z: 60 33.125 2.157 0.584 0.432 0.915 0.593 CB 1.480 60 residues pruned to eliminate duplicates Z: 62 32.807 2.140 0.684 0.432 0.869 0.525 CB 1.440 62 residues pruned to eliminate duplicates Z: 54 33.444 2.047 0.706 0.533 0.887 0.434 CB 1.436 54 residues pruned to eliminate duplicates Z: 62 33.910 2.134 0.653 0.419 0.918 0.574 CB 1.459 62 residues pruned to eliminate duplicates Z: 12 12.694 2.087 0.705 0.293 0.909 0.545 CB 1.492 12 residues pruned to eliminate duplicates Z: 9 11.919 1.924 0.775 0.338 1.000 0.375 CB 1.473 9 residues pruned to eliminate duplicates Z: 53 30.337 2.064 0.664 0.523 0.846 0.615 CB 1.415 53 residues pruned to eliminate duplicates Z: 36 21.136 2.104 0.592 0.392 0.857 0.371 CB 1.395 36 residues pruned to eliminate duplicates Z: 29 28.291 2.049 0.751 0.600 0.964 0.536 CB 1.405 29 residues pruned to eliminate duplicates Z: 30 25.115 2.013 0.809 0.560 0.897 0.483 CB 1.348 30 residues pruned to eliminate duplicates Z: 79 40.061 2.091 0.644 0.504 0.949 0.628 CB 1.386 79 residues pruned to eliminate duplicates Z: 54 33.953 2.052 0.756 0.526 0.906 0.547 CB 1.393 54 residues pruned to eliminate duplicates Z: 54 34.076 2.068 0.717 0.528 0.925 0.528 CB 1.388 54 residues pruned to eliminate duplicates Z: 54 29.594 2.053 0.646 0.518 0.868 0.509 CB 1.361 54 residues pruned to eliminate duplicates Z: 53 37.328 2.090 0.738 0.532 0.942 0.538 CB 1.466 53 residues pruned to eliminate duplicates Z: 53 33.577 2.090 0.660 0.521 0.904 0.558 CB 1.455 53 residues pruned to eliminate duplicates Z: 27 31.326 2.065 0.821 0.639 1.000 0.654 CB 1.435 27 residues pruned to eliminate duplicates Z: 19 22.826 1.935 0.843 0.726 0.944 0.667 CB 1.304 19 residues pruned to eliminate duplicates Z: 52 35.067 2.112 0.691 0.544 0.902 0.549 CB 1.460 52 residues pruned to eliminate duplicates Z: 29 29.617 2.060 0.793 0.583 0.964 0.571 CB 1.450 29 residues pruned to eliminate duplicates Z: 31 30.518 1.996 0.873 0.592 0.967 0.600 CB 1.411 29 residues pruned to eliminate duplicates Z: 12 18.652 1.716 0.849 0.913 1.000 0.818 CA 1.255 12 residues pruned to eliminate duplicates Z: 79 43.259 2.100 0.761 0.507 0.923 0.603 CB 1.425 79 residues pruned to eliminate duplicates Z: 52 36.736 2.113 0.725 0.546 0.902 0.549 CB 1.496 54 residues pruned to eliminate duplicates Z: 10 21.871 1.821 1.171 0.892 1.000 0.778 CB 1.324 10 residues pruned to eliminate duplicates Z: 10 18.607 1.772 1.026 0.787 1.000 0.889 CB 1.343 10 residues pruned to eliminate duplicates Z: 54 37.624 2.078 0.723 0.544 0.925 0.547 CB 1.496 54 residues pruned to eliminate duplicates Z: 54 35.944 2.077 0.727 0.544 0.906 0.491 CB 1.457 54 residues pruned to eliminate duplicates Z: 21 19.653 2.090 0.510 0.622 0.950 0.600 CB 1.305 21 residues pruned to eliminate duplicates Z: 19 22.201 2.215 0.618 0.609 0.944 0.667 CB 1.394 19 residues pruned to eliminate duplicates Z: 18 23.910 2.222 0.703 0.633 0.882 0.765 CB 1.533 18 residues pruned to eliminate duplicates Z: 21 20.119 2.114 0.641 0.606 0.900 0.600 CB 1.302 21 residues pruned to eliminate duplicates Z: 6 4.842 1.618 0.810 0.287 0.800 0.400 CA 1.175 6 residues pruned to eliminate duplicates Z: 21 16.383 1.977 0.758 0.446 0.900 0.500 CB 1.239 21 residues pruned to eliminate duplicates Z: 15 16.657 2.116 0.895 0.529 0.786 0.643 CB 1.373 15 residues pruned to eliminate duplicates Z: 19 21.706 2.133 0.600 0.624 0.944 0.556 CB 1.412 19 residues pruned to eliminate duplicates Z: 22 18.556 2.017 0.649 0.614 0.905 0.571 CB 1.208 22 residues pruned to eliminate duplicates Z: 21 20.862 2.044 0.803 0.609 0.900 0.600 CB 1.267 21 residues pruned to eliminate duplicates Z: 20 24.069 2.100 0.757 0.613 0.947 0.474 CB 1.419 20 residues pruned to eliminate duplicates Z: 17 18.341 1.970 0.803 0.585 0.938 0.438 CB 1.270 17 residues pruned to eliminate duplicates 250 residues left after pruning, divided into chains as follows: A: 124 B: 126 CC for partial structure against native data = 55.30 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.344, Connect. = 0.706 for dens.mod. cycle 1 = 0.300, Contrast = 0.404, Connect. = 0.744 for dens.mod. cycle 2 = 0.300, Contrast = 0.482, Connect. = 0.772 for dens.mod. cycle 3 = 0.300, Contrast = 0.487, Connect. = 0.773 for dens.mod. cycle 4 = 0.300, Contrast = 0.499, Connect. = 0.775 for dens.mod. cycle 5 = 0.300, Contrast = 0.503, Connect. = 0.776 for dens.mod. cycle 6 = 0.300, Contrast = 0.510, Connect. = 0.777 for dens.mod. cycle 7 = 0.300, Contrast = 0.513, Connect. = 0.777 for dens.mod. cycle 8 = 0.300, Contrast = 0.518, Connect. = 0.777 for dens.mod. cycle 9 = 0.300, Contrast = 0.521, Connect. = 0.777 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1873 peaks > 0.5 sigma used to seed fragment search Space for about 269 unique residues taking solvent into account 375 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 18 25.568 2.279 0.643 0.634 0.882 0.647 CB 1.656 B: 18 18.713 2.167 0.540 0.548 0.941 0.706 CB 1.379 C: 55 41.017 2.221 0.744 0.519 0.907 0.611 CB 1.558 18 residues pruned to eliminate duplicates D: 85 36.715 2.155 0.534 0.471 0.869 0.548 CB 1.437 18 residues pruned to eliminate duplicates E: 8 15.183 2.192 0.209 0.907 1.000 1.000 CB 1.539 8 residues pruned to eliminate duplicates F: 10 17.002 1.955 0.453 0.868 1.000 0.889 CA 1.459 10 residues pruned to eliminate duplicates G: 10 11.867 2.093 0.854 0.376 0.778 0.556 CB 1.497 8 residues pruned to eliminate duplicates H: 11 19.346 1.752 0.946 0.885 1.000 0.600 CB 1.296 I: 54 29.442 2.034 0.791 0.451 0.887 0.566 CB 1.316 54 residues pruned to eliminate duplicates J: 37 31.088 2.204 0.613 0.578 0.944 0.611 CB 1.431 20 residues pruned to eliminate duplicates K: 11 14.275 1.971 0.654 0.551 1.000 0.600 CB 1.317 11 residues pruned to eliminate duplicates L: 68 38.181 2.034 0.714 0.509 0.866 0.567 CB 1.532 42 residues pruned to eliminate duplicates M: 7 15.688 1.912 0.717 0.830 1.000 0.500 CB 1.467 N: 30 19.371 2.080 0.520 0.461 0.897 0.552 CB 1.320 30 residues pruned to eliminate duplicates O: 13 14.532 1.558 0.739 0.873 1.000 0.833 CA 1.129 12 residues pruned to eliminate duplicates P: 94 40.963 2.116 0.624 0.465 0.903 0.548 CB 1.419 79 residues pruned to eliminate duplicates Q: 31 23.170 2.010 0.712 0.410 0.933 0.600 CB 1.447 31 residues pruned to eliminate duplicates R: 22 22.063 2.128 0.581 0.577 0.952 0.667 CB 1.396 22 residues pruned to eliminate duplicates S: 79 41.122 2.099 0.707 0.503 0.885 0.500 CB 1.465 79 residues pruned to eliminate duplicates T: 16 19.855 2.187 1.009 0.429 0.867 0.600 CB 1.448 16 residues pruned to eliminate duplicates U: 8 13.021 2.186 0.100 0.874 1.000 0.857 CB 1.489 8 residues pruned to eliminate duplicates V: 25 20.078 2.050 0.591 0.445 0.917 0.583 CB 1.449 25 residues pruned to eliminate duplicates W: 7 6.610 1.909 0.403 0.458 0.833 0.833 CB 1.262 7 residues pruned to eliminate duplicates X: 41 25.475 2.039 0.659 0.524 0.900 0.650 CB 1.293 41 residues pruned to eliminate duplicates Y: 10 11.467 2.068 0.657 0.342 0.778 0.444 CA 1.704 10 residues pruned to eliminate duplicates Z: 64 34.047 2.068 0.521 0.516 0.889 0.476 CB 1.510 64 residues pruned to eliminate duplicates Z: 91 42.881 2.126 0.656 0.507 0.900 0.511 CB 1.417 57 residues pruned to eliminate duplicates Z: 23 15.419 2.043 0.761 0.429 0.818 0.591 CB 1.202 23 residues pruned to eliminate duplicates Z: 12 14.923 1.711 0.731 0.909 0.909 0.818 CA 1.186 12 residues pruned to eliminate duplicates Z: 24 22.333 2.064 0.756 0.470 0.870 0.652 CB 1.523 24 residues pruned to eliminate duplicates Z: 8 10.736 1.834 0.802 0.746 0.857 0.286 CA 1.150 8 residues pruned to eliminate duplicates Z: 9 20.321 2.364 0.696 0.491 1.000 0.500 CB 1.809 9 residues pruned to eliminate duplicates Z: 12 9.002 1.888 0.428 0.443 0.909 0.545 CB 1.174 12 residues pruned to eliminate duplicates Z: 20 23.074 2.102 0.724 0.626 0.895 0.526 CB 1.450 20 residues pruned to eliminate duplicates Z: 28 24.222 2.130 0.668 0.448 0.926 0.630 CB 1.495 28 residues pruned to eliminate duplicates Z: 59 34.299 2.125 0.620 0.426 0.897 0.517 CB 1.575 59 residues pruned to eliminate duplicates Z: 8 19.914 2.186 0.513 0.896 1.000 0.714 CA 1.630 8 residues pruned to eliminate duplicates Z: 26 23.521 2.217 0.644 0.458 0.920 0.640 CB 1.466 26 residues pruned to eliminate duplicates Z: 37 25.284 2.120 0.579 0.464 0.833 0.528 CB 1.568 37 residues pruned to eliminate duplicates Z: 23 18.566 1.991 0.688 0.526 0.818 0.591 CB 1.403 23 residues pruned to eliminate duplicates Z: 79 41.539 2.107 0.727 0.515 0.949 0.513 CB 1.342 79 residues pruned to eliminate duplicates Z: 12 14.311 1.733 0.658 0.881 0.909 0.818 CA 1.196 12 residues pruned to eliminate duplicates Z: 83 46.733 2.194 0.777 0.495 0.927 0.585 CB 1.436 83 residues pruned to eliminate duplicates Z: 8 14.054 2.232 0.128 0.911 1.000 1.000 CB 1.495 8 residues pruned to eliminate duplicates Z: 23 24.044 2.286 0.576 0.538 0.864 0.636 CB 1.586 23 residues pruned to eliminate duplicates Z: 17 16.720 2.106 0.713 0.423 0.938 0.750 CB 1.339 17 residues pruned to eliminate duplicates Z: 10 28.180 1.979 1.191 0.910 1.000 0.889 CA 1.537 12 residues pruned to eliminate duplicates Z: 9 16.810 1.896 0.671 0.724 1.000 0.750 C 1.532 9 residues pruned to eliminate duplicates Z: 8 15.435 1.924 0.530 0.828 1.000 0.857 C 1.492 8 residues pruned to eliminate duplicates Z: 11 5.974 1.970 0.221 0.416 0.700 0.400 CA 1.225 11 residues pruned to eliminate duplicates Z: 10 17.473 1.864 0.535 0.900 1.000 0.889 CA 1.455 10 residues pruned to eliminate duplicates Z: 40 25.032 2.200 0.638 0.483 0.821 0.513 CB 1.379 40 residues pruned to eliminate duplicates Z: 16 12.251 2.117 0.320 0.420 0.800 0.600 CB 1.538 16 residues pruned to eliminate duplicates Z: 6 13.625 2.234 0.169 0.860 1.000 0.800 CB 1.716 6 residues pruned to eliminate duplicates Z: 8 7.518 1.990 0.385 0.328 0.857 0.571 CB 1.452 8 residues pruned to eliminate duplicates Z: 8 18.537 2.192 0.350 0.904 1.000 1.000 CB 1.686 8 residues pruned to eliminate duplicates Z: 7 17.421 2.317 0.257 0.897 1.000 1.000 CB 1.748 7 residues pruned to eliminate duplicates Z: 24 20.672 2.115 0.727 0.499 0.826 0.565 CB 1.431 24 residues pruned to eliminate duplicates Z: 7 10.797 1.818 0.394 0.800 1.000 0.500 CA 1.337 7 residues pruned to eliminate duplicates Z: 15 13.568 1.882 0.653 0.535 0.786 0.571 CA 1.434 15 residues pruned to eliminate duplicates Z: 24 22.620 2.197 0.587 0.540 0.870 0.652 CB 1.496 24 residues pruned to eliminate duplicates Z: 21 23.816 2.035 0.668 0.637 0.900 0.550 CB 1.533 21 residues pruned to eliminate duplicates Z: 39 30.862 2.196 0.728 0.491 0.947 0.579 CB 1.406 39 residues pruned to eliminate duplicates Z: 107 46.607 2.100 0.660 0.472 0.934 0.538 CB 1.430 108 residues pruned to eliminate duplicates Z: 54 32.867 2.059 0.597 0.528 0.906 0.660 CB 1.475 52 residues pruned to eliminate duplicates Z: 62 29.653 2.105 0.530 0.444 0.869 0.492 CB 1.437 62 residues pruned to eliminate duplicates Z: 78 44.113 2.144 0.817 0.508 0.909 0.571 CB 1.408 78 residues pruned to eliminate duplicates Z: 11 14.855 1.675 0.561 0.825 1.000 0.800 CA 1.356 11 residues pruned to eliminate duplicates Z: 28 28.586 2.043 0.846 0.613 0.926 0.667 CB 1.416 28 residues pruned to eliminate duplicates Z: 27 32.885 2.109 1.019 0.551 0.923 0.615 CB 1.561 27 residues pruned to eliminate duplicates Z: 19 28.362 2.111 0.925 0.538 0.944 0.556 CB 1.678 19 residues pruned to eliminate duplicates Z: 55 35.431 2.102 0.731 0.509 0.889 0.611 CB 1.477 55 residues pruned to eliminate duplicates Z: 8 16.324 2.119 0.490 0.844 1.000 0.714 CB 1.454 8 residues pruned to eliminate duplicates Z: 7 14.479 2.230 0.486 0.835 0.833 0.667 CA 1.603 7 residues pruned to eliminate duplicates Z: 8 15.091 2.072 0.502 0.891 0.857 0.714 CA 1.537 8 residues pruned to eliminate duplicates Z: 7 12.290 1.772 0.552 0.846 1.000 0.833 CA 1.355 7 residues pruned to eliminate duplicates Z: 20 23.154 2.186 0.641 0.611 0.947 0.579 CB 1.406 20 residues pruned to eliminate duplicates Z: 49 28.603 2.124 0.654 0.470 0.875 0.500 CB 1.384 49 residues pruned to eliminate duplicates Z: 8 12.967 2.115 0.337 0.771 0.857 0.429 CB 1.591 8 residues pruned to eliminate duplicates Z: 7 14.694 1.870 0.769 0.840 1.000 0.500 CA 1.353 7 residues pruned to eliminate duplicates Z: 10 18.034 1.950 0.610 0.832 1.000 0.778 CA 1.437 10 residues pruned to eliminate duplicates Z: 15 9.139 1.977 0.321 0.510 0.786 0.357 CB 1.179 15 residues pruned to eliminate duplicates Z: 8 14.924 2.064 0.711 0.869 0.714 0.714 CB 1.634 8 residues pruned to eliminate duplicates Z: 8 15.363 2.054 0.623 0.825 0.857 0.429 CA 1.534 8 residues pruned to eliminate duplicates Z: 15 11.446 1.986 0.276 0.512 0.857 0.571 CB 1.392 15 residues pruned to eliminate duplicates Z: 18 26.281 2.272 0.748 0.634 1.000 0.706 CB 1.415 18 residues pruned to eliminate duplicates Z: 13 16.806 2.035 0.959 0.413 0.833 0.583 CB 1.600 13 residues pruned to eliminate duplicates Z: 42 21.104 1.972 0.523 0.431 0.878 0.561 CB 1.343 42 residues pruned to eliminate duplicates Z: 8 11.075 1.858 0.224 0.883 0.857 0.857 C 1.552 8 residues pruned to eliminate duplicates Z: 24 17.591 2.128 0.494 0.493 0.870 0.522 CB 1.336 24 residues pruned to eliminate duplicates Z: 10 17.669 1.957 0.521 0.874 1.000 0.889 CB 1.441 10 residues pruned to eliminate duplicates Z: 22 22.980 2.036 0.713 0.492 0.905 0.524 CB 1.602 20 residues pruned to eliminate duplicates Z: 75 37.086 2.096 0.595 0.446 0.905 0.568 CB 1.505 75 residues pruned to eliminate duplicates Z: 11 15.069 1.692 0.557 0.889 1.000 0.900 CB 1.302 11 residues pruned to eliminate duplicates Z: 8 12.200 1.780 0.610 0.738 0.857 0.571 C 1.517 8 residues pruned to eliminate duplicates Z: 8 19.955 2.228 0.509 0.906 1.000 0.857 CB 1.595 8 residues pruned to eliminate duplicates Z: 8 14.496 2.136 0.199 0.844 1.000 0.857 CA 1.592 8 residues pruned to eliminate duplicates Z: 34 22.877 2.111 0.721 0.443 0.848 0.576 CB 1.371 34 residues pruned to eliminate duplicates Z: 17 9.236 1.904 0.270 0.462 0.812 0.625 CB 1.223 17 residues pruned to eliminate duplicates Z: 7 8.984 1.750 0.411 0.890 1.000 0.833 CB 1.068 7 residues pruned to eliminate duplicates Z: 7 10.052 1.895 0.135 0.856 1.000 0.833 CA 1.408 7 residues pruned to eliminate duplicates Z: 12 18.085 1.711 0.894 0.916 0.909 0.727 CA 1.307 13 residues pruned to eliminate duplicates Z: 78 43.433 2.140 0.727 0.511 0.948 0.506 CB 1.398 78 residues pruned to eliminate duplicates Z: 33 24.140 2.151 0.610 0.428 0.938 0.625 CB 1.416 33 residues pruned to eliminate duplicates Z: 9 10.483 1.800 0.352 0.885 1.000 0.750 CA 1.099 9 residues pruned to eliminate duplicates Z: 19 20.427 2.063 0.638 0.539 0.889 0.500 CB 1.543 19 residues pruned to eliminate duplicates Z: 47 27.750 2.040 0.647 0.445 0.891 0.500 CB 1.447 47 residues pruned to eliminate duplicates Z: 8 22.009 2.184 0.651 0.881 1.000 0.857 CA 1.671 8 residues pruned to eliminate duplicates Z: 12 15.839 1.978 0.964 0.480 0.909 0.727 CB 1.380 12 residues pruned to eliminate duplicates Z: 91 43.532 2.108 0.610 0.517 0.922 0.567 CB 1.441 92 residues pruned to eliminate duplicates Z: 15 16.156 2.093 0.716 0.415 0.857 0.429 CB 1.533 15 residues pruned to eliminate duplicates Z: 6 14.474 1.885 0.673 0.853 1.000 0.800 CA 1.517 6 residues pruned to eliminate duplicates Z: 20 27.311 2.096 0.843 0.575 0.947 0.526 CB 1.593 20 residues pruned to eliminate duplicates Z: 23 23.901 2.057 0.635 0.511 1.000 0.727 CB 1.499 23 residues pruned to eliminate duplicates Z: 76 39.217 2.104 0.725 0.475 0.867 0.560 CB 1.477 76 residues pruned to eliminate duplicates Z: 57 42.000 2.227 0.742 0.505 0.911 0.607 CB 1.581 57 residues pruned to eliminate duplicates Z: 8 22.001 1.954 0.961 0.864 1.000 1.000 CB 1.591 8 residues pruned to eliminate duplicates Z: 11 11.398 1.787 0.730 0.529 0.900 0.500 CB 1.259 11 residues pruned to eliminate duplicates Z: 33 20.114 2.113 0.498 0.445 0.844 0.438 CB 1.409 33 residues pruned to eliminate duplicates Z: 21 21.492 2.059 0.817 0.595 0.950 0.700 CB 1.235 21 residues pruned to eliminate duplicates Z: 16 14.670 2.044 0.523 0.424 0.867 0.467 CB 1.519 16 residues pruned to eliminate duplicates Z: 50 29.498 2.115 0.612 0.447 0.898 0.429 CB 1.454 50 residues pruned to eliminate duplicates Z: 20 22.727 2.206 0.603 0.598 0.947 0.526 CB 1.417 20 residues pruned to eliminate duplicates Z: 52 33.983 2.195 0.760 0.459 0.902 0.490 CB 1.424 52 residues pruned to eliminate duplicates Z: 34 27.923 2.181 0.606 0.494 0.970 0.636 CB 1.439 34 residues pruned to eliminate duplicates Z: 9 10.896 1.883 0.171 0.796 0.875 0.625 CB 1.541 9 residues pruned to eliminate duplicates Z: 9 14.625 1.823 0.397 0.898 1.000 0.625 CA 1.453 9 residues pruned to eliminate duplicates Z: 7 8.446 1.816 0.536 0.703 0.833 0.333 CA 1.233 7 residues pruned to eliminate duplicates Z: 7 11.806 1.746 0.829 0.847 0.833 0.667 CA 1.345 7 residues pruned to eliminate duplicates Z: 19 23.708 2.143 0.680 0.547 0.944 0.556 CB 1.569 21 residues pruned to eliminate duplicates Z: 22 24.580 2.022 0.626 0.567 1.000 0.714 CB 1.530 22 residues pruned to eliminate duplicates Z: 38 21.093 2.068 0.629 0.433 0.838 0.568 CB 1.317 38 residues pruned to eliminate duplicates Z: 7 10.485 1.966 0.537 0.775 1.000 0.333 CA 1.111 7 residues pruned to eliminate duplicates Z: 69 35.609 2.145 0.683 0.439 0.868 0.529 CB 1.468 69 residues pruned to eliminate duplicates Z: 60 36.642 2.179 0.820 0.468 0.915 0.525 CB 1.358 60 residues pruned to eliminate duplicates Z: 19 17.510 2.001 0.696 0.490 0.833 0.389 CA 1.474 19 residues pruned to eliminate duplicates Z: 11 11.237 1.882 0.425 0.488 1.000 0.600 CA 1.340 11 residues pruned to eliminate duplicates Z: 9 16.679 2.028 0.360 0.892 1.000 0.750 CA 1.536 9 residues pruned to eliminate duplicates Z: 6 5.018 1.650 0.223 0.760 0.800 0.600 CA 1.103 6 residues pruned to eliminate duplicates Z: 37 28.212 2.151 0.647 0.536 0.889 0.639 CB 1.441 37 residues pruned to eliminate duplicates Z: 25 27.276 2.131 0.879 0.587 0.958 0.750 CB 1.335 25 residues pruned to eliminate duplicates Z: 21 26.254 2.094 0.795 0.624 1.000 0.650 CB 1.390 21 residues pruned to eliminate duplicates Z: 8 9.759 1.752 0.365 0.885 1.000 0.714 CA 1.114 8 residues pruned to eliminate duplicates Z: 69 38.116 2.095 0.831 0.468 0.868 0.500 CB 1.435 69 residues pruned to eliminate duplicates Z: 8 13.783 2.142 0.324 0.879 1.000 0.714 CB 1.332 8 residues pruned to eliminate duplicates Z: 7 8.005 1.971 0.282 0.905 1.000 0.667 CB 0.921 7 residues pruned to eliminate duplicates Z: 14 18.100 2.147 0.642 0.653 0.846 0.769 CB 1.460 14 residues pruned to eliminate duplicates Z: 13 13.949 1.968 0.640 0.575 0.917 0.667 CA 1.266 13 residues pruned to eliminate duplicates Z: 12 8.261 1.759 0.388 0.351 0.818 0.727 CA 1.466 12 residues pruned to eliminate duplicates Z: 8 15.802 2.148 0.715 0.889 0.857 0.714 CB 1.362 8 residues pruned to eliminate duplicates Z: 32 17.761 1.900 0.574 0.443 0.839 0.516 CB 1.349 32 residues pruned to eliminate duplicates Z: 79 42.804 2.073 0.729 0.527 0.872 0.577 CB 1.509 79 residues pruned to eliminate duplicates Z: 28 21.746 2.072 0.541 0.482 0.889 0.444 CB 1.501 28 residues pruned to eliminate duplicates Z: 19 27.425 2.142 0.783 0.583 0.944 0.667 CA 1.655 19 residues pruned to eliminate duplicates Z: 20 20.450 2.171 0.407 0.594 0.947 0.684 CB 1.481 20 residues pruned to eliminate duplicates Z: 40 27.746 2.076 0.664 0.472 0.897 0.615 CB 1.474 40 residues pruned to eliminate duplicates Z: 6 7.723 1.897 0.307 0.843 0.800 0.600 CA 1.297 6 residues pruned to eliminate duplicates Z: 87 40.932 2.144 0.614 0.465 0.919 0.581 CB 1.440 87 residues pruned to eliminate duplicates Z: 6 8.702 1.715 0.522 0.863 1.000 0.800 CB 1.093 6 residues pruned to eliminate duplicates Z: 29 15.226 1.930 0.609 0.466 0.821 0.429 CB 1.168 29 residues pruned to eliminate duplicates Z: 23 21.854 2.046 0.700 0.513 0.955 0.682 CB 1.386 23 residues pruned to eliminate duplicates Z: 126 49.316 2.161 0.609 0.517 0.888 0.520 CB 1.405 126 residues pruned to eliminate duplicates Z: 9 8.561 1.789 0.661 0.608 0.750 0.500 CB 1.226 9 residues pruned to eliminate duplicates Z: 26 17.379 2.020 0.446 0.476 0.840 0.520 CB 1.450 26 residues pruned to eliminate duplicates Z: 21 20.797 2.115 0.906 0.439 0.850 0.500 CB 1.446 21 residues pruned to eliminate duplicates Z: 11 19.287 1.844 0.772 0.895 0.900 0.800 CB 1.488 11 residues pruned to eliminate duplicates Z: 39 23.623 2.126 0.530 0.450 0.895 0.579 CB 1.386 39 residues pruned to eliminate duplicates Z: 8 8.311 1.846 0.117 0.910 1.000 0.857 CB 1.081 8 residues pruned to eliminate duplicates Z: 9 11.815 1.809 0.638 0.908 1.000 0.750 CB 1.001 9 residues pruned to eliminate duplicates Z: 14 13.246 2.035 0.474 0.527 0.923 0.615 CB 1.292 14 residues pruned to eliminate duplicates Z: 6 7.747 1.683 0.249 0.813 1.000 1.000 CB 1.255 6 residues pruned to eliminate duplicates Z: 6 2.134 1.474 0.418 0.294 0.600 0.400 CA 0.959 6 residues pruned to eliminate duplicates Z: 8 8.298 1.860 0.595 0.895 0.857 0.571 CB 0.884 8 residues pruned to eliminate duplicates Z: 103 43.761 2.072 0.582 0.507 0.902 0.578 CB 1.456 103 residues pruned to eliminate duplicates Z: 21 22.321 2.006 0.521 0.561 1.000 0.700 CB 1.542 21 residues pruned to eliminate duplicates Z: 12 3.659 1.332 0.250 0.520 0.909 0.364 CA 0.715 12 residues pruned to eliminate duplicates Z: 75 41.882 2.077 0.695 0.505 0.905 0.581 CB 1.521 75 residues pruned to eliminate duplicates Z: 41 23.463 2.019 0.678 0.481 0.875 0.625 CB 1.276 41 residues pruned to eliminate duplicates Z: 8 2.837 1.580 0.267 0.494 0.714 0.571 N 0.754 Z: 27 25.793 2.176 0.616 0.548 0.846 0.654 CB 1.622 27 residues pruned to eliminate duplicates Z: 25 25.329 1.967 0.660 0.529 0.958 0.625 CB 1.606 25 residues pruned to eliminate duplicates Z: 8 18.629 2.144 0.654 0.865 0.857 0.429 CA 1.697 8 residues pruned to eliminate duplicates Z: 47 33.894 2.194 0.709 0.511 0.913 0.543 CB 1.444 47 residues pruned to eliminate duplicates Z: 82 40.504 2.137 0.763 0.466 0.889 0.519 CB 1.390 82 residues pruned to eliminate duplicates Z: 27 22.872 2.132 0.510 0.467 0.923 0.462 CB 1.562 27 residues pruned to eliminate duplicates Z: 6 5.867 1.629 0.410 0.679 1.000 0.800 CB 0.969 6 residues pruned to eliminate duplicates Z: 38 29.180 2.122 0.673 0.552 0.892 0.649 CB 1.439 38 residues pruned to eliminate duplicates Z: 11 21.311 1.754 0.830 0.916 1.000 0.500 CB 1.482 11 residues pruned to eliminate duplicates Z: 7 9.192 1.788 0.310 0.737 1.000 0.667 C 1.295 7 residues pruned to eliminate duplicates Z: 22 23.324 2.112 0.732 0.520 0.905 0.524 CB 1.507 22 residues pruned to eliminate duplicates Z: 7 7.756 1.832 0.076 0.865 0.833 0.833 CA 1.412 7 residues pruned to eliminate duplicates Z: 8 16.939 2.037 0.375 0.878 1.000 0.571 C 1.659 8 residues pruned to eliminate duplicates Z: 7 7.098 1.772 0.131 0.881 1.000 0.833 CB 1.047 7 residues pruned to eliminate duplicates Z: 6 3.364 1.697 -0.066 0.438 0.800 0.400 CA 1.266 6 residues pruned to eliminate duplicates Z: 22 27.907 2.126 0.806 0.504 0.952 0.667 CB 1.660 22 residues pruned to eliminate duplicates Z: 10 7.602 1.808 0.440 0.584 1.000 0.778 CB 0.898 10 residues pruned to eliminate duplicates Z: 12 16.774 1.782 0.581 0.895 0.909 0.727 N 1.416 12 residues pruned to eliminate duplicates Z: 28 18.935 2.076 0.437 0.439 0.889 0.444 CB 1.464 28 residues pruned to eliminate duplicates Z: 22 17.582 1.996 0.623 0.510 0.857 0.524 CB 1.367 22 residues pruned to eliminate duplicates Z: 12 19.685 1.743 0.971 0.906 0.909 0.727 CA 1.351 12 residues pruned to eliminate duplicates Z: 22 11.880 2.012 0.238 0.381 0.952 0.619 CB 1.241 22 residues pruned to eliminate duplicates Z: 20 25.001 2.111 0.708 0.597 0.947 0.474 CB 1.531 20 residues pruned to eliminate duplicates Z: 18 12.392 2.052 0.589 0.274 0.765 0.529 CB 1.558 18 residues pruned to eliminate duplicates Z: 17 25.322 2.095 0.949 0.639 0.875 0.688 CB 1.555 17 residues pruned to eliminate duplicates Z: 20 19.632 2.059 0.543 0.534 0.947 0.579 CB 1.447 20 residues pruned to eliminate duplicates Z: 13 5.126 1.806 0.335 0.426 0.750 0.417 CB 0.884 13 residues pruned to eliminate duplicates Z: 32 16.883 1.991 0.581 0.353 0.839 0.581 CB 1.347 32 residues pruned to eliminate duplicates Z: 12 16.627 1.671 0.774 0.914 1.000 1.000 CA 1.196 12 residues pruned to eliminate duplicates Z: 88 43.975 2.122 0.697 0.526 0.874 0.460 CB 1.460 88 residues pruned to eliminate duplicates Z: 28 27.254 2.056 0.866 0.626 0.926 0.741 CB 1.312 28 residues pruned to eliminate duplicates Z: 7 8.224 1.807 0.277 0.839 0.833 0.667 CA 1.304 7 residues pruned to eliminate duplicates Z: 6 9.115 1.622 0.752 0.524 1.000 0.400 CB 1.401 6 residues pruned to eliminate duplicates Z: 14 18.017 2.013 0.633 0.616 0.923 0.769 CB 1.476 14 residues pruned to eliminate duplicates Z: 10 8.327 2.009 0.602 0.412 0.778 0.556 CA 1.217 10 residues pruned to eliminate duplicates Z: 8 4.330 1.374 0.342 0.664 1.000 0.714 CB 0.763 8 residues pruned to eliminate duplicates Z: 19 15.019 2.062 0.525 0.558 0.889 0.667 CB 1.197 19 residues pruned to eliminate duplicates Z: 7 13.239 2.139 0.280 0.885 1.000 1.000 CB 1.426 7 residues pruned to eliminate duplicates Z: 7 11.223 1.751 0.886 0.829 1.000 0.333 CA 1.044 7 residues pruned to eliminate duplicates Z: 7 7.484 1.738 0.352 0.715 0.833 0.667 CB 1.285 7 residues pruned to eliminate duplicates Z: 36 25.187 2.069 0.605 0.447 0.857 0.429 CB 1.579 36 residues pruned to eliminate duplicates Z: 11 5.637 1.655 0.519 0.395 0.600 0.500 CB 1.319 11 residues pruned to eliminate duplicates Z: 15 15.183 2.188 0.563 0.471 0.929 0.786 CB 1.316 15 residues pruned to eliminate duplicates Z: 7 24.753 2.302 0.866 0.910 1.000 1.000 CB 1.669 7 residues pruned to eliminate duplicates Z: 107 52.327 2.187 0.758 0.498 0.925 0.528 CB 1.433 107 residues pruned to eliminate duplicates Z: 6 8.269 1.736 0.306 0.732 1.000 1.000 CB 1.323 6 residues pruned to eliminate duplicates Z: 76 42.000 2.095 0.702 0.508 0.907 0.600 CB 1.488 76 residues pruned to eliminate duplicates Z: 13 24.235 2.315 1.129 0.454 0.833 0.667 CB 1.785 13 residues pruned to eliminate duplicates Z: 6 5.429 1.657 0.640 0.758 1.000 0.800 CB 0.710 6 residues pruned to eliminate duplicates Z: 7 9.492 1.821 0.438 0.861 1.000 0.667 CA 1.088 7 residues pruned to eliminate duplicates Z: 6 2.533 1.492 0.369 0.442 0.600 0.400 CA 0.982 6 residues pruned to eliminate duplicates Z: 31 20.074 2.139 0.406 0.467 0.800 0.367 CB 1.575 31 residues pruned to eliminate duplicates Z: 6 9.044 1.983 0.383 0.675 0.800 0.800 CA 1.569 6 residues pruned to eliminate duplicates Z: 29 19.950 2.035 0.593 0.447 0.786 0.393 CB 1.563 29 residues pruned to eliminate duplicates Z: 23 17.017 1.996 0.612 0.432 0.864 0.500 CB 1.400 23 residues pruned to eliminate duplicates Z: 24 18.339 2.025 0.569 0.505 0.957 0.565 CB 1.252 24 residues pruned to eliminate duplicates Z: 7 2.047 1.486 -0.031 0.475 1.000 0.667 N 0.595 7 residues pruned to eliminate duplicates Z: 66 34.361 2.141 0.656 0.463 0.892 0.477 CB 1.400 66 residues pruned to eliminate duplicates Z: 54 36.541 2.137 0.791 0.447 0.906 0.585 CB 1.529 54 residues pruned to eliminate duplicates Z: 7 9.115 1.868 0.562 0.882 1.000 0.667 CB 0.923 7 residues pruned to eliminate duplicates Z: 6 5.775 1.661 0.422 0.605 0.800 0.600 CB 1.237 6 residues pruned to eliminate duplicates Z: 21 28.863 2.115 0.793 0.600 0.950 0.550 CA 1.629 21 residues pruned to eliminate duplicates Z: 9 11.828 1.818 0.713 0.606 0.875 0.625 CA 1.388 9 residues pruned to eliminate duplicates Z: 8 10.408 2.067 0.013 0.878 1.000 1.000 CA 1.363 8 residues pruned to eliminate duplicates Z: 17 14.742 1.959 1.142 0.392 0.750 0.500 CB 1.313 17 residues pruned to eliminate duplicates Z: 66 38.267 2.149 0.694 0.508 0.877 0.569 CB 1.475 66 residues pruned to eliminate duplicates Z: 20 11.865 2.021 0.322 0.533 0.895 0.526 CB 1.103 20 residues pruned to eliminate duplicates Z: 55 33.128 2.075 0.703 0.529 0.907 0.500 CB 1.366 55 residues pruned to eliminate duplicates Z: 26 21.201 2.087 0.642 0.506 0.920 0.440 CB 1.338 26 residues pruned to eliminate duplicates Z: 54 34.095 2.007 0.766 0.542 0.906 0.585 CB 1.400 54 residues pruned to eliminate duplicates Z: 15 17.490 2.280 0.594 0.428 0.929 0.714 CB 1.492 15 residues pruned to eliminate duplicates Z: 16 16.148 2.126 0.717 0.487 0.867 0.533 CB 1.334 16 residues pruned to eliminate duplicates Z: 12 12.917 1.959 0.424 0.412 1.000 0.818 CA 1.531 12 residues pruned to eliminate duplicates Z: 8 13.642 2.001 0.629 0.616 1.000 0.571 C 1.418 8 residues pruned to eliminate duplicates Z: 35 31.458 2.111 0.814 0.567 0.912 0.676 CB 1.448 35 residues pruned to eliminate duplicates Z: 9 4.801 1.661 0.313 0.275 0.875 0.625 CB 1.147 9 residues pruned to eliminate duplicates Z: 8 4.607 1.664 0.485 0.306 0.714 0.429 CB 1.224 8 residues pruned to eliminate duplicates Z: 13 19.705 2.072 0.989 0.575 0.917 0.667 CB 1.401 13 residues pruned to eliminate duplicates Z: 15 18.877 2.012 0.663 0.520 1.000 0.643 CB 1.478 15 residues pruned to eliminate duplicates Z: 26 23.766 2.125 0.903 0.449 0.760 0.560 CB 1.630 26 residues pruned to eliminate duplicates Z: 12 17.258 1.795 0.762 0.928 1.000 0.909 CA 1.152 12 residues pruned to eliminate duplicates Z: 11 19.216 1.750 0.801 0.907 1.000 0.600 CB 1.370 11 residues pruned to eliminate duplicates Z: 7 7.793 1.836 0.323 0.876 1.000 0.667 CB 0.952 7 residues pruned to eliminate duplicates Z: 30 25.488 2.085 0.746 0.440 0.931 0.724 CB 1.486 30 residues pruned to eliminate duplicates Z: 19 19.291 2.140 0.673 0.599 0.944 0.667 CB 1.224 19 residues pruned to eliminate duplicates Z: 54 31.532 2.175 0.642 0.454 0.906 0.396 CB 1.405 54 residues pruned to eliminate duplicates Z: 8 4.498 1.270 0.604 0.515 1.000 0.714 CB 0.823 7 residues pruned to eliminate duplicates Z: 10 15.637 1.747 0.672 0.885 1.000 0.889 CA 1.289 10 residues pruned to eliminate duplicates Z: 20 25.990 2.106 0.743 0.592 0.947 0.579 CA 1.570 20 residues pruned to eliminate duplicates Z: 57 35.434 2.163 0.720 0.497 0.893 0.589 CB 1.431 57 residues pruned to eliminate duplicates Z: 20 22.543 2.156 0.667 0.531 1.000 0.368 CB 1.395 20 residues pruned to eliminate duplicates Z: 6 3.128 1.220 0.368 0.497 0.800 0.600 CB 1.050 6 residues pruned to eliminate duplicates Z: 46 28.323 2.137 0.571 0.466 0.889 0.600 CB 1.465 46 residues pruned to eliminate duplicates Z: 56 39.947 2.189 0.787 0.496 0.945 0.582 CB 1.462 56 residues pruned to eliminate duplicates Z: 9 8.206 1.796 0.452 0.570 0.875 0.500 CA 1.188 9 residues pruned to eliminate duplicates Z: 17 19.315 2.049 0.631 0.604 0.875 0.562 CA 1.495 17 residues pruned to eliminate duplicates Z: 20 11.689 1.908 0.582 0.369 0.789 0.526 CB 1.295 20 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 19 21.260 2.080 0.682 0.483 0.944 0.556 CA 1.542 19 residues pruned to eliminate duplicates Z: 18 26.383 2.168 0.718 0.627 0.941 0.588 CA 1.619 18 residues pruned to eliminate duplicates Z: 22 25.600 1.996 0.859 0.548 0.952 0.476 CB 1.509 20 residues pruned to eliminate duplicates Z: 6 2.259 1.690 0.614 0.237 0.600 0.400 CA 0.838 6 residues pruned to eliminate duplicates Z: 19 21.500 2.122 0.705 0.434 0.944 0.389 CA 1.587 19 residues pruned to eliminate duplicates Z: 20 26.354 2.152 0.567 0.620 1.000 0.579 CB 1.601 20 residues pruned to eliminate duplicates Z: 19 18.800 2.048 0.707 0.489 0.889 0.444 CA 1.443 19 residues pruned to eliminate duplicates Z: 20 23.826 2.112 0.672 0.541 0.947 0.474 CB 1.569 20 residues pruned to eliminate duplicates Z: 20 26.386 2.113 0.704 0.567 0.947 0.579 CB 1.664 21 residues pruned to eliminate duplicates Z: 7 7.231 1.984 0.440 0.238 1.000 0.167 CA 1.400 7 residues pruned to eliminate duplicates Z: 20 24.007 2.119 0.654 0.581 0.947 0.474 CA 1.534 20 residues pruned to eliminate duplicates Z: 21 21.602 2.077 0.632 0.504 0.900 0.450 CA 1.578 21 residues pruned to eliminate duplicates Z: 6 3.503 1.434 0.449 0.436 0.800 0.400 CA 1.007 6 residues pruned to eliminate duplicates Z: 23 27.615 2.159 0.803 0.483 0.909 0.500 CB 1.693 23 residues pruned to eliminate duplicates Z: 21 25.529 2.080 0.758 0.557 0.950 0.550 CB 1.555 21 residues pruned to eliminate duplicates Z: 6 7.452 2.003 0.406 0.436 1.000 0.800 CB 1.264 6 residues pruned to eliminate duplicates Z: 28 22.855 1.996 0.654 0.518 0.889 0.630 CB 1.472 28 residues pruned to eliminate duplicates Z: 36 36.341 2.208 0.738 0.610 0.914 0.686 CB 1.577 36 residues pruned to eliminate duplicates Z: 21 24.255 2.218 0.792 0.573 0.850 0.700 CB 1.496 21 residues pruned to eliminate duplicates Z: 19 28.865 2.280 0.729 0.645 0.944 0.778 CB 1.596 19 residues pruned to eliminate duplicates Z: 18 29.657 2.275 0.855 0.641 0.941 0.706 CB 1.586 18 residues pruned to eliminate duplicates Z: 20 26.906 2.209 0.858 0.570 0.947 0.684 CB 1.484 20 residues pruned to eliminate duplicates Z: 17 24.275 2.261 0.801 0.591 0.938 0.812 CB 1.457 17 residues pruned to eliminate duplicates Z: 20 24.004 2.215 0.744 0.574 0.895 0.789 CB 1.483 20 residues pruned to eliminate duplicates Z: 20 27.535 2.236 0.862 0.626 0.947 0.737 CB 1.422 20 residues pruned to eliminate duplicates Z: 20 26.555 2.235 0.801 0.597 0.947 0.842 CB 1.456 20 residues pruned to eliminate duplicates Z: 24 20.205 2.073 0.587 0.559 0.826 0.652 CB 1.464 24 residues pruned to eliminate duplicates Z: 20 25.228 2.206 0.786 0.557 0.947 0.737 CB 1.467 20 residues pruned to eliminate duplicates Z: 30 28.271 2.201 0.843 0.523 0.862 0.655 CB 1.467 30 residues pruned to eliminate duplicates Z: 49 28.891 2.109 0.624 0.447 0.896 0.542 CB 1.434 49 residues pruned to eliminate duplicates Z: 111 49.841 2.116 0.636 0.508 0.900 0.555 CB 1.513 111 residues pruned to eliminate duplicates Z: 45 34.527 2.228 0.719 0.497 0.909 0.636 CB 1.499 45 residues pruned to eliminate duplicates Z: 40 23.391 2.102 0.556 0.422 0.872 0.436 CB 1.424 40 residues pruned to eliminate duplicates Z: 50 39.193 2.162 0.766 0.533 0.939 0.551 CB 1.512 51 residues pruned to eliminate duplicates Z: 7 4.983 1.683 0.198 0.517 0.833 0.500 CB 1.191 7 residues pruned to eliminate duplicates Z: 41 23.281 2.057 0.569 0.480 0.925 0.650 CB 1.258 41 residues pruned to eliminate duplicates Z: 19 18.669 2.147 0.626 0.479 0.944 0.667 CB 1.364 19 residues pruned to eliminate duplicates Z: 56 28.707 2.084 0.606 0.421 0.855 0.473 CB 1.469 56 residues pruned to eliminate duplicates Z: 20 15.830 2.013 0.711 0.449 0.947 0.526 CB 1.172 20 residues pruned to eliminate duplicates Z: 57 31.534 2.108 0.560 0.457 0.875 0.500 CB 1.529 57 residues pruned to eliminate duplicates Z: 28 24.344 2.096 0.647 0.430 0.926 0.667 CB 1.576 28 residues pruned to eliminate duplicates Z: 79 38.767 2.104 0.614 0.491 0.885 0.590 CB 1.474 79 residues pruned to eliminate duplicates Z: 38 26.201 2.075 0.713 0.426 0.919 0.595 CB 1.424 38 residues pruned to eliminate duplicates Z: 23 23.633 2.071 0.948 0.459 0.909 0.591 CB 1.433 23 residues pruned to eliminate duplicates Z: 40 29.234 2.156 0.685 0.474 0.897 0.538 CB 1.474 40 residues pruned to eliminate duplicates Z: 55 37.376 2.184 0.638 0.446 0.907 0.444 CB 1.656 55 residues pruned to eliminate duplicates Z: 39 30.440 2.122 0.715 0.488 0.921 0.711 CB 1.491 39 residues pruned to eliminate duplicates Z: 62 32.830 2.138 0.596 0.435 0.869 0.557 CB 1.516 62 residues pruned to eliminate duplicates Z: 58 36.978 2.150 0.686 0.513 0.912 0.684 CB 1.462 58 residues pruned to eliminate duplicates Z: 51 31.350 2.119 0.678 0.479 0.900 0.600 CB 1.415 51 residues pruned to eliminate duplicates Z: 79 37.131 2.102 0.585 0.502 0.846 0.487 CB 1.489 79 residues pruned to eliminate duplicates Z: 23 24.436 2.072 0.622 0.484 1.000 0.636 CB 1.575 23 residues pruned to eliminate duplicates Z: 95 40.534 2.138 0.661 0.444 0.862 0.532 CB 1.447 95 residues pruned to eliminate duplicates Z: 50 31.204 2.165 0.581 0.470 0.898 0.531 CB 1.495 50 residues pruned to eliminate duplicates Z: 28 23.028 2.110 0.694 0.498 0.926 0.741 CB 1.342 28 residues pruned to eliminate duplicates Z: 76 43.482 2.097 0.655 0.518 0.920 0.547 CB 1.545 76 residues pruned to eliminate duplicates Z: 50 30.350 2.160 0.541 0.462 0.857 0.592 CB 1.580 50 residues pruned to eliminate duplicates Z: 75 36.934 2.143 0.650 0.462 0.865 0.635 CB 1.460 75 residues pruned to eliminate duplicates Z: 47 27.924 2.158 0.555 0.465 0.826 0.522 CB 1.539 47 residues pruned to eliminate duplicates Z: 74 41.027 2.126 0.609 0.529 0.904 0.575 CB 1.509 74 residues pruned to eliminate duplicates Z: 38 20.453 2.084 0.525 0.393 0.811 0.514 CB 1.461 38 residues pruned to eliminate duplicates Z: 41 27.160 2.151 0.560 0.445 0.925 0.675 CB 1.463 41 residues pruned to eliminate duplicates Z: 74 41.460 2.117 0.637 0.519 0.904 0.534 CB 1.519 74 residues pruned to eliminate duplicates Z: 37 30.944 2.101 0.766 0.462 0.972 0.583 CB 1.486 37 residues pruned to eliminate duplicates Z: 28 18.941 2.110 0.484 0.462 0.815 0.407 CB 1.486 28 residues pruned to eliminate duplicates Z: 83 44.741 2.136 0.804 0.515 0.902 0.622 CB 1.400 83 residues pruned to eliminate duplicates Z: 59 36.801 2.172 0.706 0.452 0.914 0.586 CB 1.500 59 residues pruned to eliminate duplicates Z: 77 40.851 2.101 0.680 0.506 0.882 0.579 CB 1.498 77 residues pruned to eliminate duplicates Z: 59 31.621 2.091 0.575 0.422 0.879 0.534 CB 1.555 59 residues pruned to eliminate duplicates Z: 32 25.188 2.134 0.710 0.456 0.839 0.387 CB 1.546 32 residues pruned to eliminate duplicates Z: 44 30.619 2.163 0.552 0.488 0.884 0.535 CB 1.593 44 residues pruned to eliminate duplicates Z: 76 38.977 2.108 0.585 0.493 0.907 0.560 CB 1.496 76 residues pruned to eliminate duplicates Z: 75 46.174 2.110 0.730 0.517 0.946 0.527 CB 1.528 74 residues pruned to eliminate duplicates Z: 8 19.220 2.039 0.554 0.900 1.000 0.714 C 1.638 8 residues pruned to eliminate duplicates Z: 53 33.120 2.092 0.624 0.542 0.885 0.519 CB 1.466 53 residues pruned to eliminate duplicates Z: 54 30.182 2.052 0.544 0.516 0.868 0.491 CB 1.483 54 residues pruned to eliminate duplicates Z: 73 41.449 2.135 0.586 0.526 0.917 0.625 CB 1.534 73 residues pruned to eliminate duplicates Z: 58 31.179 2.122 0.554 0.453 0.895 0.544 CB 1.468 58 residues pruned to eliminate duplicates Z: 73 37.600 2.142 0.585 0.468 0.917 0.569 CB 1.471 73 residues pruned to eliminate duplicates Z: 36 22.288 2.087 0.624 0.403 0.829 0.400 CB 1.486 36 residues pruned to eliminate duplicates Z: 51 28.116 2.068 0.538 0.449 0.900 0.460 CB 1.464 51 residues pruned to eliminate duplicates Z: 72 36.391 2.012 0.697 0.504 0.887 0.549 CB 1.419 72 residues pruned to eliminate duplicates Z: 51 31.430 2.086 0.591 0.454 0.920 0.500 CB 1.526 51 residues pruned to eliminate duplicates Z: 62 32.315 2.103 0.550 0.422 0.902 0.459 CB 1.526 62 residues pruned to eliminate duplicates Z: 80 40.972 2.045 0.672 0.497 0.886 0.532 CB 1.526 79 residues pruned to eliminate duplicates Z: 8 6.867 1.605 0.469 0.470 1.000 0.857 CB 1.135 8 residues pruned to eliminate duplicates Z: 53 34.897 2.079 0.702 0.531 0.885 0.481 CB 1.499 55 residues pruned to eliminate duplicates Z: 12 7.238 1.640 0.065 0.705 0.909 0.455 CA 1.140 12 residues pruned to eliminate duplicates Z: 74 45.433 2.113 0.719 0.512 0.945 0.534 CB 1.531 74 residues pruned to eliminate duplicates Z: 76 42.563 2.070 0.710 0.525 0.907 0.573 CB 1.493 76 residues pruned to eliminate duplicates Z: 31 26.818 1.966 0.723 0.578 0.967 0.600 CB 1.388 31 residues pruned to eliminate duplicates Z: 30 21.431 2.007 0.558 0.540 0.897 0.517 CB 1.365 30 residues pruned to eliminate duplicates Z: 97 41.518 2.079 0.629 0.475 0.885 0.479 CB 1.450 151 residues pruned to eliminate duplicates Z: 8 11.802 1.887 0.507 0.906 1.000 0.571 CB 1.116 8 residues pruned to eliminate duplicates Z: 110 53.784 2.119 0.783 0.530 0.917 0.587 CB 1.444 110 residues pruned to eliminate duplicates Z: 30 29.984 2.022 0.792 0.578 0.966 0.655 CB 1.476 30 residues pruned to eliminate duplicates Z: 52 35.247 2.090 0.585 0.534 0.961 0.549 CB 1.499 52 residues pruned to eliminate duplicates Z: 30 27.372 2.040 0.684 0.571 0.966 0.690 CB 1.431 30 residues pruned to eliminate duplicates Z: 55 32.396 2.061 0.631 0.528 0.889 0.574 CB 1.436 55 residues pruned to eliminate duplicates Z: 53 36.567 2.062 0.757 0.533 0.942 0.481 CB 1.438 53 residues pruned to eliminate duplicates Z: 52 38.271 2.115 0.736 0.548 0.922 0.569 CB 1.512 52 residues pruned to eliminate duplicates Z: 53 37.294 2.079 0.693 0.548 0.942 0.577 CB 1.488 53 residues pruned to eliminate duplicates Z: 74 41.534 2.104 0.683 0.506 0.918 0.575 CB 1.486 74 residues pruned to eliminate duplicates Z: 55 33.111 2.043 0.636 0.515 0.926 0.574 CB 1.435 55 residues pruned to eliminate duplicates Z: 78 42.255 2.096 0.696 0.524 0.909 0.610 CB 1.455 78 residues pruned to eliminate duplicates Z: 28 28.562 1.960 0.839 0.640 0.926 0.556 CB 1.445 28 residues pruned to eliminate duplicates Z: 28 22.241 2.126 0.601 0.501 0.889 0.519 CB 1.414 Z: 6 7.159 2.028 0.253 0.479 0.800 0.400 CA 1.609 6 residues pruned to eliminate duplicates Z: 21 20.054 2.094 0.547 0.592 0.900 0.550 CB 1.409 21 residues pruned to eliminate duplicates Z: 18 23.912 2.264 0.602 0.639 1.000 0.765 CB 1.404 20 residues pruned to eliminate duplicates Z: 7 7.557 1.859 0.496 0.517 1.000 1.000 CB 1.091 7 residues pruned to eliminate duplicates Z: 65 39.519 2.198 0.692 0.526 0.891 0.656 CB 1.453 91 residues pruned to eliminate duplicates Z: 76 44.855 2.215 0.692 0.525 0.920 0.613 CB 1.466 76 residues pruned to eliminate duplicates Z: 15 27.169 2.314 0.854 0.596 0.929 0.786 CB 1.664 Z: 11 21.122 2.039 0.931 0.719 0.900 0.600 CB 1.547 12 residues pruned to eliminate duplicates Z: 9 19.240 2.107 0.602 0.675 1.000 0.875 C 1.715 9 residues pruned to eliminate duplicates Z: 29 30.364 2.305 0.611 0.532 0.929 0.714 CB 1.614 14 residues pruned to eliminate duplicates Z: 7 12.442 2.207 0.236 0.831 1.000 0.833 CB 1.399 7 residues pruned to eliminate duplicates Z: 61 37.672 2.221 0.661 0.484 0.900 0.600 CB 1.489 90 residues pruned to eliminate duplicates Z: 74 44.458 2.222 0.703 0.501 0.918 0.644 CB 1.498 74 residues pruned to eliminate duplicates Z: 76 44.097 2.218 0.754 0.495 0.880 0.573 CB 1.495 76 residues pruned to eliminate duplicates Z: 33 29.597 2.218 0.674 0.514 0.875 0.656 CB 1.589 Z: 10 11.353 2.096 0.536 0.735 0.778 0.556 CB 1.224 10 residues pruned to eliminate duplicates Z: 56 38.865 2.226 0.727 0.484 0.891 0.582 CB 1.555 89 residues pruned to eliminate duplicates Z: 40 28.709 2.110 0.808 0.472 0.872 0.641 CB 1.422 40 residues pruned to eliminate duplicates Z: 52 37.687 2.228 0.761 0.521 0.863 0.588 CB 1.526 52 residues pruned to eliminate duplicates Z: 93 48.325 2.131 0.775 0.515 0.913 0.543 CB 1.437 94 residues pruned to eliminate duplicates Z: 6 5.738 1.699 0.520 0.414 1.000 1.000 CA 1.088 Z: 6 2.460 1.305 0.223 0.304 0.800 0.600 C 1.072 Z: 6 5.157 1.637 0.139 0.473 1.000 0.200 C 1.272 5 residues pruned to eliminate duplicates Z: 6 7.309 1.963 0.503 0.309 1.000 0.600 CA 1.370 6 residues pruned to eliminate duplicates Z: 49 32.590 2.184 0.722 0.450 0.917 0.458 CB 1.436 49 residues pruned to eliminate duplicates Z: 53 32.524 2.180 0.698 0.461 0.885 0.500 CB 1.433 53 residues pruned to eliminate duplicates Z: 61 33.059 2.170 0.763 0.437 0.867 0.533 CB 1.374 61 residues pruned to eliminate duplicates Z: 78 44.602 2.166 0.776 0.504 0.909 0.532 CB 1.447 78 residues pruned to eliminate duplicates Z: 57 34.001 2.143 0.716 0.433 0.929 0.500 CB 1.425 57 residues pruned to eliminate duplicates Z: 42 35.097 2.228 0.657 0.514 0.976 0.488 CB 1.501 42 residues pruned to eliminate duplicates Z: 22 20.554 2.151 0.639 0.467 0.905 0.619 CB 1.454 22 residues pruned to eliminate duplicates Z: 28 26.172 2.122 0.854 0.511 0.889 0.704 CB 1.423 28 residues pruned to eliminate duplicates Z: 27 20.635 2.073 0.724 0.419 0.885 0.577 CB 1.393 27 residues pruned to eliminate duplicates Z: 23 22.343 2.202 0.693 0.429 0.909 0.591 CB 1.513 23 residues pruned to eliminate duplicates Z: 13 13.911 2.017 0.709 0.445 0.833 0.583 CB 1.480 13 residues pruned to eliminate duplicates Z: 47 36.803 2.234 0.741 0.494 0.935 0.565 CB 1.501 47 residues pruned to eliminate duplicates Z: 68 36.559 2.110 0.585 0.523 0.925 0.493 CB 1.410 68 residues pruned to eliminate duplicates Z: 30 28.876 2.204 0.788 0.474 0.931 0.621 CB 1.500 30 residues pruned to eliminate duplicates Z: 55 33.258 2.153 0.804 0.446 0.907 0.574 CB 1.358 55 residues pruned to eliminate duplicates Z: 39 25.784 2.166 0.590 0.455 0.895 0.447 CB 1.422 39 residues pruned to eliminate duplicates Z: 111 47.352 2.144 0.672 0.455 0.900 0.491 CB 1.466 111 residues pruned to eliminate duplicates Z: 65 37.274 2.137 0.623 0.538 0.922 0.531 CB 1.405 65 residues pruned to eliminate duplicates Z: 33 22.644 2.136 0.659 0.445 0.844 0.312 CB 1.417 33 residues pruned to eliminate duplicates Z: 79 43.807 2.144 0.716 0.517 0.936 0.538 CB 1.416 79 residues pruned to eliminate duplicates Z: 52 30.789 2.191 0.723 0.438 0.863 0.490 CB 1.412 52 residues pruned to eliminate duplicates Z: 27 19.221 2.087 0.636 0.448 0.885 0.423 CB 1.316 27 residues pruned to eliminate duplicates Z: 49 34.331 2.202 0.755 0.480 0.896 0.562 CB 1.460 49 residues pruned to eliminate duplicates Z: 49 34.242 2.178 0.704 0.484 0.917 0.521 CB 1.477 56 residues pruned to eliminate duplicates Z: 95 52.977 2.230 0.773 0.507 0.926 0.606 CB 1.483 95 residues pruned to eliminate duplicates Z: 47 41.773 2.257 0.855 0.498 0.957 0.565 CB 1.542 47 residues pruned to eliminate duplicates Z: 49 36.907 2.196 0.833 0.465 0.917 0.500 CB 1.496 49 residues pruned to eliminate duplicates Z: 31 29.710 2.138 0.808 0.493 0.967 0.467 CB 1.462 31 residues pruned to eliminate duplicates Z: 43 37.595 2.231 0.850 0.486 0.952 0.452 CB 1.497 43 residues pruned to eliminate duplicates Z: 65 39.747 2.129 0.644 0.530 0.938 0.500 CB 1.470 65 residues pruned to eliminate duplicates Z: 78 44.227 2.154 0.754 0.494 0.922 0.468 CB 1.455 78 residues pruned to eliminate duplicates Z: 53 31.910 2.185 0.684 0.451 0.865 0.481 CB 1.462 53 residues pruned to eliminate duplicates Z: 35 26.797 2.179 0.685 0.468 0.912 0.412 CB 1.419 35 residues pruned to eliminate duplicates Z: 91 50.087 2.130 0.818 0.515 0.944 0.478 CB 1.422 91 residues pruned to eliminate duplicates Z: 127 55.182 2.165 0.707 0.521 0.929 0.556 CB 1.403 127 residues pruned to eliminate duplicates Z: 56 30.676 2.146 0.638 0.444 0.891 0.455 CB 1.399 56 residues pruned to eliminate duplicates Z: 78 43.640 2.148 0.807 0.502 0.896 0.584 CB 1.427 78 residues pruned to eliminate duplicates Z: 32 22.008 1.973 0.516 0.594 0.903 0.516 CB 1.338 32 residues pruned to eliminate duplicates Z: 30 29.612 2.055 0.867 0.608 0.931 0.586 CB 1.389 30 residues pruned to eliminate duplicates Z: 30 26.493 2.034 0.803 0.605 0.897 0.552 CB 1.354 30 residues pruned to eliminate duplicates Z: 78 44.813 2.147 0.778 0.502 0.935 0.506 CB 1.428 78 residues pruned to eliminate duplicates Z: 6 6.604 1.481 0.830 0.377 1.000 0.600 O 1.243 6 residues pruned to eliminate duplicates Z: 88 48.696 2.150 0.821 0.530 0.908 0.529 CB 1.426 88 residues pruned to eliminate duplicates Z: 19 18.996 2.115 0.744 0.497 0.944 0.556 CB 1.290 19 residues pruned to eliminate duplicates Z: 53 34.640 2.088 0.749 0.537 0.923 0.500 CB 1.374 53 residues pruned to eliminate duplicates Z: 26 27.468 2.051 0.786 0.677 0.960 0.640 CB 1.327 26 residues pruned to eliminate duplicates Z: 25 28.820 1.982 0.962 0.623 0.958 0.750 CB 1.406 25 residues pruned to eliminate duplicates Z: 31 24.141 2.011 0.744 0.543 0.933 0.533 CB 1.290 31 residues pruned to eliminate duplicates Z: 74 41.630 2.131 0.739 0.512 0.945 0.452 CB 1.374 74 residues pruned to eliminate duplicates Z: 30 27.671 2.048 0.745 0.630 0.966 0.586 CB 1.318 30 residues pruned to eliminate duplicates Z: 63 39.513 2.124 0.769 0.523 0.935 0.565 CB 1.396 63 residues pruned to eliminate duplicates Z: 30 28.014 1.996 0.860 0.581 1.000 0.655 CB 1.296 30 residues pruned to eliminate duplicates Z: 31 23.388 2.009 0.746 0.590 0.900 0.700 CB 1.241 31 residues pruned to eliminate duplicates Z: 66 42.411 2.146 0.822 0.509 0.923 0.538 CB 1.444 66 residues pruned to eliminate duplicates Z: 24 26.519 2.013 0.797 0.647 1.000 0.696 CB 1.332 24 residues pruned to eliminate duplicates Z: 47 35.711 2.057 0.791 0.552 0.935 0.565 CB 1.453 47 residues pruned to eliminate duplicates Z: 32 26.882 1.988 0.719 0.584 0.968 0.581 CB 1.347 32 residues pruned to eliminate duplicates Z: 75 48.396 2.132 0.908 0.529 0.946 0.595 CB 1.421 75 residues pruned to eliminate duplicates Z: 25 26.287 2.000 0.873 0.654 1.000 0.625 CB 1.241 25 residues pruned to eliminate duplicates Z: 31 28.321 2.010 0.856 0.598 0.967 0.600 CB 1.306 30 residues pruned to eliminate duplicates Z: 11 25.898 1.761 1.169 0.935 1.000 0.500 CB 1.495 12 residues pruned to eliminate duplicates Z: 11 26.232 1.743 1.315 0.903 1.000 0.800 CB 1.466 11 residues pruned to eliminate duplicates 210 residues left after pruning, divided into chains as follows: A: 8 B: 6 C: 196 CC for partial structure against native data = 47.28 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.359, Connect. = 0.689 for dens.mod. cycle 1 = 0.300, Contrast = 0.422, Connect. = 0.728 for dens.mod. cycle 2 = 0.300, Contrast = 0.499, Connect. = 0.766 for dens.mod. cycle 3 = 0.300, Contrast = 0.501, Connect. = 0.769 for dens.mod. cycle 4 = 0.300, Contrast = 0.510, Connect. = 0.772 for dens.mod. cycle 5 = 0.300, Contrast = 0.511, Connect. = 0.773 for dens.mod. cycle 6 = 0.300, Contrast = 0.516, Connect. = 0.774 for dens.mod. cycle 7 = 0.300, Contrast = 0.518, Connect. = 0.775 for dens.mod. cycle 8 = 0.300, Contrast = 0.521, Connect. = 0.775 for dens.mod. cycle 9 = 0.300, Contrast = 0.523, Connect. = 0.776 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1896 peaks > 0.5 sigma used to seed fragment search Space for about 269 unique residues taking solvent into account 360 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 26.275 2.208 0.670 0.497 0.905 0.667 CB 1.724 B: 18 19.775 2.100 0.681 0.629 0.941 0.824 CB 1.279 C: 58 33.720 2.204 0.659 0.505 0.895 0.684 CB 1.359 22 residues pruned to eliminate duplicates D: 21 30.287 2.270 0.774 0.465 1.000 0.550 CB 1.743 E: 56 29.231 2.161 0.618 0.483 0.873 0.618 CB 1.314 56 residues pruned to eliminate duplicates F: 23 21.603 2.082 0.864 0.454 0.909 0.500 CB 1.368 17 residues pruned to eliminate duplicates G: 51 33.066 2.229 0.673 0.458 0.880 0.500 CB 1.487 25 residues pruned to eliminate duplicates H: 10 15.726 1.827 0.565 0.871 1.000 1.000 CB 1.338 I: 70 36.821 2.119 0.598 0.518 0.913 0.551 CB 1.408 54 residues pruned to eliminate duplicates J: 12 12.294 2.065 0.648 0.454 0.818 0.636 CB 1.396 12 residues pruned to eliminate duplicates K: 11 21.900 2.234 1.017 0.478 1.000 0.600 CB 1.572 11 residues pruned to eliminate duplicates L: 24 25.540 2.145 0.743 0.493 0.913 0.696 CB 1.571 24 residues pruned to eliminate duplicates M: 50 37.698 2.207 0.706 0.491 0.939 0.531 CB 1.538 53 residues pruned to eliminate duplicates N: 11 19.024 1.835 0.685 0.874 1.000 0.700 CA 1.416 O: 30 24.436 2.073 0.669 0.452 0.931 0.655 CB 1.481 30 residues pruned to eliminate duplicates P: 12 15.391 1.639 0.624 0.884 1.000 0.818 CA 1.260 11 residues pruned to eliminate duplicates Q: 59 36.194 2.228 0.625 0.426 0.897 0.534 CB 1.581 24 residues pruned to eliminate duplicates R: 65 41.198 2.150 0.639 0.543 0.875 0.547 CB 1.600 59 residues pruned to eliminate duplicates S: 33 21.434 1.979 0.751 0.533 0.875 0.594 CB 1.210 22 residues pruned to eliminate duplicates T: 27 24.506 2.187 0.711 0.501 0.923 0.615 CB 1.390 27 residues pruned to eliminate duplicates U: 22 20.906 2.133 0.636 0.455 0.905 0.571 CB 1.512 22 residues pruned to eliminate duplicates V: 58 29.809 2.119 0.582 0.463 0.912 0.526 CB 1.340 58 residues pruned to eliminate duplicates W: 10 12.352 2.166 0.971 0.401 0.889 0.556 CB 1.204 9 residues pruned to eliminate duplicates X: 22 27.989 2.215 0.870 0.485 0.952 0.667 CB 1.572 22 residues pruned to eliminate duplicates Y: 40 24.829 2.044 0.699 0.459 0.872 0.615 CB 1.370 40 residues pruned to eliminate duplicates Z: 17 23.696 2.147 0.889 0.631 0.938 0.688 CB 1.377 18 residues pruned to eliminate duplicates Z: 12 13.259 1.644 0.380 0.903 1.000 0.818 CA 1.256 12 residues pruned to eliminate duplicates Z: 61 37.240 2.198 0.692 0.449 0.867 0.517 CB 1.571 61 residues pruned to eliminate duplicates Z: 10 17.934 1.835 0.675 0.864 1.000 0.778 CA 1.425 10 residues pruned to eliminate duplicates Z: 44 26.875 1.994 0.824 0.438 0.884 0.512 CB 1.359 44 residues pruned to eliminate duplicates Z: 30 21.937 2.062 0.871 0.412 0.828 0.552 CB 1.399 30 residues pruned to eliminate duplicates Z: 10 14.984 1.957 1.123 0.473 0.889 0.667 CB 1.390 10 residues pruned to eliminate duplicates Z: 6 5.770 2.088 -0.098 0.753 0.800 0.400 CB 1.366 6 residues pruned to eliminate duplicates Z: 61 38.737 2.241 0.615 0.527 0.883 0.483 CB 1.523 44 residues pruned to eliminate duplicates Z: 29 23.385 2.082 0.635 0.484 0.929 0.679 CB 1.421 29 residues pruned to eliminate duplicates Z: 33 21.147 2.141 0.569 0.419 0.812 0.375 CB 1.490 33 residues pruned to eliminate duplicates Z: 7 5.918 1.757 0.726 0.301 0.833 0.500 CB 1.193 7 residues pruned to eliminate duplicates Z: 50 31.137 2.212 0.696 0.425 0.857 0.367 CB 1.495 50 residues pruned to eliminate duplicates Z: 10 19.873 2.012 0.696 0.866 1.000 0.778 CA 1.422 10 residues pruned to eliminate duplicates Z: 8 9.355 1.787 0.106 0.879 1.000 1.000 CB 1.297 8 residues pruned to eliminate duplicates Z: 23 25.784 2.143 0.850 0.478 0.955 0.682 CB 1.485 23 residues pruned to eliminate duplicates Z: 8 12.340 2.090 0.288 0.912 1.000 1.000 CB 1.227 8 residues pruned to eliminate duplicates Z: 9 18.099 2.034 0.495 0.902 1.000 1.000 CA 1.501 9 residues pruned to eliminate duplicates Z: 53 33.469 2.019 0.668 0.563 0.904 0.442 CB 1.435 53 residues pruned to eliminate duplicates Z: 7 10.374 2.070 -0.066 0.909 1.000 1.000 CB 1.556 7 residues pruned to eliminate duplicates Z: 27 26.161 2.123 0.896 0.462 0.885 0.577 CB 1.497 27 residues pruned to eliminate duplicates Z: 9 11.174 1.844 0.248 0.859 1.000 0.625 CB 1.264 9 residues pruned to eliminate duplicates Z: 26 17.349 2.009 0.420 0.495 0.880 0.600 CB 1.390 26 residues pruned to eliminate duplicates Z: 7 8.907 1.907 0.257 0.795 0.833 0.500 CA 1.405 7 residues pruned to eliminate duplicates Z: 53 38.551 2.145 0.705 0.541 0.904 0.519 CB 1.553 53 residues pruned to eliminate duplicates Z: 8 17.571 2.124 0.357 0.847 1.000 0.571 CA 1.710 8 residues pruned to eliminate duplicates Z: 31 26.315 2.155 0.810 0.416 0.900 0.600 CB 1.494 31 residues pruned to eliminate duplicates Z: 6 10.048 2.016 0.202 0.828 1.000 0.600 CA 1.397 6 residues pruned to eliminate duplicates Z: 89 45.603 2.200 0.684 0.490 0.886 0.602 CB 1.495 89 residues pruned to eliminate duplicates Z: 29 26.240 1.965 0.690 0.591 0.929 0.571 CB 1.474 29 residues pruned to eliminate duplicates Z: 29 23.344 2.178 0.533 0.571 0.929 0.679 CB 1.329 29 residues pruned to eliminate duplicates Z: 12 24.348 2.232 1.265 0.487 0.909 0.545 CB 1.619 12 residues pruned to eliminate duplicates Z: 8 20.540 2.165 0.614 0.904 1.000 0.714 CA 1.582 8 residues pruned to eliminate duplicates Z: 11 14.821 1.677 0.610 0.868 1.000 0.800 CB 1.269 11 residues pruned to eliminate duplicates Z: 12 17.039 1.665 0.897 0.883 1.000 0.727 CB 1.176 12 residues pruned to eliminate duplicates Z: 16 19.463 2.035 0.808 0.610 0.933 0.800 CB 1.319 16 residues pruned to eliminate duplicates Z: 7 10.912 2.072 0.574 0.870 1.000 0.833 CB 0.997 7 residues pruned to eliminate duplicates Z: 12 6.758 1.783 0.570 0.455 0.818 0.545 CB 0.932 12 residues pruned to eliminate duplicates Z: 26 25.198 2.042 0.857 0.516 0.880 0.560 CB 1.486 26 residues pruned to eliminate duplicates Z: 54 33.682 2.124 0.653 0.533 0.849 0.491 CB 1.503 54 residues pruned to eliminate duplicates Z: 6 7.382 1.890 0.179 0.862 0.800 0.600 CA 1.360 6 residues pruned to eliminate duplicates Z: 10 14.093 1.993 0.738 0.503 0.889 0.667 CB 1.521 10 residues pruned to eliminate duplicates Z: 53 32.038 2.173 0.737 0.461 0.846 0.519 CB 1.447 53 residues pruned to eliminate duplicates Z: 52 40.024 2.180 0.729 0.540 0.902 0.490 CB 1.585 52 residues pruned to eliminate duplicates Z: 23 23.022 2.141 0.609 0.467 0.909 0.636 CB 1.621 23 residues pruned to eliminate duplicates Z: 75 49.651 2.198 0.747 0.523 0.932 0.622 CB 1.576 75 residues pruned to eliminate duplicates Z: 27 24.068 2.131 0.830 0.434 0.885 0.615 CB 1.466 27 residues pruned to eliminate duplicates Z: 7 10.630 2.008 0.555 0.819 0.833 0.333 CA 1.264 7 residues pruned to eliminate duplicates Z: 76 40.850 2.177 0.544 0.499 0.907 0.480 CB 1.548 76 residues pruned to eliminate duplicates Z: 20 22.142 2.098 0.581 0.584 0.947 0.632 CB 1.492 20 residues pruned to eliminate duplicates Z: 75 49.634 2.182 0.777 0.530 0.932 0.635 CB 1.550 75 residues pruned to eliminate duplicates Z: 8 12.343 2.176 0.543 0.753 0.714 0.571 CA 1.552 8 residues pruned to eliminate duplicates Z: 21 24.820 2.145 0.610 0.589 1.000 0.700 CB 1.475 21 residues pruned to eliminate duplicates Z: 78 45.749 2.188 0.758 0.510 0.922 0.532 CB 1.455 78 residues pruned to eliminate duplicates Z: 8 15.191 2.112 0.655 0.861 0.857 0.857 CA 1.408 8 residues pruned to eliminate duplicates Z: 9 8.344 1.778 0.236 0.862 0.875 0.625 CA 1.126 9 residues pruned to eliminate duplicates Z: 7 11.448 2.039 0.376 0.809 0.833 0.833 CB 1.527 7 residues pruned to eliminate duplicates Z: 8 13.194 1.818 0.458 0.795 1.000 0.857 C 1.453 8 residues pruned to eliminate duplicates Z: 11 12.028 1.728 0.337 0.900 1.000 0.900 CA 1.176 11 residues pruned to eliminate duplicates Z: 19 20.034 2.033 0.623 0.584 0.889 0.611 CA 1.485 19 residues pruned to eliminate duplicates Z: 16 12.841 1.901 0.480 0.525 0.800 0.733 CB 1.437 16 residues pruned to eliminate duplicates Z: 8 13.279 2.035 0.491 0.895 1.000 0.857 CB 1.186 8 residues pruned to eliminate duplicates Z: 39 28.880 2.008 0.820 0.565 0.895 0.526 CB 1.345 39 residues pruned to eliminate duplicates Z: 17 19.208 2.068 0.902 0.455 0.938 0.500 CB 1.364 17 residues pruned to eliminate duplicates Z: 30 20.156 2.208 0.479 0.470 0.793 0.483 CB 1.491 30 residues pruned to eliminate duplicates Z: 9 16.075 2.076 1.096 0.524 0.875 0.625 CB 1.458 9 residues pruned to eliminate duplicates Z: 56 33.988 2.087 0.577 0.527 0.891 0.455 CB 1.521 56 residues pruned to eliminate duplicates Z: 35 28.955 2.131 0.691 0.496 0.912 0.588 CB 1.518 35 residues pruned to eliminate duplicates Z: 8 12.902 1.886 0.380 0.851 1.000 0.714 CB 1.388 8 residues pruned to eliminate duplicates Z: 8 14.227 2.071 0.167 0.871 1.000 0.571 CA 1.624 8 residues pruned to eliminate duplicates Z: 8 11.659 2.063 0.139 0.890 1.000 0.857 CB 1.349 8 residues pruned to eliminate duplicates Z: 7 7.425 1.956 0.064 0.803 0.833 0.667 CA 1.342 7 residues pruned to eliminate duplicates Z: 32 19.978 1.968 0.634 0.587 0.903 0.742 CB 1.137 32 residues pruned to eliminate duplicates Z: 6 4.625 1.486 0.854 0.743 0.800 0.800 CB 0.755 6 residues pruned to eliminate duplicates Z: 11 14.292 1.995 0.400 0.733 1.000 0.800 CB 1.313 11 residues pruned to eliminate duplicates Z: 21 22.651 2.110 0.584 0.585 0.950 0.650 CB 1.470 21 residues pruned to eliminate duplicates Z: 13 16.004 1.671 0.886 0.818 1.000 0.750 CA 1.112 13 residues pruned to eliminate duplicates Z: 7 13.901 1.955 0.659 0.893 1.000 0.833 CB 1.257 7 residues pruned to eliminate duplicates Z: 6 16.085 2.132 0.569 0.875 1.000 0.800 CA 1.564 6 residues pruned to eliminate duplicates Z: 22 20.697 1.964 0.764 0.521 0.905 0.524 CB 1.411 22 residues pruned to eliminate duplicates Z: 6 8.523 2.021 0.408 0.872 1.000 0.800 CB 0.976 6 residues pruned to eliminate duplicates Z: 8 14.065 2.086 0.463 0.889 1.000 0.857 CB 1.254 8 residues pruned to eliminate duplicates Z: 19 13.025 1.966 0.474 0.571 0.833 0.611 CB 1.187 Z: 7 9.734 1.892 0.343 0.866 1.000 0.833 CB 1.145 7 residues pruned to eliminate duplicates Z: 22 22.206 2.046 0.820 0.581 0.952 0.619 CB 1.264 22 residues pruned to eliminate duplicates Z: 7 10.669 1.961 0.178 0.860 1.000 0.667 CA 1.387 7 residues pruned to eliminate duplicates Z: 8 7.869 1.981 -0.138 0.873 0.857 0.857 CA 1.480 8 residues pruned to eliminate duplicates Z: 13 9.878 1.769 0.674 0.671 0.833 0.750 CB 0.987 13 residues pruned to eliminate duplicates Z: 49 32.026 2.194 0.499 0.446 0.917 0.479 CB 1.621 49 residues pruned to eliminate duplicates Z: 48 36.927 2.257 0.695 0.435 0.936 0.553 CB 1.609 48 residues pruned to eliminate duplicates Z: 6 9.138 2.005 0.439 0.879 1.000 0.800 CB 1.028 6 residues pruned to eliminate duplicates Z: 9 7.698 1.711 0.780 0.723 0.625 0.375 CB 1.169 9 residues pruned to eliminate duplicates Z: 32 26.704 2.034 0.753 0.559 0.935 0.613 CB 1.358 32 residues pruned to eliminate duplicates Z: 35 24.328 2.120 0.599 0.568 0.912 0.765 CB 1.264 35 residues pruned to eliminate duplicates Z: 9 11.243 1.912 0.351 0.833 0.750 0.500 CA 1.539 9 residues pruned to eliminate duplicates Z: 18 34.069 2.291 0.968 0.587 1.000 0.765 CB 1.686 18 residues pruned to eliminate duplicates Z: 15 11.658 1.774 0.600 0.458 0.857 0.643 CB 1.337 15 residues pruned to eliminate duplicates Z: 7 9.959 1.932 0.223 0.861 1.000 0.833 CB 1.264 7 residues pruned to eliminate duplicates Z: 57 30.815 2.090 0.569 0.533 0.929 0.625 CB 1.309 57 residues pruned to eliminate duplicates Z: 62 33.651 2.158 0.583 0.476 0.885 0.623 CB 1.460 62 residues pruned to eliminate duplicates Z: 8 10.181 2.014 0.099 0.873 0.857 0.714 CA 1.477 8 residues pruned to eliminate duplicates Z: 6 6.505 1.947 0.659 0.565 0.800 0.400 CB 1.057 6 residues pruned to eliminate duplicates Z: 6 14.262 2.001 0.532 0.850 1.000 0.600 CA 1.542 6 residues pruned to eliminate duplicates Z: 6 6.370 1.948 0.082 0.830 0.800 0.600 CA 1.270 6 residues pruned to eliminate duplicates Z: 12 14.336 1.909 0.956 0.493 0.909 0.727 CB 1.282 13 residues pruned to eliminate duplicates Z: 77 45.817 2.210 0.733 0.525 0.882 0.513 CB 1.519 77 residues pruned to eliminate duplicates Z: 9 12.003 1.815 0.597 0.874 1.000 0.875 CB 1.065 9 residues pruned to eliminate duplicates Z: 11 20.920 2.077 0.994 0.483 1.000 0.700 CB 1.625 11 residues pruned to eliminate duplicates Z: 10 19.355 1.816 0.834 0.890 1.000 0.667 CB 1.394 10 residues pruned to eliminate duplicates Z: 6 6.283 1.799 0.742 0.586 0.800 0.600 CB 1.032 6 residues pruned to eliminate duplicates Z: 47 35.373 2.277 0.710 0.471 0.913 0.478 CB 1.510 47 residues pruned to eliminate duplicates Z: 47 25.305 1.945 0.684 0.481 0.870 0.543 CB 1.335 47 residues pruned to eliminate duplicates Z: 19 21.346 2.036 0.528 0.584 0.944 0.556 CA 1.580 19 residues pruned to eliminate duplicates Z: 9 2.199 1.325 -0.012 0.325 0.750 0.500 CB 0.959 9 residues pruned to eliminate duplicates Z: 12 14.452 2.058 0.709 0.674 0.909 0.727 CB 1.161 12 residues pruned to eliminate duplicates Z: 6 11.733 2.003 0.818 0.867 1.000 1.000 CA 1.054 6 residues pruned to eliminate duplicates Z: 16 14.641 1.862 0.654 0.528 0.800 0.600 C 1.493 16 residues pruned to eliminate duplicates Z: 19 13.518 1.944 0.502 0.502 0.944 0.500 CB 1.154 19 residues pruned to eliminate duplicates Z: 21 22.542 2.105 0.563 0.533 0.900 0.650 CB 1.648 21 residues pruned to eliminate duplicates Z: 91 42.462 2.134 0.612 0.483 0.889 0.489 CB 1.490 91 residues pruned to eliminate duplicates Z: 36 25.204 2.139 0.743 0.550 0.886 0.714 CB 1.228 36 residues pruned to eliminate duplicates Z: 62 31.777 2.188 0.575 0.422 0.869 0.475 CB 1.475 62 residues pruned to eliminate duplicates Z: 33 17.810 2.074 0.553 0.398 0.750 0.406 CB 1.451 33 residues pruned to eliminate duplicates Z: 20 17.323 1.927 0.659 0.580 0.947 0.579 CB 1.215 19 residues pruned to eliminate duplicates Z: 11 12.587 1.896 0.676 0.555 0.900 0.600 CB 1.319 11 residues pruned to eliminate duplicates Z: 6 2.192 1.461 -0.094 0.411 0.800 0.600 CB 1.016 7 1.527 1.205 -0.005 0.409 0.667 0.500 N 0.858 ? Z: 11 21.324 1.736 1.033 0.889 1.000 1.000 CA 1.375 10 residues pruned to eliminate duplicates Z: 7 12.503 2.080 0.476 0.837 0.833 0.833 CA 1.493 7 residues pruned to eliminate duplicates Z: 28 20.621 1.970 0.743 0.415 0.852 0.630 CB 1.482 28 residues pruned to eliminate duplicates Z: 10 23.618 1.884 1.142 0.921 1.000 1.000 CA 1.373 11 residues pruned to eliminate duplicates Z: 14 16.520 2.117 1.023 0.451 0.846 0.615 CB 1.330 14 residues pruned to eliminate duplicates Z: 74 46.507 2.180 0.706 0.515 0.932 0.575 CB 1.549 74 residues pruned to eliminate duplicates Z: 11 8.118 1.965 0.206 0.512 0.700 0.600 CA 1.529 11 residues pruned to eliminate duplicates Z: 9 12.587 1.871 0.745 0.532 0.875 0.625 CA 1.509 9 residues pruned to eliminate duplicates Z: 20 16.685 2.060 0.482 0.445 0.895 0.632 CB 1.482 20 residues pruned to eliminate duplicates Z: 12 11.035 1.718 0.519 0.666 1.000 0.727 CA 1.093 12 residues pruned to eliminate duplicates Z: 74 35.903 2.097 0.596 0.485 0.932 0.562 CB 1.368 73 residues pruned to eliminate duplicates Z: 8 13.616 2.036 0.568 0.890 1.000 0.571 CB 1.159 8 residues pruned to eliminate duplicates Z: 8 14.210 2.088 0.553 0.835 0.857 0.571 CA 1.448 8 residues pruned to eliminate duplicates Z: 20 17.752 2.055 0.446 0.552 0.895 0.526 CB 1.456 20 residues pruned to eliminate duplicates Z: 6 9.857 2.053 0.667 0.880 1.000 0.400 CB 0.933 6 residues pruned to eliminate duplicates Z: 10 10.154 2.087 0.289 0.553 0.889 0.889 CA 1.344 10 residues pruned to eliminate duplicates Z: 11 19.319 1.704 0.906 0.869 1.000 0.700 CA 1.374 11 residues pruned to eliminate duplicates Z: 10 18.999 1.850 0.791 0.868 1.000 0.778 CA 1.397 10 residues pruned to eliminate duplicates Z: 17 10.280 1.858 0.482 0.472 0.875 0.500 CB 1.097 17 residues pruned to eliminate duplicates Z: 7 9.991 1.971 0.140 0.907 1.000 1.000 CB 1.290 7 residues pruned to eliminate duplicates Z: 34 27.699 2.146 0.779 0.447 0.879 0.424 CB 1.518 34 residues pruned to eliminate duplicates Z: 7 9.191 2.031 0.335 0.886 1.000 0.833 CB 0.998 7 residues pruned to eliminate duplicates Z: 18 8.141 1.785 0.346 0.463 0.882 0.471 CB 0.967 18 residues pruned to eliminate duplicates Z: 11 26.170 1.886 1.136 0.919 1.000 0.800 CA 1.448 11 residues pruned to eliminate duplicates Z: 6 11.898 1.945 0.471 0.847 1.000 0.400 CA 1.381 6 residues pruned to eliminate duplicates Z: 7 8.245 1.953 0.228 0.896 1.000 0.667 CB 1.005 7 residues pruned to eliminate duplicates Z: 21 16.236 1.962 0.460 0.558 0.950 0.450 CB 1.261 21 residues pruned to eliminate duplicates Z: 7 9.516 2.005 0.564 0.901 1.000 0.500 CB 0.884 7 residues pruned to eliminate duplicates Z: 30 20.342 2.027 0.732 0.366 0.828 0.517 CB 1.500 30 residues pruned to eliminate duplicates Z: 22 27.467 2.285 0.732 0.493 0.952 0.810 CB 1.601 22 residues pruned to eliminate duplicates Z: 28 30.398 2.021 0.856 0.669 0.963 0.556 CB 1.386 28 residues pruned to eliminate duplicates Z: 11 6.148 1.739 0.419 0.461 0.700 0.600 CB 1.170 11 residues pruned to eliminate duplicates Z: 8 10.532 1.806 0.707 0.884 0.857 0.857 CA 1.089 8 residues pruned to eliminate duplicates Z: 58 30.476 2.096 0.655 0.529 0.895 0.684 CB 1.264 58 residues pruned to eliminate duplicates Z: 8 12.055 1.996 0.354 0.838 0.857 0.429 CA 1.470 8 residues pruned to eliminate duplicates Z: 45 34.919 2.119 0.746 0.533 0.932 0.682 CB 1.479 45 residues pruned to eliminate duplicates Z: 11 23.221 1.827 0.976 0.927 1.000 0.800 CA 1.426 12 residues pruned to eliminate duplicates Z: 30 25.812 2.084 0.765 0.476 0.966 0.759 CB 1.382 30 residues pruned to eliminate duplicates Z: 27 16.309 1.861 0.598 0.482 0.923 0.500 CB 1.186 27 residues pruned to eliminate duplicates Z: 58 36.547 2.194 0.719 0.442 0.912 0.491 CB 1.494 58 residues pruned to eliminate duplicates Z: 54 36.126 2.177 0.698 0.469 0.906 0.528 CB 1.529 54 residues pruned to eliminate duplicates Z: 8 13.212 1.990 0.702 0.909 1.000 0.571 CB 1.047 8 residues pruned to eliminate duplicates Z: 11 21.040 1.812 0.779 0.887 1.000 0.500 CB 1.488 11 residues pruned to eliminate duplicates Z: 8 22.712 2.152 0.833 0.850 1.000 0.571 CA 1.612 8 residues pruned to eliminate duplicates Z: 27 21.694 2.000 0.807 0.456 0.923 0.654 CB 1.334 27 residues pruned to eliminate duplicates Z: 21 19.965 1.939 0.656 0.555 0.950 0.450 CB 1.387 21 residues pruned to eliminate duplicates Z: 6 4.091 1.446 0.227 0.633 0.800 0.600 C 1.138 6 residues pruned to eliminate duplicates Z: 10 11.197 1.934 0.451 0.510 0.889 0.778 CA 1.481 10 residues pruned to eliminate duplicates Z: 29 19.530 1.902 0.645 0.581 0.964 0.643 CB 1.131 29 residues pruned to eliminate duplicates Z: 27 18.804 2.004 0.520 0.505 0.885 0.538 CB 1.361 27 residues pruned to eliminate duplicates Z: 11 5.279 1.747 0.068 0.440 0.900 0.300 CB 1.058 11 residues pruned to eliminate duplicates Z: 9 6.571 1.734 0.496 0.566 0.875 0.750 CB 0.960 9 residues pruned to eliminate duplicates Z: 8 9.165 2.011 0.894 0.347 0.857 0.429 CB 1.253 8 residues pruned to eliminate duplicates Z: 12 20.018 1.764 1.019 0.905 1.000 0.818 CB 1.206 12 residues pruned to eliminate duplicates Z: 11 12.160 1.711 0.502 0.666 1.000 0.600 CA 1.283 11 residues pruned to eliminate duplicates Z: 10 29.536 2.326 0.995 0.602 1.000 0.667 CB 1.926 10 residues pruned to eliminate duplicates Z: 8 11.136 2.135 0.389 0.827 0.714 0.571 CA 1.497 8 residues pruned to eliminate duplicates Z: 8 4.256 1.431 0.594 0.429 0.714 0.571 CB 1.063 8 residues pruned to eliminate duplicates Z: 9 11.062 1.704 0.564 0.715 0.875 0.750 CB 1.381 9 residues pruned to eliminate duplicates Z: 30 30.587 2.058 0.745 0.595 0.966 0.690 CB 1.496 30 residues pruned to eliminate duplicates Z: 23 24.882 2.129 0.730 0.490 0.955 0.591 CB 1.525 23 residues pruned to eliminate duplicates Z: 27 22.392 2.054 0.730 0.559 0.923 0.654 CB 1.264 27 residues pruned to eliminate duplicates Z: 32 21.475 2.196 0.570 0.476 0.774 0.387 CB 1.481 32 residues pruned to eliminate duplicates Z: 20 16.428 2.102 0.527 0.445 0.895 0.474 CB 1.389 20 residues pruned to eliminate duplicates Z: 18 12.711 1.982 0.392 0.588 0.882 0.706 CB 1.164 18 residues pruned to eliminate duplicates Z: 48 32.099 2.169 0.503 0.485 0.915 0.553 CB 1.594 48 residues pruned to eliminate duplicates Z: 24 18.776 1.919 0.616 0.518 0.870 0.522 CA 1.427 24 residues pruned to eliminate duplicates Z: 6 3.238 1.640 0.246 0.614 0.800 0.600 CA 0.795 6 residues pruned to eliminate duplicates Z: 11 13.142 2.069 1.024 0.337 0.800 0.600 CA 1.482 11 residues pruned to eliminate duplicates Z: 23 20.560 2.030 0.721 0.588 0.909 0.682 CB 1.269 23 residues pruned to eliminate duplicates Z: 7 9.049 1.558 0.858 0.504 1.000 1.000 CB 1.271 7 residues pruned to eliminate duplicates Z: 9 6.270 1.443 0.459 0.548 0.875 0.625 CA 1.148 9 residues pruned to eliminate duplicates Z: 11 18.520 1.711 1.045 0.878 0.900 0.500 CA 1.350 11 residues pruned to eliminate duplicates Z: 45 29.202 2.176 0.582 0.458 0.864 0.477 CB 1.545 45 residues pruned to eliminate duplicates Z: 12 4.650 1.722 0.039 0.553 0.909 0.455 CB 0.819 12 residues pruned to eliminate duplicates Z: 6 5.919 1.948 0.266 0.821 0.800 0.800 CA 1.016 6 residues pruned to eliminate duplicates Z: 20 21.229 1.962 0.670 0.603 0.895 0.684 CA 1.506 20 residues pruned to eliminate duplicates Z: 13 8.021 1.943 0.129 0.302 0.917 0.500 CA 1.437 13 residues pruned to eliminate duplicates Z: 12 19.017 2.039 1.053 0.535 0.818 0.545 CB 1.618 12 residues pruned to eliminate duplicates Z: 71 37.657 2.139 0.720 0.460 0.871 0.443 CB 1.462 71 residues pruned to eliminate duplicates Z: 6 2.436 1.105 0.482 0.371 1.000 0.400 N 0.763 Z: 19 19.269 1.887 0.811 0.564 0.889 0.556 CB 1.404 19 residues pruned to eliminate duplicates Z: 25 22.394 2.129 0.770 0.432 0.917 0.667 CB 1.421 25 residues pruned to eliminate duplicates Z: 6 9.013 1.996 0.456 0.861 1.000 0.800 CB 1.019 6 residues pruned to eliminate duplicates Z: 37 24.061 2.028 0.632 0.492 0.889 0.583 CB 1.373 37 residues pruned to eliminate duplicates Z: 40 19.662 1.976 0.522 0.486 0.897 0.590 CB 1.184 40 residues pruned to eliminate duplicates Z: 27 24.586 2.077 0.851 0.553 0.923 0.731 CB 1.291 27 residues pruned to eliminate duplicates Z: 23 15.667 2.011 0.495 0.418 0.864 0.591 CB 1.402 23 residues pruned to eliminate duplicates Z: 6 5.089 1.399 0.244 0.693 1.000 0.600 CB 1.096 6 residues pruned to eliminate duplicates Z: 13 13.574 1.795 0.604 0.526 1.000 0.583 CA 1.327 13 residues pruned to eliminate duplicates Z: 32 32.617 2.223 0.780 0.446 0.935 0.645 CB 1.672 32 residues pruned to eliminate duplicates Z: 31 22.609 2.205 0.578 0.375 0.867 0.600 CB 1.563 31 residues pruned to eliminate duplicates Z: 46 24.508 2.206 0.355 0.406 0.867 0.467 CB 1.557 46 residues pruned to eliminate duplicates Z: 23 23.121 2.014 0.923 0.518 0.864 0.636 CB 1.447 23 residues pruned to eliminate duplicates Z: 25 18.988 2.174 0.573 0.382 0.833 0.542 CB 1.543 25 residues pruned to eliminate duplicates Z: 30 25.431 2.151 0.672 0.433 0.828 0.448 CA 1.700 30 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 2.679 1.693 0.402 0.306 0.600 0.400 N 1.044 Z: 6 4.217 1.785 0.312 0.440 0.800 0.800 CA 1.071 6 residues pruned to eliminate duplicates Z: 44 25.207 2.019 0.717 0.505 0.907 0.674 CB 1.216 44 residues pruned to eliminate duplicates Z: 10 11.652 1.875 1.046 0.445 0.889 0.778 CA 1.206 10 residues pruned to eliminate duplicates Z: 26 20.199 2.000 0.569 0.500 0.880 0.520 CB 1.463 26 residues pruned to eliminate duplicates Z: 17 12.421 1.672 0.637 0.531 0.938 0.500 CB 1.174 17 residues pruned to eliminate duplicates Z: 15 18.731 1.851 0.773 0.506 1.000 0.500 CB 1.517 15 residues pruned to eliminate duplicates Z: 19 17.582 1.966 0.676 0.500 0.889 0.500 CA 1.415 19 residues pruned to eliminate duplicates Z: 24 20.772 1.915 0.628 0.521 0.957 0.435 CB 1.423 24 residues pruned to eliminate duplicates Z: 18 26.045 2.112 0.650 0.638 1.000 0.588 CA 1.593 18 residues pruned to eliminate duplicates Z: 21 21.526 2.005 0.630 0.568 0.950 0.600 CA 1.452 21 residues pruned to eliminate duplicates Z: 21 21.634 2.000 0.737 0.536 0.900 0.500 CA 1.493 21 residues pruned to eliminate duplicates Z: 8 4.385 1.817 0.278 0.265 0.857 0.286 CB 1.088 8 residues pruned to eliminate duplicates Z: 21 22.464 2.032 0.637 0.557 0.950 0.500 CA 1.504 21 residues pruned to eliminate duplicates Z: 18 15.610 1.994 0.595 0.441 0.882 0.412 CA 1.433 18 residues pruned to eliminate duplicates Z: 19 16.311 1.999 0.567 0.456 0.889 0.444 CB 1.444 19 residues pruned to eliminate duplicates Z: 20 19.809 2.027 0.693 0.551 0.895 0.474 CB 1.408 20 residues pruned to eliminate duplicates Z: 11 12.658 1.935 0.710 0.469 0.900 0.600 CA 1.388 11 residues pruned to eliminate duplicates Z: 36 22.430 2.063 0.681 0.530 0.886 0.686 CB 1.199 36 residues pruned to eliminate duplicates Z: 30 25.369 2.148 0.573 0.563 0.931 0.621 CB 1.409 30 residues pruned to eliminate duplicates Z: 34 23.948 2.138 0.599 0.559 0.909 0.636 CB 1.266 34 residues pruned to eliminate duplicates Z: 13 8.858 1.868 1.013 0.287 0.583 0.500 CB 1.482 13 residues pruned to eliminate duplicates Z: 20 26.850 2.213 0.812 0.621 0.947 0.842 CB 1.446 20 residues pruned to eliminate duplicates Z: 30 21.294 2.142 0.487 0.555 0.897 0.690 CB 1.313 30 residues pruned to eliminate duplicates Z: 84 37.768 2.174 0.623 0.459 0.867 0.554 CB 1.413 84 residues pruned to eliminate duplicates Z: 20 22.059 2.176 0.739 0.630 0.895 0.684 CB 1.323 20 residues pruned to eliminate duplicates Z: 58 28.357 2.097 0.609 0.490 0.877 0.649 CB 1.281 58 residues pruned to eliminate duplicates Z: 57 30.424 2.128 0.692 0.499 0.893 0.589 CB 1.266 57 residues pruned to eliminate duplicates Z: 93 41.904 2.136 0.610 0.502 0.902 0.576 CB 1.406 93 residues pruned to eliminate duplicates Z: 75 37.637 2.109 0.617 0.500 0.946 0.568 CB 1.356 75 residues pruned to eliminate duplicates Z: 19 23.126 2.203 0.665 0.635 0.944 0.833 CB 1.387 19 residues pruned to eliminate duplicates Z: 31 22.732 2.141 0.601 0.527 0.900 0.633 CB 1.310 31 residues pruned to eliminate duplicates Z: 35 25.947 2.124 0.663 0.561 0.912 0.676 CB 1.302 35 residues pruned to eliminate duplicates Z: 59 31.510 2.086 0.589 0.475 0.914 0.621 CB 1.401 59 residues pruned to eliminate duplicates Z: 35 22.140 2.108 0.572 0.536 0.912 0.676 CB 1.213 35 residues pruned to eliminate duplicates Z: 85 41.425 2.160 0.695 0.467 0.869 0.548 CB 1.469 85 residues pruned to eliminate duplicates Z: 18 6.774 1.889 0.332 0.428 0.706 0.471 CB 0.997 18 residues pruned to eliminate duplicates Z: 36 20.193 2.102 0.550 0.515 0.829 0.486 CB 1.245 36 residues pruned to eliminate duplicates Z: 35 18.317 2.097 0.502 0.514 0.824 0.588 CB 1.194 35 residues pruned to eliminate duplicates Z: 12 18.486 2.029 0.705 0.541 1.000 0.545 CB 1.547 12 residues pruned to eliminate duplicates Z: 18 12.495 1.947 0.643 0.477 0.824 0.471 CB 1.177 18 residues pruned to eliminate duplicates Z: 39 26.071 2.123 0.710 0.433 0.895 0.553 CB 1.396 39 residues pruned to eliminate duplicates Z: 42 23.857 2.032 0.693 0.433 0.854 0.512 CB 1.360 42 residues pruned to eliminate duplicates Z: 36 24.375 2.120 0.586 0.554 0.914 0.686 CB 1.272 36 residues pruned to eliminate duplicates Z: 37 23.544 2.070 0.633 0.550 0.889 0.667 CB 1.243 37 residues pruned to eliminate duplicates Z: 40 20.513 2.025 0.618 0.410 0.821 0.564 CB 1.343 40 residues pruned to eliminate duplicates Z: 56 29.619 2.166 0.581 0.471 0.873 0.618 CB 1.377 56 residues pruned to eliminate duplicates Z: 56 40.230 2.205 0.807 0.539 0.945 0.745 CB 1.385 56 residues pruned to eliminate duplicates Z: 61 32.430 2.110 0.681 0.496 0.900 0.717 CB 1.318 61 residues pruned to eliminate duplicates Z: 66 32.497 2.141 0.526 0.416 0.892 0.477 CB 1.510 66 residues pruned to eliminate duplicates Z: 33 20.704 2.149 0.573 0.343 0.906 0.531 CB 1.418 33 residues pruned to eliminate duplicates Z: 40 21.642 1.991 0.506 0.373 0.923 0.538 CB 1.435 40 residues pruned to eliminate duplicates Z: 30 14.023 1.870 0.557 0.277 0.828 0.448 CB 1.390 30 residues pruned to eliminate duplicates Z: 55 30.649 2.142 0.682 0.422 0.907 0.537 CB 1.384 55 residues pruned to eliminate duplicates Z: 82 41.742 2.191 0.695 0.503 0.877 0.543 CB 1.420 82 residues pruned to eliminate duplicates Z: 12 17.282 2.169 0.873 0.439 0.909 0.545 CB 1.503 12 residues pruned to eliminate duplicates Z: 54 29.410 2.174 0.577 0.408 0.868 0.434 CB 1.494 54 residues pruned to eliminate duplicates Z: 12 23.144 2.220 1.017 0.449 0.909 0.455 CB 1.806 12 residues pruned to eliminate duplicates Z: 82 40.996 2.158 0.682 0.500 0.852 0.543 CB 1.474 82 residues pruned to eliminate duplicates Z: 24 21.403 2.147 0.888 0.445 0.826 0.522 CB 1.409 24 residues pruned to eliminate duplicates Z: 58 35.924 2.239 0.588 0.429 0.895 0.474 CB 1.610 58 residues pruned to eliminate duplicates Z: 74 40.922 2.187 0.600 0.490 0.904 0.452 CB 1.528 74 residues pruned to eliminate duplicates Z: 74 48.788 2.226 0.673 0.534 0.918 0.630 CB 1.616 74 residues pruned to eliminate duplicates Z: 23 27.607 2.176 0.806 0.478 0.955 0.727 CB 1.605 23 residues pruned to eliminate duplicates Z: 20 22.010 2.171 0.566 0.519 0.842 0.789 CB 1.731 20 residues pruned to eliminate duplicates Z: 23 27.289 2.186 0.855 0.470 0.955 0.727 CB 1.550 23 residues pruned to eliminate duplicates Z: 26 25.805 2.138 0.686 0.529 0.960 0.640 CB 1.450 26 residues pruned to eliminate duplicates Z: 46 36.406 2.246 0.638 0.474 0.933 0.578 CB 1.623 46 residues pruned to eliminate duplicates Z: 59 36.586 2.221 0.562 0.436 0.914 0.517 CB 1.619 59 residues pruned to eliminate duplicates Z: 27 23.993 2.130 0.716 0.422 0.923 0.654 CB 1.513 27 residues pruned to eliminate duplicates Z: 27 25.366 2.200 0.665 0.502 0.962 0.731 CB 1.410 27 residues pruned to eliminate duplicates Z: 39 29.438 2.208 0.716 0.437 0.921 0.632 CB 1.460 39 residues pruned to eliminate duplicates Z: 107 51.397 2.160 0.691 0.493 0.934 0.547 CB 1.473 107 residues pruned to eliminate duplicates Z: 27 24.057 2.211 0.547 0.462 0.846 0.462 CB 1.694 27 residues pruned to eliminate duplicates Z: 54 34.558 2.152 0.807 0.463 0.830 0.528 CB 1.527 54 residues pruned to eliminate duplicates Z: 33 28.508 2.284 0.465 0.442 0.938 0.438 CB 1.706 33 residues pruned to eliminate duplicates Z: 79 47.312 2.207 0.671 0.529 0.910 0.577 CB 1.551 79 residues pruned to eliminate duplicates Z: 44 29.504 2.273 0.451 0.435 0.884 0.535 CB 1.651 44 residues pruned to eliminate duplicates Z: 56 35.048 2.268 0.634 0.446 0.818 0.509 CB 1.647 56 residues pruned to eliminate duplicates Z: 71 41.644 2.189 0.565 0.519 0.886 0.500 CB 1.609 71 residues pruned to eliminate duplicates Z: 27 24.690 2.171 0.562 0.464 0.923 0.500 CB 1.605 27 residues pruned to eliminate duplicates Z: 75 47.687 2.190 0.699 0.516 0.919 0.514 CB 1.596 75 residues pruned to eliminate duplicates Z: 53 41.280 2.177 0.711 0.545 0.904 0.558 CB 1.627 53 residues pruned to eliminate duplicates Z: 49 35.304 2.258 0.606 0.470 0.875 0.562 CB 1.657 49 residues pruned to eliminate duplicates Z: 28 21.378 2.185 0.454 0.473 0.852 0.444 CB 1.563 28 residues pruned to eliminate duplicates Z: 52 41.284 2.164 0.753 0.565 0.902 0.451 CB 1.586 52 residues pruned to eliminate duplicates Z: 47 32.468 2.268 0.482 0.458 0.870 0.587 CB 1.710 47 residues pruned to eliminate duplicates Z: 73 47.917 2.216 0.685 0.521 0.931 0.472 CB 1.593 73 residues pruned to eliminate duplicates Z: 54 35.202 2.164 0.708 0.523 0.849 0.509 CB 1.506 54 residues pruned to eliminate duplicates Z: 53 37.612 2.154 0.680 0.518 0.904 0.442 CB 1.566 53 residues pruned to eliminate duplicates Z: 53 37.520 2.159 0.667 0.529 0.904 0.442 CB 1.554 53 residues pruned to eliminate duplicates Z: 35 21.311 2.035 0.481 0.405 0.853 0.441 CB 1.571 35 residues pruned to eliminate duplicates Z: 51 31.382 2.208 0.641 0.463 0.820 0.540 CB 1.552 51 residues pruned to eliminate duplicates Z: 52 43.080 2.209 0.769 0.544 0.922 0.529 CB 1.604 52 residues pruned to eliminate duplicates Z: 40 26.758 2.190 0.576 0.434 0.872 0.513 CB 1.525 40 residues pruned to eliminate duplicates Z: 58 30.579 2.179 0.511 0.407 0.860 0.456 CB 1.579 58 residues pruned to eliminate duplicates Z: 53 39.598 2.165 0.723 0.545 0.885 0.423 CB 1.593 53 residues pruned to eliminate duplicates Z: 91 52.159 2.160 0.732 0.516 0.933 0.522 CB 1.549 91 residues pruned to eliminate duplicates Z: 46 30.974 2.279 0.559 0.445 0.822 0.578 CB 1.674 46 residues pruned to eliminate duplicates Z: 65 42.438 2.141 0.745 0.507 0.891 0.547 CB 1.584 65 residues pruned to eliminate duplicates Z: 135 57.395 2.176 0.679 0.498 0.888 0.493 CB 1.532 201 residues pruned to eliminate duplicates Z: 11 12.417 1.946 0.393 0.690 1.000 0.600 CA 1.217 11 residues pruned to eliminate duplicates Z: 74 48.156 2.236 0.740 0.516 0.890 0.534 CB 1.602 74 residues pruned to eliminate duplicates Z: 75 46.548 2.165 0.744 0.516 0.905 0.527 CB 1.558 75 residues pruned to eliminate duplicates Z: 68 41.208 2.162 0.687 0.516 0.866 0.552 CB 1.569 68 residues pruned to eliminate duplicates Z: 52 40.933 2.183 0.720 0.538 0.941 0.529 CB 1.562 52 residues pruned to eliminate duplicates Z: 53 40.236 2.202 0.727 0.542 0.904 0.519 CB 1.557 53 residues pruned to eliminate duplicates Z: 53 41.594 2.158 0.785 0.561 0.885 0.615 CB 1.596 53 residues pruned to eliminate duplicates Z: 30 33.926 2.095 0.969 0.587 0.966 0.552 CB 1.455 30 residues pruned to eliminate duplicates Z: 74 47.114 2.112 0.797 0.522 0.932 0.548 CB 1.527 74 residues pruned to eliminate duplicates Z: 74 49.088 2.194 0.697 0.532 0.918 0.562 CB 1.629 74 residues pruned to eliminate duplicates Z: 52 44.232 2.201 0.794 0.543 0.922 0.588 CB 1.631 52 residues pruned to eliminate duplicates Z: 24 27.193 2.018 0.682 0.670 0.957 0.609 CA 1.492 24 residues pruned to eliminate duplicates Z: 52 42.261 2.197 0.718 0.560 0.941 0.588 CB 1.571 52 residues pruned to eliminate duplicates Z: 53 40.780 2.173 0.710 0.550 0.904 0.558 CB 1.604 53 residues pruned to eliminate duplicates Z: 74 50.187 2.226 0.784 0.538 0.877 0.616 CB 1.625 74 residues pruned to eliminate duplicates Z: 53 41.536 2.195 0.740 0.531 0.923 0.615 CB 1.585 53 residues pruned to eliminate duplicates Z: 21 25.928 1.970 0.854 0.675 0.950 0.700 CA 1.422 21 residues pruned to eliminate duplicates Z: 90 47.461 2.140 0.667 0.493 0.921 0.562 CB 1.541 90 residues pruned to eliminate duplicates Z: 55 41.691 2.155 0.692 0.535 0.944 0.574 CB 1.591 55 residues pruned to eliminate duplicates Z: 85 50.685 2.142 0.796 0.512 0.917 0.560 CB 1.550 85 residues pruned to eliminate duplicates Z: 95 56.008 2.181 0.700 0.510 0.947 0.574 CB 1.628 95 residues pruned to eliminate duplicates Z: 46 38.472 2.280 0.687 0.476 0.956 0.400 CB 1.598 46 residues pruned to eliminate duplicates Z: 12 18.831 2.099 0.926 0.424 1.000 0.636 CB 1.521 Z: 6 12.467 1.941 1.341 0.486 1.000 0.800 CA 1.245 6 residues pruned to eliminate duplicates Z: 29 29.933 2.272 0.765 0.443 0.929 0.643 CB 1.611 29 residues pruned to eliminate duplicates Z: 16 15.144 1.989 0.881 0.400 0.867 0.600 CB 1.340 11 residues pruned to eliminate duplicates Z: 6 3.738 1.838 0.260 0.271 0.800 0.400 CB 1.171 4 residues pruned to eliminate duplicates Z: 6 3.352 1.612 0.429 0.347 0.800 0.600 CA 0.961 Z: 8 8.118 1.678 0.437 0.488 1.000 0.429 CA 1.288 6 residues pruned to eliminate duplicates Z: 6 4.620 1.734 0.573 0.301 0.800 0.800 CA 1.182 6 residues pruned to eliminate duplicates Z: 79 48.426 2.168 0.784 0.527 0.910 0.615 CB 1.516 79 residues pruned to eliminate duplicates Z: 37 28.768 2.243 0.564 0.508 0.889 0.528 CB 1.525 37 residues pruned to eliminate duplicates Z: 31 20.713 2.137 0.625 0.380 0.867 0.567 CB 1.427 58 residues pruned to eliminate duplicates Z: 46 34.714 2.248 0.701 0.483 0.889 0.556 CB 1.548 46 residues pruned to eliminate duplicates Z: 49 38.071 2.279 0.764 0.464 0.875 0.458 CB 1.620 49 residues pruned to eliminate duplicates Z: 78 46.820 2.177 0.803 0.524 0.909 0.545 CB 1.460 78 residues pruned to eliminate duplicates Z: 47 35.456 2.282 0.730 0.489 0.870 0.478 CB 1.541 47 residues pruned to eliminate duplicates Z: 28 15.923 2.127 0.483 0.365 0.852 0.259 CB 1.319 28 residues pruned to eliminate duplicates Z: 38 30.360 2.209 0.790 0.441 0.919 0.514 CB 1.459 38 residues pruned to eliminate duplicates Z: 29 21.038 2.231 0.461 0.420 0.857 0.357 CB 1.547 29 residues pruned to eliminate duplicates Z: 47 35.140 2.240 0.718 0.464 0.935 0.500 CB 1.494 47 residues pruned to eliminate duplicates Z: 62 36.737 2.238 0.630 0.480 0.852 0.508 CB 1.543 62 residues pruned to eliminate duplicates Z: 28 23.404 2.171 0.659 0.484 0.889 0.333 CB 1.429 28 residues pruned to eliminate duplicates Z: 26 23.255 2.285 0.609 0.482 0.880 0.480 CB 1.463 26 residues pruned to eliminate duplicates Z: 15 15.624 2.198 0.576 0.476 0.786 0.357 CB 1.572 15 residues pruned to eliminate duplicates Z: 27 25.524 2.193 0.825 0.458 0.885 0.308 CB 1.475 27 residues pruned to eliminate duplicates Z: 51 35.061 2.218 0.744 0.454 0.920 0.520 CB 1.461 51 residues pruned to eliminate duplicates Z: 55 34.017 2.210 0.800 0.418 0.889 0.481 CB 1.425 55 residues pruned to eliminate duplicates Z: 52 36.994 2.234 0.780 0.459 0.902 0.588 CB 1.506 52 residues pruned to eliminate duplicates Z: 48 35.927 2.268 0.761 0.444 0.894 0.532 CB 1.556 48 residues pruned to eliminate duplicates Z: 52 33.688 2.206 0.774 0.464 0.863 0.529 CB 1.449 52 residues pruned to eliminate duplicates Z: 49 36.327 2.238 0.844 0.421 0.896 0.500 CB 1.539 49 residues pruned to eliminate duplicates Z: 78 42.149 2.197 0.661 0.499 0.883 0.532 CB 1.491 78 residues pruned to eliminate duplicates Z: 26 26.683 2.258 0.838 0.421 0.920 0.440 CB 1.517 26 residues pruned to eliminate duplicates Z: 63 40.596 2.196 0.714 0.514 0.903 0.500 CB 1.496 63 residues pruned to eliminate duplicates Z: 22 22.329 2.198 0.705 0.509 0.905 0.476 CB 1.424 22 residues pruned to eliminate duplicates Z: 33 27.916 2.057 0.758 0.580 0.875 0.406 CB 1.445 33 residues pruned to eliminate duplicates Z: 30 28.369 2.055 0.813 0.621 0.897 0.517 CB 1.407 30 residues pruned to eliminate duplicates Z: 78 49.462 2.199 0.844 0.514 0.922 0.545 CB 1.486 78 residues pruned to eliminate duplicates Z: 6 2.029 1.554 0.276 0.400 0.600 0.200 CA 0.848 6 residues pruned to eliminate duplicates Z: 78 47.129 2.202 0.776 0.510 0.922 0.532 CB 1.475 78 residues pruned to eliminate duplicates Z: 76 45.876 2.207 0.735 0.508 0.920 0.547 CB 1.492 76 residues pruned to eliminate duplicates Z: 65 41.300 2.237 0.688 0.521 0.891 0.578 CB 1.504 65 residues pruned to eliminate duplicates Z: 28 23.424 1.966 0.600 0.592 0.963 0.741 CB 1.364 28 residues pruned to eliminate duplicates Z: 25 28.234 2.053 0.848 0.602 0.958 0.375 CB 1.439 25 residues pruned to eliminate duplicates Z: 53 40.017 2.175 0.828 0.542 0.904 0.538 CB 1.482 53 residues pruned to eliminate duplicates Z: 78 48.929 2.203 0.833 0.507 0.922 0.571 CB 1.487 78 residues pruned to eliminate duplicates Z: 27 32.067 2.003 1.029 0.627 0.962 0.731 CB 1.428 27 residues pruned to eliminate duplicates Z: 26 26.234 1.954 0.970 0.593 0.880 0.720 CB 1.417 26 residues pruned to eliminate duplicates Z: 67 43.340 2.184 0.741 0.511 0.939 0.545 CB 1.477 67 residues pruned to eliminate duplicates Z: 30 31.040 2.061 0.986 0.602 0.931 0.586 CB 1.372 30 residues pruned to eliminate duplicates Z: 25 30.150 2.030 0.890 0.651 1.000 0.542 CB 1.394 25 residues pruned to eliminate duplicates Z: 54 40.061 2.140 0.815 0.538 0.925 0.547 CB 1.476 54 residues pruned to eliminate duplicates Z: 52 39.272 2.222 0.769 0.552 0.922 0.549 CB 1.443 52 residues pruned to eliminate duplicates Z: 30 31.740 2.043 0.926 0.638 0.966 0.586 CB 1.363 29 residues pruned to eliminate duplicates Z: 11 17.533 1.864 0.613 0.905 0.900 0.700 CA 1.458 11 residues pruned to eliminate duplicates Z: 75 52.147 2.181 0.896 0.524 0.946 0.554 CB 1.514 75 residues pruned to eliminate duplicates Z: 32 29.950 2.029 0.903 0.534 0.935 0.548 CB 1.440 33 residues pruned to eliminate duplicates Z: 11 24.144 1.851 0.999 0.893 1.000 0.400 CA 1.482 11 residues pruned to eliminate duplicates Z: 12 19.272 1.636 1.093 0.907 1.000 0.545 N 1.206 11 residues pruned to eliminate duplicates Z: 11 19.944 1.657 1.080 0.844 1.000 0.400 CA 1.362 11 residues pruned to eliminate duplicates 197 residues left after pruning, divided into chains as follows: A: 4 B: 6 C: 187 CC for partial structure against native data = 43.00 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.361, Connect. = 0.687 for dens.mod. cycle 1 = 0.304, Contrast = 0.423, Connect. = 0.725 for dens.mod. cycle 2 = 0.305, Contrast = 0.519, Connect. = 0.771 for dens.mod. cycle 3 = 0.305, Contrast = 0.510, Connect. = 0.772 for dens.mod. cycle 4 = 0.305, Contrast = 0.525, Connect. = 0.777 for dens.mod. cycle 5 = 0.305, Contrast = 0.523, Connect. = 0.778 for dens.mod. cycle 6 = 0.305, Contrast = 0.530, Connect. = 0.780 for dens.mod. cycle 7 = 0.305, Contrast = 0.531, Connect. = 0.781 for dens.mod. cycle 8 = 0.305, Contrast = 0.536, Connect. = 0.782 for dens.mod. cycle 9 TimeTaking 144.68