null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 19:19:10 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: ./2prv-1.3-parrot-mrncs/2prv-1.3-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2prv-1.3-parrot-mrncs/2prv-1.3-parrot-mrncs.ins Phases from ./2prv-1.3-parrot-mrncs/2prv-1.3-parrot-mrncs.phi Native data from ./2prv-1.3-parrot-mrncs/2prv-1.3-parrot-mrncs.hkl Listing output to ./2prv-1.3-parrot-mrncs/2prv-1.3-parrot-mrncs.lst Phases output to ./2prv-1.3-parrot-mrncs/2prv-1.3-parrot-mrncs.phs Poly-Ala trace output to ./2prv-1.3-parrot-mrncs/2prv-1.3-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 1 Allowed origin shift code: 1 69437 Reflections read from file ./2prv-1.3-parrot-mrncs/2prv-1.3-parrot-mrncs.phi 69437 Reflections read from file ./2prv-1.3-parrot-mrncs/2prv-1.3-parrot-mrncs.hkl 69437 Unique data, highest resolution = 1.300 Angstroms Anisotropic scaling: intensities multiplied by -0.000317h^2 -0.000139k^2 +0.000250l^2 -0.000155kl +0.000334hl +0.000360hk 2101 Reflections with d > 1.500 and 0 in range 1.500 > d > 1.300 added Density sharpening factor set to 1.80 Fourier grid = 128 x 128 x 109 0.000 <= z <= 1.000 92 Point spherical net set up with radius 2.42A 48 Extra Fourier layers will be generated <|E^2-1|> = 0.672 = 0.299, Contrast = 0.181, Connect. = 0.706 for dens.mod. cycle 1 = 0.299, Contrast = 0.224, Connect. = 0.685 for dens.mod. cycle 2 = 0.299, Contrast = 0.303, Connect. = 0.732 for dens.mod. cycle 3 = 0.300, Contrast = 0.357, Connect. = 0.752 for dens.mod. cycle 4 = 0.300, Contrast = 0.403, Connect. = 0.767 for dens.mod. cycle 5 = 0.300, Contrast = 0.442, Connect. = 0.779 for dens.mod. cycle 6 = 0.300, Contrast = 0.475, Connect. = 0.789 for dens.mod. cycle 7 = 0.300, Contrast = 0.501, Connect. = 0.797 for dens.mod. cycle 8 = 0.300, Contrast = 0.522, Connect. = 0.803 for dens.mod. cycle 9 = 0.300, Contrast = 0.539, Connect. = 0.808 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2676 peaks > 0.5 sigma used to seed fragment search Space for about 339 unique residues taking solvent into account 386 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 20.246 1.941 0.804 0.834 0.923 0.692 CB 1.303 B: 9 29.062 2.163 1.466 0.837 0.875 0.625 C 1.647 C: 13 24.356 1.984 1.027 0.874 0.917 0.833 CB 1.388 14 residues pruned to eliminate duplicates D: 16 28.751 2.032 0.595 0.883 1.000 0.933 CA 1.656 E: 13 23.600 1.977 0.741 0.880 1.000 0.833 CB 1.434 13 residues pruned to eliminate duplicates F: 13 39.669 2.254 1.212 0.912 1.000 1.000 CA 1.627 9 residues pruned to eliminate duplicates G: 16 37.517 2.103 0.953 0.926 1.000 0.867 CA 1.653 16 residues pruned to eliminate duplicates H: 13 26.742 1.968 1.020 0.908 0.917 0.833 CA 1.505 14 residues pruned to eliminate duplicates I: 14 28.364 2.172 0.732 0.906 0.923 0.923 CA 1.611 14 residues pruned to eliminate duplicates J: 11 11.746 1.742 1.249 0.498 0.700 0.500 CA 1.357 K: 14 23.588 1.944 0.851 0.890 0.923 0.769 CB 1.417 14 residues pruned to eliminate duplicates L: 17 29.328 2.048 0.590 0.939 1.000 0.938 CA 1.565 M: 16 32.154 2.118 0.717 0.935 1.000 0.933 CA 1.592 N: 15 40.908 2.182 1.114 0.897 1.000 0.643 CA 1.696 16 residues pruned to eliminate duplicates O: 12 32.809 2.144 1.032 0.925 1.000 0.818 CB 1.594 12 residues pruned to eliminate duplicates P: 13 33.924 2.200 0.871 0.911 1.000 1.000 CA 1.686 13 residues pruned to eliminate duplicates Q: 12 14.559 1.832 0.398 0.909 0.818 0.636 CA 1.487 R: 8 12.335 1.853 1.015 0.492 0.857 0.714 C 1.468 S: 13 24.968 1.977 0.869 0.919 1.000 0.833 CB 1.375 13 residues pruned to eliminate duplicates T: 15 34.686 2.174 0.897 0.917 0.929 0.857 CA 1.709 15 residues pruned to eliminate duplicates U: 18 29.422 1.956 0.721 0.936 1.000 1.000 CB 1.476 18 residues pruned to eliminate duplicates V: 14 33.569 2.176 1.071 0.916 0.923 0.923 CB 1.581 14 residues pruned to eliminate duplicates W: 15 34.078 2.081 1.237 0.888 0.929 0.643 CA 1.518 15 residues pruned to eliminate duplicates X: 13 25.674 2.197 0.793 0.898 0.917 0.750 CA 1.468 13 residues pruned to eliminate duplicates Y: 14 41.646 2.284 1.225 0.927 0.923 0.923 CA 1.725 14 residues pruned to eliminate duplicates Z: 12 43.622 2.382 1.197 0.935 1.000 0.909 CA 1.751 12 residues pruned to eliminate duplicates Z: 15 43.586 2.213 1.134 0.877 1.000 0.786 CA 1.791 15 residues pruned to eliminate duplicates Z: 11 13.724 1.909 0.228 0.867 1.000 1.000 CA 1.354 11 residues pruned to eliminate duplicates Z: 11 21.150 2.143 0.308 0.901 1.000 0.900 CA 1.702 12 residues pruned to eliminate duplicates Z: 37 27.922 2.225 0.654 0.490 0.889 0.528 CB 1.437 18 residues pruned to eliminate duplicates Z: 14 37.135 2.132 1.190 0.932 1.000 0.846 CA 1.541 14 residues pruned to eliminate duplicates Z: 14 24.574 2.146 1.192 0.879 0.846 0.692 CB 1.242 Z: 16 31.469 1.961 1.042 0.887 1.000 0.667 CA 1.464 16 residues pruned to eliminate duplicates Z: 16 11.294 2.016 0.704 0.389 0.800 0.467 CB 1.194 16 residues pruned to eliminate duplicates Z: 11 40.223 2.422 1.030 0.931 1.000 0.900 CB 1.808 11 residues pruned to eliminate duplicates Z: 14 33.083 2.188 1.000 0.903 0.923 0.692 CA 1.619 14 residues pruned to eliminate duplicates Z: 12 41.539 2.378 1.275 0.938 1.000 1.000 CA 1.610 13 residues pruned to eliminate duplicates Z: 17 25.565 2.089 0.437 0.922 1.000 0.812 CB 1.497 17 residues pruned to eliminate duplicates Z: 12 28.227 2.049 1.404 0.918 1.000 0.909 CB 1.219 Z: 18 27.163 1.975 0.734 0.904 0.941 0.765 CA 1.455 18 residues pruned to eliminate duplicates Z: 13 26.614 2.066 1.273 0.887 0.917 0.583 CB 1.287 14 residues pruned to eliminate duplicates Z: 11 16.711 1.865 0.512 0.844 1.000 0.800 CA 1.394 11 residues pruned to eliminate duplicates Z: 15 26.522 2.034 0.989 0.914 0.929 0.857 CA 1.335 15 residues pruned to eliminate duplicates Z: 12 17.519 2.011 1.319 0.905 1.000 0.545 CB 0.806 12 residues pruned to eliminate duplicates Z: 11 45.914 2.390 1.245 0.930 1.000 1.000 CA 1.892 11 residues pruned to eliminate duplicates Z: 13 15.973 2.040 0.718 0.613 0.917 0.583 CB 1.289 Z: 12 39.484 2.276 1.464 0.933 1.000 0.455 CB 1.482 13 residues pruned to eliminate duplicates Z: 13 14.686 1.942 0.532 0.479 1.000 0.833 CB 1.456 14 residues pruned to eliminate duplicates Z: 16 30.324 2.101 0.897 0.933 1.000 0.933 CA 1.371 16 residues pruned to eliminate duplicates Z: 13 33.735 2.212 1.346 0.935 0.917 0.667 CB 1.427 13 residues pruned to eliminate duplicates Z: 13 12.125 2.025 0.855 0.498 0.917 0.417 CB 1.018 Z: 14 25.118 2.109 1.016 0.895 1.000 0.846 CB 1.175 14 residues pruned to eliminate duplicates Z: 13 30.166 2.022 1.244 0.927 1.000 0.917 CB 1.345 12 residues pruned to eliminate duplicates Z: 14 41.216 2.162 1.363 0.929 1.000 0.846 CA 1.566 15 residues pruned to eliminate duplicates Z: 14 18.821 1.902 1.055 0.777 0.846 0.692 CB 1.236 14 residues pruned to eliminate duplicates Z: 14 47.754 2.221 1.588 0.878 1.000 0.923 CA 1.672 14 residues pruned to eliminate duplicates Z: 14 24.574 2.156 0.677 0.886 0.846 0.846 CA 1.608 14 residues pruned to eliminate duplicates Z: 14 19.522 2.098 0.730 0.907 1.000 0.769 CB 1.060 14 residues pruned to eliminate duplicates Z: 14 29.739 2.172 0.663 0.936 1.000 1.000 CA 1.590 14 residues pruned to eliminate duplicates Z: 16 37.644 2.131 0.913 0.942 1.000 0.800 CB 1.654 17 residues pruned to eliminate duplicates Z: 18 31.421 2.015 0.708 0.934 1.000 1.000 CB 1.544 18 residues pruned to eliminate duplicates Z: 13 24.050 2.158 0.755 0.864 0.917 0.917 CB 1.466 13 residues pruned to eliminate duplicates Z: 9 16.497 2.127 0.225 0.906 1.000 0.750 CB 1.592 9 residues pruned to eliminate duplicates Z: 15 39.606 2.154 1.030 0.937 1.000 0.929 CA 1.684 14 residues pruned to eliminate duplicates Z: 16 35.413 2.014 1.065 0.904 1.000 0.867 CA 1.566 16 residues pruned to eliminate duplicates Z: 12 11.466 1.698 1.083 0.369 0.909 0.636 CA 1.238 3 residues pruned to eliminate duplicates Z: 10 8.444 2.099 0.442 0.348 0.778 0.667 CB 1.411 Z: 13 37.102 2.269 1.033 0.928 1.000 0.917 CA 1.627 13 residues pruned to eliminate duplicates Z: 25 23.492 2.043 0.694 0.588 0.917 0.667 CB 1.390 21 residues pruned to eliminate duplicates Z: 15 38.267 2.139 1.041 0.878 1.000 0.857 CA 1.700 15 residues pruned to eliminate duplicates Z: 18 24.034 1.970 0.492 0.907 0.941 0.882 CB 1.497 18 residues pruned to eliminate duplicates Z: 7 12.870 1.657 1.323 0.776 0.833 0.500 C 1.284 7 residues pruned to eliminate duplicates Z: 28 30.375 2.066 0.684 0.663 0.963 0.815 CA 1.501 28 residues pruned to eliminate duplicates Z: 17 34.638 2.056 0.898 0.939 1.000 0.875 CB 1.542 17 residues pruned to eliminate duplicates Z: 10 10.059 1.839 0.277 0.899 1.000 1.000 CA 1.021 Z: 13 22.639 2.040 0.807 0.847 0.917 0.833 CB 1.436 13 residues pruned to eliminate duplicates Z: 15 33.997 2.219 0.863 0.950 1.000 1.000 CA 1.516 14 residues pruned to eliminate duplicates Z: 8 20.699 2.184 0.965 0.677 1.000 1.000 CB 1.550 8 residues pruned to eliminate duplicates Z: 13 23.027 1.964 1.066 0.886 1.000 0.750 CB 1.182 13 residues pruned to eliminate duplicates Z: 10 11.766 1.759 0.394 0.909 1.000 1.000 CA 1.136 10 residues pruned to eliminate duplicates Z: 18 29.608 1.938 0.916 0.908 0.941 0.941 CA 1.459 17 residues pruned to eliminate duplicates Z: 7 11.136 2.100 0.920 0.354 0.833 0.667 CB 1.585 8 residues pruned to eliminate duplicates Z: 16 26.831 2.090 0.719 0.934 1.000 1.000 CA 1.345 16 residues pruned to eliminate duplicates Z: 18 31.616 2.016 0.734 0.942 1.000 0.765 CA 1.522 18 residues pruned to eliminate duplicates Z: 8 14.268 1.956 0.582 0.909 1.000 0.857 CA 1.237 9 residues pruned to eliminate duplicates Z: 12 29.773 2.098 0.984 0.940 1.000 0.909 CA 1.497 12 residues pruned to eliminate duplicates Z: 10 10.191 1.856 0.628 0.859 0.889 0.778 CA 0.930 10 residues pruned to eliminate duplicates Z: 11 16.818 2.137 1.170 0.491 0.900 0.500 CB 1.286 10 residues pruned to eliminate duplicates Z: 13 28.013 2.010 1.192 0.937 1.000 0.750 CB 1.277 13 residues pruned to eliminate duplicates Z: 18 27.287 2.026 0.665 0.922 1.000 0.765 CB 1.379 18 residues pruned to eliminate duplicates Z: 12 27.029 2.099 0.798 0.932 1.000 1.000 CB 1.508 12 residues pruned to eliminate duplicates Z: 14 19.772 1.935 0.642 0.833 0.923 0.846 CB 1.402 14 residues pruned to eliminate duplicates Z: 15 37.071 2.147 1.056 0.914 1.000 0.714 CA 1.588 15 residues pruned to eliminate duplicates Z: 16 40.201 2.170 1.049 0.920 1.000 0.867 CA 1.645 16 residues pruned to eliminate duplicates Z: 17 35.505 2.126 0.789 0.951 1.000 0.875 CB 1.608 17 residues pruned to eliminate duplicates Z: 13 37.519 2.217 1.130 0.923 1.000 0.833 CA 1.613 13 residues pruned to eliminate duplicates Z: 18 34.075 2.042 0.966 0.933 0.941 0.824 CB 1.527 18 residues pruned to eliminate duplicates Z: 11 21.952 1.956 0.737 0.881 1.000 0.900 CB 1.480 10 residues pruned to eliminate duplicates Z: 13 25.019 2.207 0.789 0.904 1.000 0.833 CB 1.303 12 residues pruned to eliminate duplicates Z: 11 11.986 2.083 0.909 0.421 0.900 0.500 CB 1.150 11 residues pruned to eliminate duplicates Z: 8 7.504 1.609 0.289 0.904 1.000 1.000 CB 0.974 Z: 12 10.325 1.767 0.706 0.474 0.909 0.909 CB 1.166 12 residues pruned to eliminate duplicates Z: 14 10.574 1.960 0.721 0.341 0.769 0.538 CB 1.344 14 residues pruned to eliminate duplicates Z: 14 31.141 2.169 0.850 0.925 1.000 1.000 CB 1.510 14 residues pruned to eliminate duplicates Z: 8 7.222 2.049 0.549 0.290 0.857 0.286 CA 1.270 8 residues pruned to eliminate duplicates Z: 18 16.261 1.647 0.697 0.830 1.000 0.824 CB 1.061 8 residues pruned to eliminate duplicates Z: 11 24.230 1.889 1.344 0.904 1.000 0.900 CA 1.233 11 residues pruned to eliminate duplicates Z: 6 2.583 1.161 -0.077 0.711 1.000 0.800 N 0.891 Z: 13 49.562 2.378 1.344 0.926 1.000 0.917 CA 1.801 14 residues pruned to eliminate duplicates Z: 10 20.878 2.247 0.945 0.634 1.000 0.778 CB 1.404 13 residues pruned to eliminate duplicates Z: 15 33.637 2.181 0.831 0.941 1.000 0.929 CA 1.563 15 residues pruned to eliminate duplicates Z: 20 34.385 2.131 1.082 0.695 1.000 0.737 CA 1.487 13 residues pruned to eliminate duplicates Z: 11 45.693 2.415 1.218 0.926 1.000 1.000 C 1.891 11 residues pruned to eliminate duplicates Z: 14 9.119 1.789 0.510 0.495 0.846 0.462 CB 1.111 14 residues pruned to eliminate duplicates Z: 17 33.277 2.060 0.758 0.921 1.000 0.938 CB 1.616 18 residues pruned to eliminate duplicates Z: 18 32.843 2.037 0.768 0.925 1.000 0.882 CB 1.552 17 residues pruned to eliminate duplicates Z: 16 21.154 2.009 0.821 0.760 0.933 0.800 CB 1.270 16 residues pruned to eliminate duplicates Z: 8 13.615 2.045 0.901 0.704 0.714 0.571 CA 1.539 8 residues pruned to eliminate duplicates Z: 10 18.924 2.195 1.056 0.644 0.889 0.667 CB 1.375 10 residues pruned to eliminate duplicates Z: 9 12.856 1.961 0.421 0.908 1.000 0.875 CA 1.159 8 residues pruned to eliminate duplicates Z: 15 9.517 1.604 0.156 0.888 1.000 0.929 CB 0.989 15 residues pruned to eliminate duplicates Z: 14 22.847 2.025 0.659 0.891 0.923 0.923 CB 1.470 14 residues pruned to eliminate duplicates Z: 11 7.339 1.711 0.652 0.332 0.800 0.400 CB 1.233 8 residues pruned to eliminate duplicates Z: 17 18.063 1.913 0.870 0.573 0.875 0.750 CB 1.345 9 residues pruned to eliminate duplicates Z: 11 4.459 1.478 0.722 0.303 0.700 0.500 CB 0.985 6 residues pruned to eliminate duplicates Z: 40 32.072 2.057 0.697 0.660 0.974 0.718 CB 1.301 38 residues pruned to eliminate duplicates Z: 16 23.970 2.058 0.494 0.938 1.000 1.000 CA 1.400 16 residues pruned to eliminate duplicates Z: 11 15.646 1.855 0.423 0.854 1.000 0.700 CB 1.383 11 residues pruned to eliminate duplicates Z: 18 26.391 1.908 0.759 0.922 0.941 0.882 CB 1.425 18 residues pruned to eliminate duplicates Z: 32 28.723 2.094 0.832 0.500 0.903 0.548 CB 1.489 26 residues pruned to eliminate duplicates Z: 7 5.722 1.657 0.765 0.379 0.667 0.500 CA 1.363 7 residues pruned to eliminate duplicates Z: 18 8.179 1.691 0.560 0.355 0.824 0.353 CB 1.068 15 residues pruned to eliminate duplicates Z: 13 33.976 2.202 0.991 0.943 1.000 1.000 CA 1.551 13 residues pruned to eliminate duplicates Z: 12 26.712 2.126 0.676 0.933 1.000 1.000 CB 1.577 12 residues pruned to eliminate duplicates Z: 13 16.873 1.875 0.690 0.813 0.917 0.750 CB 1.277 13 residues pruned to eliminate duplicates Z: 21 22.037 1.969 0.886 0.572 0.950 0.650 CB 1.303 21 residues pruned to eliminate duplicates Z: 18 28.377 1.970 0.669 0.914 1.000 0.882 CA 1.481 18 residues pruned to eliminate duplicates Z: 25 39.262 2.211 1.172 0.586 0.875 0.708 CA 1.757 20 residues pruned to eliminate duplicates Z: 18 17.810 1.668 0.660 0.810 1.000 0.765 CB 1.190 18 residues pruned to eliminate duplicates Z: 14 19.538 1.986 0.822 0.861 0.923 0.923 CB 1.192 14 residues pruned to eliminate duplicates Z: 14 43.762 2.152 1.466 0.925 1.000 0.769 CA 1.604 14 residues pruned to eliminate duplicates Z: 17 31.399 1.957 0.845 0.937 1.000 0.938 CA 1.514 18 residues pruned to eliminate duplicates Z: 8 5.647 1.745 0.560 0.396 0.857 0.571 CB 1.021 8 residues pruned to eliminate duplicates Z: 10 12.003 1.803 0.675 0.896 1.000 0.778 CA 0.949 10 residues pruned to eliminate duplicates Z: 13 5.663 1.595 0.309 0.479 0.750 0.583 CB 1.066 13 residues pruned to eliminate duplicates Z: 18 16.527 1.645 0.783 0.808 0.941 0.824 CB 1.110 18 residues pruned to eliminate duplicates Z: 14 34.240 2.150 1.054 0.945 1.000 1.000 CB 1.488 14 residues pruned to eliminate duplicates Z: 12 11.185 1.892 0.540 0.461 0.909 0.909 CA 1.324 12 residues pruned to eliminate duplicates Z: 14 30.092 2.003 1.366 0.844 0.923 0.538 CB 1.420 14 residues pruned to eliminate duplicates Z: 8 3.556 1.666 0.408 0.467 0.857 0.286 CB 0.691 8 residues pruned to eliminate duplicates Z: 6 15.029 2.142 1.013 0.439 1.000 0.800 C 1.659 6 residues pruned to eliminate duplicates Z: 12 24.814 1.996 0.932 0.891 1.000 0.909 CB 1.395 12 residues pruned to eliminate duplicates Z: 9 8.327 1.943 0.832 0.404 0.750 0.625 CA 1.220 9 residues pruned to eliminate duplicates Z: 13 19.607 2.098 0.702 0.895 1.000 0.750 CB 1.136 13 residues pruned to eliminate duplicates Z: 8 5.926 1.687 0.673 0.510 0.714 0.571 CB 1.100 8 residues pruned to eliminate duplicates Z: 13 22.292 2.162 0.428 0.875 1.000 0.833 CB 1.516 13 residues pruned to eliminate duplicates Z: 50 34.184 1.915 0.791 0.697 0.939 0.755 CB 1.267 48 residues pruned to eliminate duplicates Z: 18 23.833 1.865 0.742 0.914 1.000 0.647 CB 1.258 18 residues pruned to eliminate duplicates Z: 12 12.324 1.938 0.604 0.503 0.818 0.455 CB 1.457 12 residues pruned to eliminate duplicates Z: 9 4.928 1.908 0.538 0.417 0.625 0.625 C 1.036 9 residues pruned to eliminate duplicates Z: 9 9.334 2.086 0.883 0.612 0.875 0.750 CB 0.864 9 residues pruned to eliminate duplicates Z: 11 19.465 1.987 1.128 0.531 1.000 0.700 CB 1.412 13 residues pruned to eliminate duplicates Z: 11 9.574 1.758 0.759 0.497 0.900 0.400 CB 1.091 Z: 17 34.168 2.098 0.997 0.928 1.000 0.812 CA 1.428 17 residues pruned to eliminate duplicates Z: 15 16.467 2.005 0.329 0.902 0.929 0.929 CA 1.268 15 residues pruned to eliminate duplicates Z: 19 26.823 2.061 1.073 0.748 1.000 0.722 CB 1.185 19 residues pruned to eliminate duplicates Z: 11 9.362 1.947 0.472 0.476 0.800 0.600 CB 1.323 11 residues pruned to eliminate duplicates Z: 9 6.810 1.682 1.040 0.403 0.875 0.250 CB 0.889 Z: 15 26.248 2.172 0.457 0.946 1.000 1.000 CA 1.533 15 residues pruned to eliminate duplicates Z: 9 18.289 1.878 1.125 0.687 1.000 0.625 CA 1.365 9 residues pruned to eliminate duplicates Z: 14 12.667 1.862 0.277 0.863 1.000 0.923 CB 1.083 14 residues pruned to eliminate duplicates Z: 39 28.649 2.087 0.856 0.492 0.868 0.526 CB 1.392 39 residues pruned to eliminate duplicates Z: 13 35.189 2.069 1.161 0.916 1.000 0.833 CB 1.604 13 residues pruned to eliminate duplicates Z: 7 11.305 2.135 0.665 0.490 0.833 0.500 CB 1.575 6 residues pruned to eliminate duplicates Z: 8 5.818 1.517 0.685 0.447 0.857 0.571 C 1.060 8 residues pruned to eliminate duplicates Z: 16 28.496 2.064 0.653 0.934 1.000 0.933 CA 1.504 16 residues pruned to eliminate duplicates Z: 7 4.326 1.397 0.851 0.333 0.833 0.500 CB 0.984 7 residues pruned to eliminate duplicates Z: 6 8.575 1.891 0.562 0.611 1.000 0.800 CB 1.168 6 residues pruned to eliminate duplicates Z: 18 24.657 1.885 0.598 0.904 1.000 0.706 CA 1.414 18 residues pruned to eliminate duplicates Z: 11 10.008 1.888 0.371 0.877 0.900 0.700 CB 0.987 11 residues pruned to eliminate duplicates Z: 11 9.992 1.727 0.694 0.441 0.900 0.900 CB 1.276 11 residues pruned to eliminate duplicates Z: 8 13.506 1.789 0.480 0.759 1.000 0.857 O 1.532 7 residues pruned to eliminate duplicates Z: 8 4.827 1.881 -0.012 0.355 1.000 0.571 CB 1.149 8 residues pruned to eliminate duplicates Z: 6 4.756 1.545 0.656 0.287 1.000 0.200 CB 1.056 6 residues pruned to eliminate duplicates Z: 7 4.207 1.397 0.301 0.518 0.833 0.500 CA 1.115 Z: 16 29.364 2.086 0.846 0.931 1.000 0.800 CA 1.376 16 residues pruned to eliminate duplicates Z: 11 18.531 1.909 0.910 0.888 0.900 0.700 CA 1.287 12 residues pruned to eliminate duplicates Z: 10 12.937 1.965 0.303 0.921 1.000 1.000 CA 1.185 10 residues pruned to eliminate duplicates Z: 9 9.126 1.714 0.481 0.707 1.000 0.750 CB 1.053 6 residues pruned to eliminate duplicates Z: 15 18.436 1.902 0.711 0.763 1.000 0.857 CB 1.198 15 residues pruned to eliminate duplicates Z: 12 21.059 2.152 0.504 0.816 1.000 0.727 CA 1.491 12 residues pruned to eliminate duplicates Z: 20 14.634 1.708 0.817 0.625 0.842 0.526 CB 1.142 20 residues pruned to eliminate duplicates Z: 11 2.768 1.603 0.236 0.211 0.700 0.300 CB 0.888 11 residues pruned to eliminate duplicates Z: 16 28.394 2.047 0.836 0.804 0.933 0.867 CA 1.603 16 residues pruned to eliminate duplicates Z: 10 10.443 1.795 0.772 0.806 1.000 1.000 CB 0.838 10 residues pruned to eliminate duplicates Z: 6 2.489 1.630 0.097 0.299 0.600 0.400 C 1.298 Z: 18 17.117 1.631 0.701 0.849 1.000 0.765 CA 1.109 18 residues pruned to eliminate duplicates Z: 12 21.514 2.017 0.572 0.905 1.000 1.000 CB 1.456 12 residues pruned to eliminate duplicates Z: 14 23.608 2.043 1.039 0.851 0.923 0.692 CB 1.261 14 residues pruned to eliminate duplicates Z: 7 3.051 1.428 1.039 0.276 1.000 0.667 CB 0.552 Z: 14 20.787 1.913 0.881 0.846 0.923 0.769 CB 1.289 14 residues pruned to eliminate duplicates Z: 20 34.766 2.228 0.963 0.612 0.947 0.789 CA 1.730 20 residues pruned to eliminate duplicates 6 0.780 1.401 -0.047 0.100 0.600 0.400 CB 0.725 ? Z: 13 23.883 2.176 0.929 0.867 1.000 0.583 CB 1.202 13 residues pruned to eliminate duplicates Z: 13 7.565 1.809 0.337 0.559 1.000 0.583 CB 0.853 7 residues pruned to eliminate duplicates Z: 11 8.582 1.600 0.476 0.653 1.000 0.800 CB 0.996 11 residues pruned to eliminate duplicates Z: 13 36.613 2.228 1.078 0.929 1.000 0.750 CA 1.598 13 residues pruned to eliminate duplicates Z: 17 17.173 1.973 0.578 0.679 0.875 0.500 CB 1.337 17 residues pruned to eliminate duplicates Z: 35 23.092 1.809 0.819 0.645 0.941 0.676 CB 1.117 35 residues pruned to eliminate duplicates Z: 21 11.645 1.749 0.697 0.421 0.900 0.600 CB 1.059 21 residues pruned to eliminate duplicates 6 1.556 1.343 -0.130 0.142 1.000 0.600 CB 0.928 ? 7 1.827 1.396 0.303 0.249 0.667 0.667 N 0.822 ? Z: 15 10.490 1.611 0.282 0.841 0.929 0.929 CB 1.090 15 residues pruned to eliminate duplicates Z: 28 19.832 1.931 0.656 0.490 0.889 0.778 CB 1.357 28 residues pruned to eliminate duplicates Z: 19 12.118 1.856 0.410 0.427 0.944 0.556 CB 1.247 19 residues pruned to eliminate duplicates Z: 8 9.998 1.961 1.231 0.482 0.714 0.714 CB 1.232 14 residues pruned to eliminate duplicates Z: 7 6.766 1.654 0.688 0.505 0.833 0.500 C 1.182 7 residues pruned to eliminate duplicates Z: 7 2.185 1.483 0.446 0.339 0.833 0.500 CB 0.595 4 residues pruned to eliminate duplicates Z: 8 11.847 2.067 1.059 0.307 1.000 0.714 CA 1.303 8 residues pruned to eliminate duplicates Z: 18 29.420 2.100 1.213 0.541 0.941 0.647 C 1.567 18 residues pruned to eliminate duplicates Z: 11 14.654 1.783 1.001 0.828 1.000 1.000 CB 0.978 11 residues pruned to eliminate duplicates Z: 10 4.241 1.724 0.134 0.162 0.889 0.778 CA 1.228 4 residues pruned to eliminate duplicates Z: 9 15.097 1.887 0.813 0.920 1.000 0.750 CA 1.099 9 residues pruned to eliminate duplicates Z: 11 28.823 2.077 1.022 0.920 1.000 1.000 CB 1.528 11 residues pruned to eliminate duplicates Z: 14 14.203 1.939 0.831 0.480 0.769 0.615 CA 1.471 14 residues pruned to eliminate duplicates Z: 18 14.382 1.888 0.817 0.447 0.824 0.529 CB 1.303 20 residues pruned to eliminate duplicates Z: 10 4.233 1.588 0.643 0.341 0.667 0.444 CB 0.965 6 residues pruned to eliminate duplicates 7 1.885 1.429 -0.103 0.083 1.000 0.500 CB 1.029 ? Z: 6 2.499 1.315 0.144 0.364 0.800 0.600 CA 1.075 6 residues pruned to eliminate duplicates Z: 21 26.490 1.967 0.917 0.728 1.000 0.750 CB 1.279 21 residues pruned to eliminate duplicates Z: 12 15.697 1.814 1.110 0.741 1.000 0.909 CB 0.997 13 residues pruned to eliminate duplicates Z: 17 24.346 1.990 1.023 0.665 1.000 0.688 CB 1.298 17 residues pruned to eliminate duplicates Z: 8 4.518 1.732 0.802 0.366 0.714 0.571 CA 0.884 8 residues pruned to eliminate duplicates Z: 17 29.647 2.106 0.925 0.726 1.000 0.812 CB 1.492 17 residues pruned to eliminate duplicates 6 0.921 1.707 0.179 0.406 0.800 0.200 CB 0.282 ? Z: 7 4.885 2.042 0.349 0.137 0.833 0.500 CB 1.365 7 residues pruned to eliminate duplicates Z: 10 11.680 1.552 0.736 0.849 1.000 0.889 CB 1.071 10 residues pruned to eliminate duplicates 266 residues left after pruning, divided into chains as follows: A: 50 B: 23 C: 9 D: 11 E: 49 F: 53 G: 7 H: 26 I: 38 CC for partial structure against native data = 32.96 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.393, Connect. = 0.771 for dens.mod. cycle 1 = 0.300, Contrast = 0.457, Connect. = 0.794 for dens.mod. cycle 2 = 0.300, Contrast = 0.553, Connect. = 0.826 for dens.mod. cycle 3 = 0.300, Contrast = 0.567, Connect. = 0.831 for dens.mod. cycle 4 = 0.300, Contrast = 0.581, Connect. = 0.835 for dens.mod. cycle 5 = 0.300, Contrast = 0.589, Connect. = 0.838 for dens.mod. cycle 6 = 0.300, Contrast = 0.597, Connect. = 0.840 for dens.mod. cycle 7 = 0.300, Contrast = 0.602, Connect. = 0.842 for dens.mod. cycle 8 = 0.300, Contrast = 0.606, Connect. = 0.843 for dens.mod. cycle 9 = 0.300, Contrast = 0.609, Connect. = 0.844 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2109 peaks > 0.5 sigma used to seed fragment search Space for about 339 unique residues taking solvent into account 419 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 50.102 2.373 1.117 0.869 1.000 0.867 CA 1.881 B: 14 48.896 2.573 0.999 0.912 0.923 0.923 C 2.022 14 residues pruned to eliminate duplicates C: 13 49.130 2.548 1.070 0.853 0.917 0.917 CA 2.168 D: 19 50.408 2.448 0.827 0.917 1.000 0.833 CA 1.875 E: 32 24.889 2.310 0.856 0.393 0.774 0.484 CB 1.509 4 residues pruned to eliminate duplicates F: 11 12.592 2.280 0.838 0.365 0.700 0.500 CB 1.570 G: 15 44.173 2.517 0.721 0.909 0.929 0.857 C 2.084 15 residues pruned to eliminate duplicates H: 14 37.808 2.436 0.918 0.875 0.846 0.769 C 1.929 14 residues pruned to eliminate duplicates I: 13 48.853 2.588 0.808 0.894 1.000 0.917 C 2.163 13 residues pruned to eliminate duplicates J: 15 46.891 2.443 1.026 0.896 0.929 0.857 C 1.954 15 residues pruned to eliminate duplicates K: 13 36.044 2.343 0.861 0.923 1.000 0.917 CB 1.677 L: 29 44.241 2.517 1.232 0.557 0.786 0.536 CB 1.792 13 residues pruned to eliminate duplicates M: 13 51.002 2.553 1.282 0.937 1.000 0.833 CB 1.759 N: 16 46.041 2.366 1.044 0.900 0.933 0.933 CA 1.882 16 residues pruned to eliminate duplicates O: 14 40.826 2.375 1.262 0.904 1.000 0.923 CB 1.501 14 residues pruned to eliminate duplicates P: 13 44.353 2.551 0.797 0.872 1.000 0.917 C 2.035 13 residues pruned to eliminate duplicates Q: 16 53.404 2.526 0.872 0.947 1.000 0.933 CA 2.015 16 residues pruned to eliminate duplicates R: 15 38.553 2.403 0.894 0.821 0.929 0.714 C 1.845 15 residues pruned to eliminate duplicates S: 16 55.183 2.496 1.092 0.923 0.933 0.867 CA 2.054 16 residues pruned to eliminate duplicates T: 14 36.156 2.392 1.006 0.922 1.000 0.769 CB 1.469 14 residues pruned to eliminate duplicates U: 16 57.482 2.395 1.288 0.830 1.000 0.800 CB 2.036 16 residues pruned to eliminate duplicates V: 14 41.622 2.376 1.261 0.917 1.000 0.615 CB 1.517 14 residues pruned to eliminate duplicates W: 16 33.814 2.302 0.609 0.850 0.933 0.867 CA 1.871 16 residues pruned to eliminate duplicates X: 17 55.545 2.445 1.243 0.931 0.938 0.875 CA 1.887 17 residues pruned to eliminate duplicates Y: 14 46.991 2.556 0.863 0.912 0.923 0.846 C 2.100 14 residues pruned to eliminate duplicates Z: 13 49.079 2.543 0.963 0.867 1.000 0.917 CA 2.076 13 residues pruned to eliminate duplicates Z: 14 55.211 2.470 1.074 0.925 1.000 1.000 CA 2.097 14 residues pruned to eliminate duplicates Z: 13 39.467 2.485 1.109 0.909 0.917 0.750 CB 1.682 13 residues pruned to eliminate duplicates Z: 14 37.567 2.413 1.034 0.905 1.000 0.615 CB 1.511 14 residues pruned to eliminate duplicates Z: 14 49.396 2.539 1.024 0.923 0.923 0.923 CA 2.031 14 residues pruned to eliminate duplicates Z: 14 58.598 2.502 1.540 0.887 0.923 0.846 CB 1.997 15 residues pruned to eliminate duplicates Z: 15 63.768 2.391 1.413 0.925 1.000 0.786 CA 2.072 15 residues pruned to eliminate duplicates Z: 14 43.165 2.375 1.353 0.934 1.000 0.846 CB 1.494 14 residues pruned to eliminate duplicates Z: 20 43.925 2.340 0.715 0.904 1.000 0.737 CA 1.788 20 residues pruned to eliminate duplicates Z: 14 53.378 2.486 1.119 0.917 1.000 0.923 CA 1.983 14 residues pruned to eliminate duplicates Z: 14 35.057 2.252 0.846 0.937 1.000 0.846 CB 1.628 13 residues pruned to eliminate duplicates Z: 14 57.941 2.564 1.315 0.923 0.923 0.846 CA 2.060 14 residues pruned to eliminate duplicates Z: 13 30.334 2.327 0.853 0.867 0.917 0.750 CB 1.620 13 residues pruned to eliminate duplicates Z: 18 45.788 2.344 0.777 0.945 1.000 0.941 CB 1.846 18 residues pruned to eliminate duplicates Z: 15 64.765 2.462 1.361 0.897 1.000 0.786 CA 2.131 15 residues pruned to eliminate duplicates Z: 18 49.883 2.519 0.645 0.949 1.000 0.941 CA 2.014 18 residues pruned to eliminate duplicates Z: 12 26.736 2.103 0.922 0.840 0.909 0.727 C 1.637 Z: 17 50.045 2.427 0.914 0.941 1.000 0.812 CA 1.870 17 residues pruned to eliminate duplicates Z: 11 26.516 2.368 0.360 0.932 1.000 0.900 CA 1.819 Z: 13 59.723 2.672 1.118 0.900 1.000 1.000 CB 2.176 15 residues pruned to eliminate duplicates Z: 14 58.370 2.509 1.481 0.927 0.923 0.846 CA 1.975 14 residues pruned to eliminate duplicates Z: 15 35.709 2.270 0.967 0.921 1.000 0.714 CB 1.504 14 residues pruned to eliminate duplicates Z: 14 42.356 2.380 1.341 0.872 0.923 0.769 CB 1.666 14 residues pruned to eliminate duplicates Z: 14 37.949 2.403 0.815 0.839 1.000 0.923 CA 1.803 14 residues pruned to eliminate duplicates Z: 16 52.812 2.576 0.834 0.956 1.000 1.000 CA 1.982 16 residues pruned to eliminate duplicates Z: 15 45.086 2.378 0.885 0.913 1.000 0.857 CA 1.903 15 residues pruned to eliminate duplicates Z: 18 41.023 2.315 0.706 0.929 1.000 0.941 CB 1.763 Z: 13 40.348 2.436 0.896 0.921 1.000 1.000 CB 1.774 Z: 18 41.841 2.370 0.632 0.919 0.941 0.882 CA 1.965 18 residues pruned to eliminate duplicates Z: 19 51.236 2.452 0.852 0.916 1.000 0.722 CA 1.877 19 residues pruned to eliminate duplicates Z: 18 44.333 2.459 0.628 0.934 1.000 0.882 CB 1.873 18 residues pruned to eliminate duplicates Z: 14 38.014 2.198 0.842 0.920 1.000 0.692 CB 1.834 14 residues pruned to eliminate duplicates Z: 18 43.845 2.351 0.756 0.941 1.000 0.882 CB 1.787 18 residues pruned to eliminate duplicates Z: 26 52.357 2.583 1.116 0.552 0.880 0.680 CB 2.070 29 residues pruned to eliminate duplicates Z: 14 55.316 2.505 1.436 0.940 0.923 0.846 CA 1.891 14 residues pruned to eliminate duplicates Z: 11 31.805 2.377 0.558 0.890 1.000 0.900 CA 1.953 11 residues pruned to eliminate duplicates Z: 12 23.642 2.215 0.499 0.877 0.909 0.818 C 1.715 12 residues pruned to eliminate duplicates Z: 12 27.978 2.242 0.370 0.908 1.000 0.818 CB 1.949 10 residues pruned to eliminate duplicates Z: 15 46.107 2.441 0.894 0.924 1.000 0.786 C 1.872 15 residues pruned to eliminate duplicates Z: 18 45.674 2.450 0.657 0.933 1.000 0.882 CA 1.904 19 residues pruned to eliminate duplicates Z: 18 45.727 2.361 0.677 0.915 1.000 0.941 CA 1.979 18 residues pruned to eliminate duplicates Z: 18 48.275 2.382 0.794 0.956 1.000 0.941 CA 1.882 18 residues pruned to eliminate duplicates Z: 18 54.011 2.506 0.869 0.930 1.000 0.824 CA 1.955 18 residues pruned to eliminate duplicates Z: 13 43.959 2.584 0.873 0.916 0.917 0.833 CA 2.020 13 residues pruned to eliminate duplicates Z: 10 27.730 2.397 0.358 0.912 1.000 1.000 CA 2.011 10 residues pruned to eliminate duplicates Z: 13 31.055 2.484 0.537 0.934 1.000 1.000 CB 1.638 13 residues pruned to eliminate duplicates Z: 17 47.183 2.466 0.802 0.937 1.000 0.875 CA 1.847 17 residues pruned to eliminate duplicates Z: 11 28.919 2.417 0.518 0.916 0.900 0.800 CA 1.956 11 residues pruned to eliminate duplicates Z: 18 46.183 2.377 0.709 0.945 1.000 0.882 CB 1.908 18 residues pruned to eliminate duplicates Z: 12 32.656 2.364 0.648 0.888 1.000 0.818 CA 1.820 12 residues pruned to eliminate duplicates Z: 13 31.909 2.183 0.673 0.926 1.000 0.667 C 1.769 13 residues pruned to eliminate duplicates Z: 18 46.378 2.398 0.699 0.948 1.000 0.941 CB 1.906 18 residues pruned to eliminate duplicates Z: 52 58.593 2.359 0.730 0.707 0.941 0.706 CB 1.770 27 residues pruned to eliminate duplicates Z: 18 59.085 2.509 1.004 0.941 1.000 0.824 CA 1.979 18 residues pruned to eliminate duplicates Z: 17 48.051 2.509 0.693 0.942 1.000 0.938 CB 1.961 18 residues pruned to eliminate duplicates Z: 16 52.516 2.550 0.773 0.934 1.000 0.800 CA 2.091 16 residues pruned to eliminate duplicates Z: 14 47.591 2.508 1.256 0.923 0.923 0.846 C 1.775 14 residues pruned to eliminate duplicates Z: 18 44.804 2.476 0.537 0.946 1.000 0.824 CA 1.975 18 residues pruned to eliminate duplicates Z: 17 44.581 2.474 0.598 0.946 1.000 0.938 CB 1.951 17 residues pruned to eliminate duplicates Z: 14 35.108 2.293 0.935 0.931 1.000 0.769 CB 1.534 14 residues pruned to eliminate duplicates Z: 14 40.742 2.258 1.070 0.942 1.000 0.923 CB 1.677 13 residues pruned to eliminate duplicates Z: 16 35.349 2.142 0.861 0.840 1.000 0.867 CB 1.709 16 residues pruned to eliminate duplicates Z: 17 43.664 2.490 0.536 0.943 1.000 1.000 CB 1.978 17 residues pruned to eliminate duplicates Z: 19 52.778 2.452 0.886 0.938 1.000 0.833 CA 1.871 19 residues pruned to eliminate duplicates Z: 12 28.520 2.025 1.061 0.806 1.000 0.636 CA 1.577 12 residues pruned to eliminate duplicates Z: 17 51.016 2.444 0.878 0.928 1.000 0.938 CB 1.946 17 residues pruned to eliminate duplicates Z: 19 50.681 2.463 0.851 0.915 1.000 0.889 CA 1.851 19 residues pruned to eliminate duplicates Z: 11 25.920 2.346 0.609 0.892 1.000 0.800 CA 1.560 11 residues pruned to eliminate duplicates Z: 18 61.849 2.517 1.045 0.956 1.000 0.941 CA 2.001 18 residues pruned to eliminate duplicates Z: 14 29.243 2.344 0.762 0.906 1.000 0.846 CB 1.397 14 residues pruned to eliminate duplicates Z: 14 42.877 2.215 1.209 0.945 1.000 0.692 CB 1.681 13 residues pruned to eliminate duplicates Z: 17 46.276 2.452 0.677 0.931 1.000 0.938 CB 1.966 17 residues pruned to eliminate duplicates Z: 18 51.814 2.469 0.826 0.933 1.000 0.824 CA 1.945 18 residues pruned to eliminate duplicates Z: 12 31.736 2.477 0.462 0.910 1.000 0.818 CB 1.873 12 residues pruned to eliminate duplicates Z: 17 48.508 2.471 0.764 0.949 1.000 0.812 CB 1.919 17 residues pruned to eliminate duplicates Z: 23 22.526 2.333 0.535 0.401 0.864 0.591 CB 1.723 23 residues pruned to eliminate duplicates Z: 18 45.561 2.405 0.659 0.951 1.000 0.882 CB 1.909 18 residues pruned to eliminate duplicates Z: 15 55.676 2.412 1.436 0.906 0.929 0.857 CA 1.939 15 residues pruned to eliminate duplicates Z: 14 46.653 2.380 1.159 0.896 0.923 0.692 C 1.954 14 residues pruned to eliminate duplicates Z: 14 45.722 2.454 1.486 0.893 0.846 0.846 C 1.763 14 residues pruned to eliminate duplicates Z: 18 46.431 2.358 0.833 0.937 1.000 0.882 CB 1.813 18 residues pruned to eliminate duplicates Z: 21 23.738 2.322 0.744 0.398 0.850 0.500 CB 1.718 21 residues pruned to eliminate duplicates Z: 19 37.229 2.244 0.710 0.924 0.944 0.889 CB 1.701 19 residues pruned to eliminate duplicates Z: 18 46.458 2.380 0.735 0.913 1.000 0.941 CB 1.932 18 residues pruned to eliminate duplicates Z: 17 42.620 2.484 0.531 0.949 1.000 1.000 CB 1.933 17 residues pruned to eliminate duplicates Z: 18 48.207 2.381 0.863 0.932 0.941 0.824 CB 1.955 17 residues pruned to eliminate duplicates Z: 14 13.213 2.167 0.509 0.371 0.769 0.462 CB 1.672 Z: 40 40.416 2.446 0.867 0.501 0.821 0.564 CB 1.726 54 residues pruned to eliminate duplicates Z: 15 29.250 2.250 0.694 0.849 0.857 0.786 CB 1.774 15 residues pruned to eliminate duplicates Z: 18 52.954 2.507 0.788 0.950 1.000 0.941 CA 1.975 18 residues pruned to eliminate duplicates Z: 12 36.594 2.484 0.905 0.928 0.909 0.818 CB 1.797 12 residues pruned to eliminate duplicates Z: 13 33.144 2.318 0.784 0.902 0.917 0.833 CB 1.800 13 residues pruned to eliminate duplicates Z: 12 21.303 2.014 0.620 0.871 1.000 0.727 CA 1.436 12 residues pruned to eliminate duplicates Z: 17 54.776 2.491 0.909 0.954 1.000 0.875 CB 1.981 17 residues pruned to eliminate duplicates Z: 13 28.627 2.128 1.015 0.602 1.000 0.667 C 1.749 Z: 18 44.332 2.484 0.598 0.923 1.000 0.882 CB 1.904 18 residues pruned to eliminate duplicates Z: 16 29.662 2.086 0.756 0.832 0.933 0.733 CB 1.682 16 residues pruned to eliminate duplicates Z: 18 53.055 2.469 0.906 0.919 1.000 0.824 CA 1.927 18 residues pruned to eliminate duplicates Z: 15 33.127 2.159 0.828 0.871 1.000 0.857 CB 1.636 15 residues pruned to eliminate duplicates Z: 12 26.658 2.213 0.801 0.619 1.000 0.727 C 1.801 12 residues pruned to eliminate duplicates Z: 14 51.110 2.503 1.031 0.927 1.000 0.923 C 1.954 14 residues pruned to eliminate duplicates Z: 33 29.436 2.011 0.876 0.542 0.875 0.625 CB 1.513 33 residues pruned to eliminate duplicates Z: 19 52.527 2.403 1.002 0.930 1.000 0.889 CA 1.799 19 residues pruned to eliminate duplicates Z: 16 56.151 2.511 0.948 0.950 1.000 0.867 CB 2.045 17 residues pruned to eliminate duplicates Z: 14 50.074 2.314 1.221 0.936 1.000 1.000 C 1.882 14 residues pruned to eliminate duplicates Z: 13 52.389 2.620 1.213 0.920 0.917 0.750 C 2.003 13 residues pruned to eliminate duplicates Z: 17 38.081 2.423 0.454 0.924 1.000 0.938 CB 1.898 17 residues pruned to eliminate duplicates Z: 19 47.880 2.307 1.062 0.873 0.944 0.556 CB 1.829 19 residues pruned to eliminate duplicates Z: 14 37.263 2.282 0.706 0.885 1.000 0.923 C 1.917 14 residues pruned to eliminate duplicates Z: 22 18.703 2.285 0.765 0.357 0.762 0.476 CB 1.549 22 residues pruned to eliminate duplicates Z: 14 38.632 2.349 0.917 0.875 0.923 0.769 CB 1.875 14 residues pruned to eliminate duplicates Z: 17 60.779 2.541 1.031 0.954 1.000 0.938 CB 2.025 17 residues pruned to eliminate duplicates Z: 18 29.675 2.167 0.611 0.843 0.941 0.706 CA 1.631 18 residues pruned to eliminate duplicates Z: 13 33.339 2.259 0.691 0.923 1.000 0.833 CB 1.770 13 residues pruned to eliminate duplicates Z: 12 26.937 2.124 0.802 0.834 1.000 0.818 CA 1.590 12 residues pruned to eliminate duplicates Z: 30 50.188 2.564 0.846 0.608 0.897 0.655 CB 1.983 30 residues pruned to eliminate duplicates Z: 27 49.601 2.519 1.202 0.547 0.846 0.615 CB 1.980 27 residues pruned to eliminate duplicates Z: 30 45.726 2.279 0.885 0.609 0.966 0.759 CB 1.846 22 residues pruned to eliminate duplicates Z: 13 41.036 2.397 0.939 0.942 1.000 0.917 CB 1.767 13 residues pruned to eliminate duplicates Z: 15 34.461 2.025 1.028 0.937 1.000 0.786 CA 1.560 15 residues pruned to eliminate duplicates Z: 15 39.374 2.313 0.869 0.886 0.929 0.857 CB 1.891 16 residues pruned to eliminate duplicates Z: 14 66.304 2.550 1.488 0.869 1.000 0.769 CA 2.118 14 residues pruned to eliminate duplicates Z: 12 26.025 2.148 1.074 0.632 0.909 0.818 C 1.712 12 residues pruned to eliminate duplicates Z: 30 42.633 2.256 0.788 0.619 0.966 0.828 CA 1.816 30 residues pruned to eliminate duplicates Z: 18 43.390 2.360 0.661 0.945 1.000 0.882 CB 1.857 18 residues pruned to eliminate duplicates Z: 13 20.766 1.950 0.541 0.859 1.000 0.750 CA 1.468 13 residues pruned to eliminate duplicates Z: 14 31.326 2.402 0.722 0.928 1.000 0.923 CB 1.470 14 residues pruned to eliminate duplicates Z: 14 22.318 2.244 0.471 0.909 1.000 0.923 CB 1.331 14 residues pruned to eliminate duplicates Z: 34 40.938 2.500 0.702 0.525 0.879 0.667 CB 1.859 34 residues pruned to eliminate duplicates Z: 15 37.089 2.296 0.748 0.887 1.000 0.857 CB 1.780 15 residues pruned to eliminate duplicates Z: 6 6.679 1.756 0.235 0.819 1.000 0.400 CA 1.045 6 residues pruned to eliminate duplicates Z: 18 23.019 2.009 0.676 0.745 0.824 0.647 CA 1.618 18 residues pruned to eliminate duplicates Z: 12 29.515 2.069 1.016 0.883 1.000 0.727 C 1.543 12 residues pruned to eliminate duplicates Z: 15 29.757 2.164 0.665 0.832 1.000 0.786 CB 1.658 14 residues pruned to eliminate duplicates Z: 7 6.788 1.944 0.456 0.790 1.000 1.000 CB 0.759 7 residues pruned to eliminate duplicates Z: 52 57.135 2.358 0.712 0.701 0.941 0.765 CB 1.754 52 residues pruned to eliminate duplicates Z: 34 46.405 2.265 0.840 0.696 0.939 0.727 CB 1.726 34 residues pruned to eliminate duplicates Z: 13 22.371 1.968 0.869 0.683 0.917 0.667 C 1.620 13 residues pruned to eliminate duplicates Z: 21 37.505 2.425 0.799 0.650 0.850 0.750 CB 1.966 21 residues pruned to eliminate duplicates Z: 12 30.201 2.069 1.035 0.872 1.000 0.636 CA 1.576 12 residues pruned to eliminate duplicates Z: 13 10.258 1.983 0.725 0.213 0.833 0.417 CB 1.456 13 residues pruned to eliminate duplicates Z: 55 64.464 2.370 0.753 0.689 0.981 0.722 CB 1.810 46 residues pruned to eliminate duplicates Z: 25 28.723 2.234 0.971 0.533 0.875 0.625 CB 1.472 25 residues pruned to eliminate duplicates Z: 17 43.145 2.436 0.615 0.943 1.000 1.000 CB 1.900 17 residues pruned to eliminate duplicates Z: 32 44.752 2.287 0.721 0.728 0.968 0.774 CB 1.718 32 residues pruned to eliminate duplicates Z: 16 28.229 2.025 0.780 0.871 1.000 0.800 CB 1.475 16 residues pruned to eliminate duplicates Z: 54 55.430 2.344 0.766 0.680 0.906 0.698 CB 1.721 54 residues pruned to eliminate duplicates Z: 20 19.106 2.210 0.738 0.476 0.842 0.632 CB 1.389 20 residues pruned to eliminate duplicates Z: 80 65.997 2.425 0.845 0.539 0.899 0.671 CB 1.776 82 residues pruned to eliminate duplicates Z: 14 23.310 2.123 1.022 0.514 0.846 0.692 C 1.755 14 residues pruned to eliminate duplicates Z: 14 39.191 2.248 0.930 0.910 1.000 0.923 CB 1.776 14 residues pruned to eliminate duplicates Z: 24 30.741 2.185 0.640 0.608 0.913 0.696 CB 1.769 24 residues pruned to eliminate duplicates Z: 13 29.874 2.400 0.452 0.913 1.000 0.917 CB 1.751 13 residues pruned to eliminate duplicates Z: 17 11.394 2.043 0.598 0.412 0.812 0.500 CB 1.177 Z: 11 28.310 2.184 0.897 0.723 1.000 0.700 C 1.767 12 residues pruned to eliminate duplicates Z: 51 63.368 2.302 0.781 0.779 1.000 0.740 CB 1.710 51 residues pruned to eliminate duplicates Z: 12 31.050 2.507 0.441 0.920 1.000 1.000 CB 1.824 12 residues pruned to eliminate duplicates Z: 46 35.231 2.204 0.567 0.525 0.889 0.533 CB 1.670 46 residues pruned to eliminate duplicates Z: 14 51.176 2.565 0.987 0.870 1.000 0.923 CB 2.033 14 residues pruned to eliminate duplicates Z: 14 39.916 2.296 1.395 0.918 1.000 0.538 CB 1.420 14 residues pruned to eliminate duplicates Z: 13 13.218 2.253 0.516 0.424 0.750 0.583 CB 1.611 13 residues pruned to eliminate duplicates Z: 39 42.580 2.461 0.819 0.480 0.842 0.579 CB 1.870 39 residues pruned to eliminate duplicates Z: 18 20.810 2.161 0.928 0.484 0.882 0.588 CB 1.394 18 residues pruned to eliminate duplicates Z: 67 53.976 2.470 0.808 0.459 0.864 0.545 CB 1.796 66 residues pruned to eliminate duplicates Z: 29 28.650 2.218 0.884 0.479 0.857 0.536 CB 1.544 29 residues pruned to eliminate duplicates Z: 14 20.371 2.051 0.838 0.480 0.923 0.538 C 1.656 14 residues pruned to eliminate duplicates Z: 14 37.155 2.416 0.667 0.879 0.923 0.923 C 2.010 14 residues pruned to eliminate duplicates Z: 8 25.561 2.278 0.737 0.897 1.000 0.857 CB 1.747 8 residues pruned to eliminate duplicates Z: 18 27.957 2.167 0.474 0.846 0.941 0.882 CA 1.676 18 residues pruned to eliminate duplicates Z: 38 49.066 2.518 0.938 0.530 0.865 0.595 CB 1.856 38 residues pruned to eliminate duplicates Z: 18 29.122 2.159 0.548 0.864 0.941 0.706 CA 1.646 18 residues pruned to eliminate duplicates Z: 8 20.103 2.411 0.590 0.846 0.857 0.857 CB 1.718 8 residues pruned to eliminate duplicates Z: 17 16.406 1.848 0.924 0.362 1.000 0.375 CB 1.337 7 residues pruned to eliminate duplicates Z: 31 43.845 2.391 0.998 0.563 0.900 0.600 CB 1.751 31 residues pruned to eliminate duplicates Z: 10 10.023 2.098 0.658 0.332 0.667 0.556 C 1.730 10 residues pruned to eliminate duplicates Z: 15 32.373 2.212 0.721 0.854 1.000 0.786 CB 1.679 15 residues pruned to eliminate duplicates Z: 19 26.665 2.042 0.721 0.818 0.889 0.778 CA 1.526 19 residues pruned to eliminate duplicates Z: 16 20.852 1.990 0.419 0.870 0.933 0.933 CB 1.491 16 residues pruned to eliminate duplicates Z: 18 33.121 2.175 0.634 0.854 1.000 0.824 CA 1.670 18 residues pruned to eliminate duplicates Z: 18 23.427 2.076 0.404 0.816 0.941 0.765 CB 1.574 18 residues pruned to eliminate duplicates Z: 33 36.341 2.460 0.849 0.508 0.844 0.625 CB 1.661 33 residues pruned to eliminate duplicates Z: 11 15.340 1.925 0.810 0.593 0.900 0.600 C 1.415 8 residues pruned to eliminate duplicates Z: 27 30.868 2.131 0.975 0.483 0.923 0.615 CB 1.585 22 residues pruned to eliminate duplicates Z: 8 14.494 2.057 0.946 0.515 0.857 0.571 CB 1.574 8 residues pruned to eliminate duplicates Z: 27 50.357 2.503 1.123 0.601 0.885 0.615 CB 1.908 27 residues pruned to eliminate duplicates Z: 14 31.916 2.239 0.907 0.893 1.000 0.923 CB 1.489 14 residues pruned to eliminate duplicates Z: 10 11.804 2.007 0.495 0.425 0.889 0.667 CB 1.594 8 residues pruned to eliminate duplicates Z: 19 25.917 2.017 0.590 0.837 0.944 0.556 CB 1.508 19 residues pruned to eliminate duplicates Z: 18 33.147 2.152 0.724 0.840 1.000 0.588 CA 1.617 18 residues pruned to eliminate duplicates Z: 51 73.588 2.526 0.951 0.696 0.940 0.820 CB 1.878 51 residues pruned to eliminate duplicates Z: 18 27.151 2.124 0.506 0.825 0.941 0.706 CB 1.651 18 residues pruned to eliminate duplicates Z: 25 54.734 2.568 1.275 0.588 0.875 0.625 CB 2.009 25 residues pruned to eliminate duplicates Z: 12 13.561 2.316 0.898 0.279 0.727 0.545 CB 1.642 12 residues pruned to eliminate duplicates Z: 18 56.895 2.516 0.928 0.952 1.000 0.882 CA 1.959 18 residues pruned to eliminate duplicates Z: 12 23.323 2.301 1.134 0.528 0.818 0.727 CB 1.702 12 residues pruned to eliminate duplicates Z: 59 51.439 2.426 0.875 0.488 0.862 0.586 CB 1.743 59 residues pruned to eliminate duplicates Z: 27 26.397 2.187 0.545 0.578 0.885 0.769 CB 1.607 27 residues pruned to eliminate duplicates Z: 17 38.313 2.370 0.682 0.779 1.000 0.750 CA 1.879 17 residues pruned to eliminate duplicates Z: 10 6.625 1.782 0.550 0.241 0.778 0.444 CB 1.387 10 residues pruned to eliminate duplicates Z: 15 44.509 2.318 1.173 0.885 0.929 0.714 CA 1.837 15 residues pruned to eliminate duplicates Z: 11 14.479 2.243 0.462 0.534 0.900 0.600 CB 1.501 11 residues pruned to eliminate duplicates Z: 39 32.398 2.124 0.698 0.508 0.895 0.579 CB 1.615 39 residues pruned to eliminate duplicates Z: 44 61.352 2.406 0.937 0.652 0.953 0.698 CB 1.828 44 residues pruned to eliminate duplicates Z: 19 57.997 2.459 1.105 0.921 1.000 0.722 CA 1.859 19 residues pruned to eliminate duplicates Z: 16 27.472 2.152 0.399 0.855 1.000 0.800 CA 1.738 16 residues pruned to eliminate duplicates Z: 7 13.041 2.008 0.585 0.535 1.000 0.500 C 1.617 7 residues pruned to eliminate duplicates Z: 8 3.112 1.863 0.721 0.177 0.571 0.429 CB 0.948 8 residues pruned to eliminate duplicates Z: 12 24.846 2.131 0.936 0.534 1.000 0.545 CA 1.755 12 residues pruned to eliminate duplicates Z: 6 9.432 2.004 0.737 0.435 1.000 0.800 CA 1.296 6 residues pruned to eliminate duplicates Z: 10 14.259 2.034 0.720 0.476 0.889 0.667 CA 1.566 10 residues pruned to eliminate duplicates Z: 28 49.506 2.337 0.867 0.681 0.963 0.815 CB 1.920 28 residues pruned to eliminate duplicates Z: 64 38.571 2.321 0.734 0.395 0.810 0.508 CB 1.665 64 residues pruned to eliminate duplicates Z: 25 21.742 1.956 0.760 0.416 0.917 0.458 CB 1.535 25 residues pruned to eliminate duplicates Z: 10 7.913 1.962 0.422 0.302 0.778 0.556 CA 1.517 10 residues pruned to eliminate duplicates Z: 15 42.233 2.278 0.897 0.915 1.000 0.929 CA 1.846 15 residues pruned to eliminate duplicates Z: 24 39.527 2.342 0.671 0.655 0.957 0.913 CB 1.906 24 residues pruned to eliminate duplicates Z: 40 48.356 2.234 0.837 0.714 0.949 0.590 CB 1.638 40 residues pruned to eliminate duplicates Z: 20 20.221 2.258 0.511 0.518 0.737 0.474 C 1.814 20 residues pruned to eliminate duplicates Z: 51 74.243 2.490 0.951 0.706 0.960 0.800 CB 1.868 51 residues pruned to eliminate duplicates Z: 21 30.410 2.144 0.593 0.776 1.000 0.800 CB 1.561 21 residues pruned to eliminate duplicates Z: 52 73.603 2.473 0.944 0.677 0.961 0.686 CB 1.896 52 residues pruned to eliminate duplicates Z: 27 33.733 2.206 0.728 0.648 0.923 0.615 CB 1.638 27 residues pruned to eliminate duplicates Z: 14 12.810 2.225 0.553 0.431 0.769 0.615 CB 1.435 17 residues pruned to eliminate duplicates Z: 28 45.759 2.289 0.828 0.709 0.963 0.852 CB 1.807 28 residues pruned to eliminate duplicates Z: 10 16.789 2.142 0.925 0.420 0.889 0.556 C 1.660 10 residues pruned to eliminate duplicates Z: 16 22.971 2.142 0.377 0.824 0.933 0.800 CA 1.627 16 residues pruned to eliminate duplicates Z: 28 46.205 2.446 0.919 0.560 0.889 0.667 CB 2.010 28 residues pruned to eliminate duplicates Z: 17 32.246 2.122 0.823 0.857 0.938 0.562 CB 1.637 17 residues pruned to eliminate duplicates Z: 18 33.704 2.146 0.735 0.844 1.000 0.647 CB 1.634 18 residues pruned to eliminate duplicates Z: 11 34.570 2.254 0.882 0.923 1.000 0.900 CB 1.810 11 residues pruned to eliminate duplicates Z: 70 59.759 2.409 0.897 0.560 0.855 0.623 CB 1.737 87 residues pruned to eliminate duplicates Z: 18 37.402 2.200 0.776 0.903 0.941 0.647 C 1.759 Z: 13 38.295 2.469 0.928 0.913 1.000 0.667 CB 1.643 13 residues pruned to eliminate duplicates Z: 47 61.837 2.383 0.837 0.688 0.978 0.761 CB 1.791 47 residues pruned to eliminate duplicates Z: 12 33.592 2.515 0.585 0.922 1.000 0.909 CB 1.787 12 residues pruned to eliminate duplicates Z: 7 7.803 1.866 0.446 0.495 0.833 0.333 CA 1.424 7 residues pruned to eliminate duplicates Z: 28 50.227 2.343 0.872 0.698 0.963 0.926 CA 1.910 29 residues pruned to eliminate duplicates Z: 13 38.843 2.427 0.721 0.898 1.000 0.917 CB 1.920 13 residues pruned to eliminate duplicates Z: 17 35.008 2.117 0.896 0.840 1.000 0.625 CB 1.627 17 residues pruned to eliminate duplicates Z: 14 57.092 2.449 1.252 0.938 1.000 0.846 CA 1.997 14 residues pruned to eliminate duplicates Z: 8 6.552 1.778 0.202 0.435 1.000 0.571 CB 1.240 8 residues pruned to eliminate duplicates Z: 12 20.231 2.229 0.739 0.533 0.818 0.545 CA 1.862 12 residues pruned to eliminate duplicates Z: 32 49.220 2.396 0.691 0.750 0.935 0.935 CB 1.866 32 residues pruned to eliminate duplicates Z: 12 15.180 2.255 0.595 0.417 0.818 0.455 CB 1.695 12 residues pruned to eliminate duplicates Z: 51 76.476 2.438 0.908 0.744 0.980 0.840 CB 1.907 51 residues pruned to eliminate duplicates Z: 21 30.468 2.048 0.823 0.750 1.000 0.600 CB 1.460 21 residues pruned to eliminate duplicates Z: 12 21.090 2.033 1.030 0.594 0.909 0.818 C 1.550 12 residues pruned to eliminate duplicates Z: 31 51.363 2.401 0.683 0.765 0.967 0.900 CB 1.897 31 residues pruned to eliminate duplicates Z: 11 35.773 2.212 1.089 0.935 1.000 0.900 CA 1.706 11 residues pruned to eliminate duplicates Z: 15 31.303 1.981 0.910 0.914 1.000 0.643 CA 1.564 15 residues pruned to eliminate duplicates Z: 17 25.792 2.076 0.692 0.819 0.875 0.812 CB 1.590 17 residues pruned to eliminate duplicates Z: 48 65.389 2.428 1.002 0.632 0.957 0.766 CB 1.811 48 residues pruned to eliminate duplicates Z: 17 36.495 2.330 0.585 0.925 0.938 0.750 CA 1.850 17 residues pruned to eliminate duplicates Z: 32 42.755 2.284 0.842 0.583 0.968 0.774 CB 1.741 32 residues pruned to eliminate duplicates Z: 14 35.258 2.274 0.887 0.925 1.000 0.769 CB 1.599 14 residues pruned to eliminate duplicates Z: 10 23.602 2.053 0.824 0.811 1.000 0.667 CA 1.603 10 residues pruned to eliminate duplicates Z: 11 28.248 2.332 0.479 0.894 1.000 0.700 CA 1.857 11 residues pruned to eliminate duplicates Z: 12 13.349 2.311 0.696 0.269 0.727 0.545 CA 1.835 12 residues pruned to eliminate duplicates Z: 51 59.971 2.362 0.710 0.705 0.960 0.740 CB 1.816 51 residues pruned to eliminate duplicates Z: 14 30.687 2.343 0.620 0.922 1.000 1.000 CB 1.576 14 residues pruned to eliminate duplicates Z: 10 14.479 1.987 0.493 0.823 0.889 0.889 CB 1.383 10 residues pruned to eliminate duplicates Z: 49 61.028 2.324 1.009 0.616 0.958 0.708 CB 1.764 49 residues pruned to eliminate duplicates Z: 18 25.722 2.296 0.410 0.668 0.941 0.882 CB 1.752 18 residues pruned to eliminate duplicates Z: 14 52.064 2.455 1.382 0.914 0.923 0.923 C 1.892 14 residues pruned to eliminate duplicates Z: 6 4.624 1.712 0.232 0.506 0.800 0.600 CA 1.219 6 residues pruned to eliminate duplicates Z: 12 35.213 2.200 0.805 0.908 1.000 1.000 CA 1.899 12 residues pruned to eliminate duplicates Z: 11 31.732 2.313 0.821 0.920 1.000 0.600 CA 1.678 11 residues pruned to eliminate duplicates Z: 14 18.681 1.992 0.495 0.844 0.923 0.692 CB 1.401 14 residues pruned to eliminate duplicates Z: 14 25.702 2.333 0.568 0.912 1.000 0.769 CB 1.380 14 residues pruned to eliminate duplicates Z: 12 31.082 1.983 1.301 0.870 1.000 0.818 C 1.499 12 residues pruned to eliminate duplicates Z: 16 33.648 2.307 0.666 0.817 0.933 0.800 CB 1.839 16 residues pruned to eliminate duplicates Z: 11 8.249 1.841 0.860 0.285 0.700 0.500 CB 1.387 11 residues pruned to eliminate duplicates Z: 50 54.687 2.353 0.869 0.601 0.918 0.612 CB 1.756 68 residues pruned to eliminate duplicates Z: 12 38.646 2.442 0.841 0.924 1.000 0.909 CB 1.820 12 residues pruned to eliminate duplicates Z: 19 41.602 2.352 0.734 0.730 1.000 0.722 CB 1.954 19 residues pruned to eliminate duplicates Z: 7 3.987 1.928 0.147 0.393 0.667 0.500 CB 1.237 Z: 18 44.599 2.420 0.967 0.739 0.941 0.882 C 1.949 18 residues pruned to eliminate duplicates Z: 55 65.419 2.454 0.744 0.694 0.944 0.759 CB 1.845 55 residues pruned to eliminate duplicates Z: 19 43.843 2.417 0.645 0.934 1.000 0.833 CA 1.813 19 residues pruned to eliminate duplicates Z: 13 38.269 2.417 0.775 0.917 1.000 0.917 CB 1.817 13 residues pruned to eliminate duplicates Z: 27 33.069 2.208 0.791 0.555 0.923 0.769 CB 1.684 16 residues pruned to eliminate duplicates Z: 19 50.586 2.338 1.128 0.865 0.944 0.833 CA 1.859 19 residues pruned to eliminate duplicates Z: 13 9.917 2.004 0.462 0.275 0.833 0.583 CB 1.513 13 residues pruned to eliminate duplicates Z: 20 27.855 2.352 0.690 0.531 0.947 0.737 CA 1.646 20 residues pruned to eliminate duplicates Z: 20 51.692 2.585 1.125 0.627 0.895 0.632 CB 2.140 20 residues pruned to eliminate duplicates Z: 14 29.118 2.490 0.932 0.427 0.923 0.692 CA 1.962 14 residues pruned to eliminate duplicates Z: 6 3.456 1.249 0.646 0.471 0.800 0.600 CB 0.968 Z: 6 3.050 1.608 0.057 0.427 0.800 0.600 C 1.082 Z: 14 33.813 2.171 0.921 0.914 1.000 0.769 CB 1.590 14 residues pruned to eliminate duplicates Z: 26 53.883 2.415 0.967 0.755 1.000 0.840 CB 1.807 26 residues pruned to eliminate duplicates Z: 17 54.175 2.532 0.831 0.883 1.000 1.000 CB 2.113 17 residues pruned to eliminate duplicates Z: 34 46.089 2.315 0.779 0.698 0.939 0.697 CB 1.731 34 residues pruned to eliminate duplicates Z: 10 25.780 2.238 0.698 0.897 1.000 0.889 CA 1.619 10 residues pruned to eliminate duplicates Z: 13 13.149 2.111 0.572 0.450 0.833 0.583 CB 1.446 13 residues pruned to eliminate duplicates Z: 50 77.040 2.502 0.989 0.689 0.980 0.796 CB 1.898 50 residues pruned to eliminate duplicates Z: 10 5.752 1.631 0.116 0.380 0.889 0.444 CA 1.346 10 residues pruned to eliminate duplicates Z: 6 8.319 1.684 0.288 0.798 1.000 1.000 C 1.322 6 residues pruned to eliminate duplicates Z: 17 52.522 2.435 1.064 0.793 1.000 0.750 CA 2.021 17 residues pruned to eliminate duplicates Z: 35 62.437 2.480 1.023 0.695 0.971 0.794 CB 1.839 35 residues pruned to eliminate duplicates Z: 6 11.032 2.179 0.412 0.693 1.000 1.000 CA 1.344 Z: 37 41.266 2.418 0.831 0.468 0.917 0.639 CB 1.752 37 residues pruned to eliminate duplicates Z: 8 4.367 1.933 0.173 0.115 0.857 0.714 CB 1.383 4 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 18 25.435 2.178 0.471 0.794 0.882 0.824 CA 1.687 18 residues pruned to eliminate duplicates Z: 21 35.829 2.223 0.867 0.654 0.950 0.650 CB 1.760 21 residues pruned to eliminate duplicates Z: 51 62.033 2.370 0.713 0.710 0.980 0.640 CB 1.823 51 residues pruned to eliminate duplicates Z: 23 31.693 2.142 0.712 0.672 0.909 0.682 CB 1.729 23 residues pruned to eliminate duplicates Z: 51 62.559 2.354 0.773 0.706 0.960 0.720 CB 1.831 51 residues pruned to eliminate duplicates Z: 21 32.788 2.210 0.741 0.693 0.900 0.550 CA 1.775 21 residues pruned to eliminate duplicates Z: 55 60.743 2.297 0.818 0.700 0.944 0.667 CB 1.746 55 residues pruned to eliminate duplicates Z: 52 58.920 2.335 0.740 0.699 0.961 0.784 CB 1.763 52 residues pruned to eliminate duplicates Z: 51 62.991 2.362 0.806 0.701 0.960 0.680 CB 1.812 51 residues pruned to eliminate duplicates Z: 51 57.234 2.328 0.747 0.691 0.920 0.740 CB 1.816 51 residues pruned to eliminate duplicates Z: 23 28.362 2.104 0.751 0.680 0.864 0.591 CB 1.610 23 residues pruned to eliminate duplicates Z: 53 66.996 2.383 0.869 0.707 0.962 0.731 CB 1.797 53 residues pruned to eliminate duplicates Z: 50 64.280 2.392 0.741 0.711 0.980 0.755 CB 1.858 50 residues pruned to eliminate duplicates Z: 52 60.433 2.369 0.774 0.684 0.941 0.706 CB 1.806 52 residues pruned to eliminate duplicates Z: 51 63.868 2.388 0.757 0.710 0.960 0.720 CB 1.854 51 residues pruned to eliminate duplicates Z: 54 60.909 2.341 0.821 0.690 0.943 0.736 CB 1.749 54 residues pruned to eliminate duplicates Z: 53 60.592 2.300 0.835 0.671 0.962 0.731 CB 1.768 53 residues pruned to eliminate duplicates Z: 52 57.913 2.342 0.665 0.693 0.961 0.804 CB 1.815 52 residues pruned to eliminate duplicates Z: 52 56.458 2.322 0.717 0.715 0.922 0.686 CB 1.772 52 residues pruned to eliminate duplicates Z: 35 49.731 2.412 0.859 0.658 0.912 0.676 CB 1.801 35 residues pruned to eliminate duplicates Z: 51 60.062 2.387 0.669 0.725 0.960 0.820 CB 1.813 51 residues pruned to eliminate duplicates Z: 33 48.710 2.255 0.751 0.734 1.000 0.812 CA 1.767 33 residues pruned to eliminate duplicates Z: 33 48.700 2.291 0.743 0.740 0.969 0.844 CB 1.794 33 residues pruned to eliminate duplicates Z: 53 59.190 2.314 0.785 0.681 0.942 0.769 CB 1.785 53 residues pruned to eliminate duplicates Z: 32 50.378 2.341 0.765 0.737 0.968 0.806 CB 1.830 32 residues pruned to eliminate duplicates Z: 51 59.827 2.360 0.723 0.710 0.940 0.780 CB 1.829 51 residues pruned to eliminate duplicates Z: 53 63.585 2.380 0.777 0.709 0.962 0.788 CB 1.794 53 residues pruned to eliminate duplicates Z: 34 48.372 2.399 0.812 0.672 0.939 0.727 CB 1.758 34 residues pruned to eliminate duplicates Z: 53 58.462 2.338 0.808 0.704 0.923 0.731 CB 1.726 53 residues pruned to eliminate duplicates Z: 33 50.067 2.329 0.827 0.708 1.000 0.750 CB 1.721 33 residues pruned to eliminate duplicates Z: 53 58.507 2.340 0.733 0.690 0.942 0.750 CB 1.784 53 residues pruned to eliminate duplicates Z: 52 60.012 2.336 0.789 0.704 0.941 0.745 CB 1.775 52 residues pruned to eliminate duplicates Z: 53 57.701 2.293 0.796 0.703 0.942 0.750 CB 1.714 53 residues pruned to eliminate duplicates Z: 54 56.973 2.287 0.804 0.677 0.925 0.755 CB 1.743 54 residues pruned to eliminate duplicates Z: 32 49.269 2.452 0.664 0.722 0.935 0.806 CB 1.898 32 residues pruned to eliminate duplicates Z: 52 58.058 2.345 0.709 0.713 0.941 0.784 CB 1.777 52 residues pruned to eliminate duplicates Z: 37 48.439 2.357 0.932 0.651 0.889 0.667 CB 1.732 37 residues pruned to eliminate duplicates Z: 51 57.041 2.338 0.726 0.726 0.940 0.780 CB 1.735 51 residues pruned to eliminate duplicates Z: 51 58.258 2.366 0.715 0.711 0.940 0.800 CB 1.783 51 residues pruned to eliminate duplicates Z: 33 49.166 2.256 0.758 0.722 1.000 0.750 CB 1.793 33 residues pruned to eliminate duplicates Z: 51 65.626 2.372 0.848 0.711 0.960 0.740 CB 1.820 51 residues pruned to eliminate duplicates Z: 37 47.424 2.145 0.920 0.655 0.972 0.722 CB 1.708 37 residues pruned to eliminate duplicates Z: 55 60.961 2.301 0.824 0.704 0.944 0.759 CB 1.738 55 residues pruned to eliminate duplicates Z: 33 51.586 2.279 0.806 0.726 1.000 0.812 CB 1.807 33 residues pruned to eliminate duplicates Z: 35 51.315 2.389 0.823 0.674 0.941 0.765 CB 1.829 35 residues pruned to eliminate duplicates Z: 54 62.598 2.307 0.876 0.675 0.943 0.774 CB 1.793 54 residues pruned to eliminate duplicates Z: 51 64.623 2.352 0.885 0.694 0.960 0.800 CB 1.797 51 residues pruned to eliminate duplicates Z: 31 53.088 2.268 0.940 0.768 0.967 0.733 CA 1.798 31 residues pruned to eliminate duplicates Z: 29 49.752 2.332 0.885 0.645 1.000 0.857 CB 1.869 30 residues pruned to eliminate duplicates Z: 19 54.198 2.430 0.984 0.929 1.000 0.889 CA 1.855 19 residues pruned to eliminate duplicates Z: 34 44.687 2.248 0.794 0.588 0.939 0.727 CB 1.886 41 residues pruned to eliminate duplicates Z: 18 50.527 2.491 0.776 0.916 1.000 0.882 CA 1.956 18 residues pruned to eliminate duplicates Z: 33 45.002 2.223 0.878 0.590 0.969 0.750 CB 1.804 33 residues pruned to eliminate duplicates Z: 32 38.751 2.225 0.704 0.624 0.968 0.677 CB 1.688 32 residues pruned to eliminate duplicates Z: 56 60.351 2.366 0.757 0.649 0.927 0.800 CB 1.838 120 residues pruned to eliminate duplicates Z: 35 42.554 2.221 0.800 0.569 0.941 0.735 CB 1.814 Z: 17 59.983 2.494 1.122 0.943 1.000 0.812 CA 1.964 17 residues pruned to eliminate duplicates Z: 32 45.123 2.212 0.908 0.621 0.968 0.806 CB 1.770 33 residues pruned to eliminate duplicates Z: 18 49.767 2.486 0.774 0.923 1.000 0.882 CA 1.923 18 residues pruned to eliminate duplicates Z: 32 59.959 2.364 1.166 0.644 0.968 0.774 CB 1.900 34 residues pruned to eliminate duplicates Z: 18 57.715 2.492 1.139 0.927 0.941 0.706 CB 1.955 18 residues pruned to eliminate duplicates Z: 28 50.592 2.371 0.861 0.666 1.000 0.778 CA 1.892 28 residues pruned to eliminate duplicates Z: 29 52.710 2.384 0.876 0.687 0.964 0.821 CA 1.947 29 residues pruned to eliminate duplicates Z: 31 39.335 2.244 0.738 0.621 0.933 0.767 CB 1.761 31 residues pruned to eliminate duplicates Z: 30 44.122 2.313 0.835 0.619 0.931 0.690 CB 1.854 30 residues pruned to eliminate duplicates Z: 30 46.482 2.286 0.884 0.645 0.931 0.793 CB 1.880 30 residues pruned to eliminate duplicates Z: 29 49.052 2.339 0.820 0.675 0.964 0.821 CB 1.922 29 residues pruned to eliminate duplicates Z: 34 43.117 2.324 0.593 0.645 0.939 0.788 CB 1.886 34 residues pruned to eliminate duplicates Z: 29 47.966 2.337 0.980 0.638 0.929 0.786 CB 1.854 29 residues pruned to eliminate duplicates Z: 13 21.676 2.090 0.819 0.565 1.000 0.583 CB 1.545 13 residues pruned to eliminate duplicates Z: 13 26.966 2.170 0.980 0.578 0.917 0.667 CA 1.834 11 residues pruned to eliminate duplicates Z: 7 4.703 1.696 0.806 0.257 0.667 0.167 CA 1.243 Z: 6 14.075 2.056 1.001 0.510 1.000 0.800 CA 1.514 Z: 6 5.403 1.803 0.932 0.316 0.800 0.600 C 1.063 6 residues pruned to eliminate duplicates Z: 11 29.354 2.267 1.197 0.632 1.000 0.700 CB 1.646 24 residues pruned to eliminate duplicates Z: 13 19.387 2.111 0.547 0.675 0.833 0.833 CA 1.749 13 residues pruned to eliminate duplicates Z: 17 35.954 2.303 0.834 0.692 1.000 0.750 CA 1.786 17 residues pruned to eliminate duplicates Z: 50 80.178 2.533 0.997 0.706 0.959 0.796 CB 1.957 50 residues pruned to eliminate duplicates Z: 51 81.397 2.503 1.070 0.689 0.980 0.740 CB 1.907 56 residues pruned to eliminate duplicates Z: 12 31.269 2.256 0.611 0.925 1.000 1.000 CA 1.819 12 residues pruned to eliminate duplicates Z: 50 76.872 2.528 0.911 0.695 0.980 0.796 CB 1.942 52 residues pruned to eliminate duplicates Z: 12 28.640 2.164 0.789 0.874 1.000 0.818 CA 1.624 11 residues pruned to eliminate duplicates Z: 12 32.785 2.209 1.150 0.884 0.909 0.727 C 1.654 12 residues pruned to eliminate duplicates Z: 10 45.585 2.539 1.120 0.937 1.000 0.889 CA 1.965 10 residues pruned to eliminate duplicates Z: 8 19.018 2.242 1.145 0.683 0.857 0.714 CB 1.474 8 residues pruned to eliminate duplicates Z: 8 16.307 2.487 1.072 0.571 0.714 0.571 CB 1.563 7 residues pruned to eliminate duplicates Z: 6 5.173 1.860 1.030 0.320 0.600 0.600 C 1.245 6 residues pruned to eliminate duplicates Z: 28 48.897 2.553 1.236 0.542 0.852 0.630 CB 1.858 28 residues pruned to eliminate duplicates Z: 27 54.551 2.602 1.341 0.581 0.808 0.615 CB 2.012 27 residues pruned to eliminate duplicates Z: 44 45.616 2.477 0.892 0.465 0.837 0.581 CB 1.837 44 residues pruned to eliminate duplicates Z: 31 44.920 2.422 1.119 0.541 0.867 0.567 CB 1.771 31 residues pruned to eliminate duplicates Z: 21 47.414 2.521 1.204 0.597 0.850 0.650 CB 2.046 21 residues pruned to eliminate duplicates Z: 22 44.023 2.535 1.119 0.571 0.857 0.667 CB 1.948 22 residues pruned to eliminate duplicates Z: 21 38.151 2.449 0.935 0.571 0.850 0.750 CB 1.978 21 residues pruned to eliminate duplicates Z: 21 44.611 2.380 1.147 0.596 0.900 0.700 CB 1.980 21 residues pruned to eliminate duplicates Z: 31 41.891 2.481 0.839 0.490 0.867 0.567 CB 1.954 31 residues pruned to eliminate duplicates Z: 20 43.945 2.424 1.061 0.616 0.895 0.737 C 2.021 20 residues pruned to eliminate duplicates Z: 19 47.388 2.491 1.057 0.657 0.889 0.667 CB 2.120 19 residues pruned to eliminate duplicates Z: 31 48.169 2.490 0.969 0.569 0.867 0.633 CB 1.936 31 residues pruned to eliminate duplicates Z: 31 44.850 2.472 0.925 0.522 0.867 0.733 CB 1.943 31 residues pruned to eliminate duplicates Z: 30 38.945 2.517 0.862 0.539 0.793 0.586 CB 1.873 30 residues pruned to eliminate duplicates Z: 19 53.444 2.563 1.250 0.687 0.889 0.667 CB 2.070 19 residues pruned to eliminate duplicates Z: 19 50.268 2.468 1.126 0.680 0.944 0.667 CA 2.027 19 residues pruned to eliminate duplicates Z: 18 61.941 2.569 1.342 0.736 0.941 0.647 CB 2.146 18 residues pruned to eliminate duplicates Z: 21 54.564 2.480 1.282 0.614 0.950 0.650 CB 2.036 21 residues pruned to eliminate duplicates Z: 17 61.822 2.550 1.488 0.673 1.000 0.688 CA 2.077 17 residues pruned to eliminate duplicates Z: 20 39.589 2.465 0.832 0.546 0.947 0.474 CB 2.030 20 residues pruned to eliminate duplicates Z: 31 45.044 2.547 0.772 0.552 0.900 0.533 CB 1.924 31 residues pruned to eliminate duplicates Z: 43 40.004 2.366 1.031 0.467 0.833 0.571 CB 1.595 41 residues pruned to eliminate duplicates Z: 17 52.967 2.468 1.243 0.739 1.000 0.625 CB 1.931 17 residues pruned to eliminate duplicates Z: 14 10.508 2.335 0.205 0.303 0.846 0.385 CB 1.525 Z: 6 5.554 1.718 0.783 0.491 0.800 0.800 C 1.022 6 residues pruned to eliminate duplicates Z: 52 43.632 2.311 0.709 0.498 0.902 0.667 CB 1.719 40 residues pruned to eliminate duplicates Z: 6 4.993 1.572 0.553 0.330 1.000 0.600 C 1.102 6 residues pruned to eliminate duplicates Z: 59 47.723 2.330 0.885 0.490 0.845 0.552 CB 1.706 59 residues pruned to eliminate duplicates Z: 29 43.430 2.443 0.893 0.574 0.893 0.571 CB 1.852 29 residues pruned to eliminate duplicates Z: 29 49.169 2.450 0.974 0.611 0.964 0.571 CB 1.792 29 residues pruned to eliminate duplicates Z: 59 53.857 2.259 0.918 0.512 0.983 0.552 CB 1.641 59 residues pruned to eliminate duplicates Z: 15 6.498 1.564 0.250 0.306 0.857 0.286 CA 1.286 15 residues pruned to eliminate duplicates Z: 10 6.697 1.896 0.424 0.261 0.778 0.444 CB 1.397 10 residues pruned to eliminate duplicates Z: 10 8.851 2.063 0.222 0.299 0.889 0.444 CA 1.649 10 residues pruned to eliminate duplicates Z: 24 24.570 2.242 0.691 0.468 0.870 0.565 CB 1.605 24 residues pruned to eliminate duplicates Z: 24 27.709 2.181 0.928 0.474 0.913 0.522 CB 1.546 24 residues pruned to eliminate duplicates Z: 37 36.679 2.210 0.875 0.491 0.917 0.500 CB 1.623 37 residues pruned to eliminate duplicates Z: 34 26.164 2.138 0.819 0.428 0.939 0.455 CB 1.343 34 residues pruned to eliminate duplicates Z: 31 29.628 2.180 0.777 0.435 0.900 0.467 CB 1.660 31 residues pruned to eliminate duplicates Z: 24 29.805 2.149 0.966 0.487 0.870 0.565 CB 1.715 24 residues pruned to eliminate duplicates Z: 15 14.644 2.213 0.602 0.310 0.786 0.286 C 1.735 15 residues pruned to eliminate duplicates Z: 24 31.767 2.264 0.743 0.669 0.826 0.739 CB 1.737 24 residues pruned to eliminate duplicates Z: 23 47.262 2.562 0.977 0.629 0.864 0.682 C 2.040 23 residues pruned to eliminate duplicates Z: 10 11.607 2.350 1.021 0.391 0.667 0.444 CB 1.372 10 residues pruned to eliminate duplicates Z: 10 9.346 2.220 0.741 0.383 0.667 0.556 CB 1.370 10 residues pruned to eliminate duplicates Z: 8 11.742 2.259 0.860 0.491 0.714 0.571 CB 1.492 8 residues pruned to eliminate duplicates Z: 9 17.740 2.323 0.916 0.464 0.875 0.625 CB 1.670 9 residues pruned to eliminate duplicates Z: 66 63.272 2.303 0.825 0.641 0.938 0.754 CB 1.744 82 residues pruned to eliminate duplicates Z: 8 4.602 1.641 1.160 0.175 0.571 0.286 CB 1.272 8 residues pruned to eliminate duplicates Z: 27 50.620 2.412 1.247 0.578 0.885 0.654 CB 1.921 27 residues pruned to eliminate duplicates Z: 22 41.153 2.509 0.804 0.573 0.905 0.714 CB 2.045 22 residues pruned to eliminate duplicates Z: 6 3.271 1.971 0.391 0.177 0.600 0.200 CA 1.314 6 residues pruned to eliminate duplicates Z: 33 46.083 2.519 0.940 0.528 0.844 0.594 CB 1.922 33 residues pruned to eliminate duplicates Z: 28 44.076 2.568 0.936 0.544 0.852 0.593 CB 1.918 28 residues pruned to eliminate duplicates Z: 19 44.979 2.560 1.040 0.663 0.889 0.722 C 1.962 19 residues pruned to eliminate duplicates Z: 20 46.355 2.582 0.980 0.587 0.895 0.474 CA 2.139 20 residues pruned to eliminate duplicates Z: 27 49.839 2.588 1.093 0.514 0.846 0.538 C 2.103 27 residues pruned to eliminate duplicates Z: 19 44.981 2.526 0.743 0.666 1.000 0.778 C 2.065 19 residues pruned to eliminate duplicates Z: 22 38.637 2.313 0.802 0.562 1.000 0.667 C 1.904 22 residues pruned to eliminate duplicates Z: 19 47.312 2.583 1.019 0.624 0.889 0.500 C 2.140 19 residues pruned to eliminate duplicates Z: 44 46.391 2.491 0.751 0.493 0.837 0.512 CB 1.951 44 residues pruned to eliminate duplicates Z: 70 50.890 2.377 0.768 0.473 0.841 0.536 CB 1.783 70 residues pruned to eliminate duplicates Z: 32 56.443 2.587 1.117 0.512 0.871 0.516 CB 2.099 32 residues pruned to eliminate duplicates Z: 26 40.620 2.474 0.786 0.581 0.880 0.600 CB 1.933 26 residues pruned to eliminate duplicates Z: 21 35.463 2.514 0.736 0.586 0.850 0.650 C 1.969 21 residues pruned to eliminate duplicates Z: 16 51.430 2.659 0.892 0.740 1.000 0.800 C 2.128 16 residues pruned to eliminate duplicates Z: 41 49.102 2.480 0.823 0.474 0.925 0.600 CB 1.905 41 residues pruned to eliminate duplicates Z: 25 36.276 2.506 0.781 0.580 0.792 0.583 CB 1.942 25 residues pruned to eliminate duplicates Z: 31 51.571 2.532 0.830 0.578 0.967 0.567 CB 1.950 31 residues pruned to eliminate duplicates Z: 47 46.811 2.479 0.774 0.459 0.870 0.587 CB 1.883 47 residues pruned to eliminate duplicates Z: 25 44.731 2.509 0.884 0.559 0.958 0.708 CB 1.903 25 residues pruned to eliminate duplicates Z: 37 42.978 2.493 0.846 0.487 0.889 0.611 CB 1.774 37 residues pruned to eliminate duplicates Z: 33 43.384 2.616 0.832 0.512 0.844 0.531 CB 1.873 33 residues pruned to eliminate duplicates Z: 37 52.637 2.475 1.028 0.506 0.889 0.611 CB 1.954 37 residues pruned to eliminate duplicates Z: 32 46.243 2.634 0.814 0.542 0.839 0.677 CB 1.988 32 residues pruned to eliminate duplicates Z: 17 13.053 2.038 0.615 0.354 0.750 0.500 CB 1.549 17 residues pruned to eliminate duplicates Z: 43 32.675 2.289 0.780 0.410 0.833 0.476 CB 1.631 43 residues pruned to eliminate duplicates Z: 42 39.055 2.262 0.891 0.426 0.927 0.463 CB 1.662 42 residues pruned to eliminate duplicates Z: 37 49.319 2.533 0.968 0.503 0.861 0.611 CB 1.909 37 residues pruned to eliminate duplicates Z: 23 24.437 2.250 0.863 0.372 0.864 0.545 CB 1.651 23 residues pruned to eliminate duplicates Z: 41 41.537 2.478 0.862 0.445 0.825 0.575 CB 1.826 41 residues pruned to eliminate duplicates Z: 8 8.952 2.101 0.744 0.297 0.714 0.571 CB 1.623 8 residues pruned to eliminate duplicates Z: 28 28.296 2.270 0.921 0.442 0.889 0.519 CB 1.492 28 residues pruned to eliminate duplicates Z: 45 43.548 2.482 0.778 0.477 0.864 0.568 CB 1.763 45 residues pruned to eliminate duplicates Z: 46 34.367 2.350 0.834 0.387 0.867 0.489 CB 1.546 46 residues pruned to eliminate duplicates Z: 25 15.128 1.975 0.618 0.392 0.875 0.500 CB 1.239 25 residues pruned to eliminate duplicates Z: 18 15.861 2.114 0.740 0.373 0.882 0.353 CB 1.358 18 residues pruned to eliminate duplicates Z: 23 27.720 2.220 0.858 0.456 0.955 0.545 CB 1.570 23 residues pruned to eliminate duplicates Z: 21 18.661 2.147 0.468 0.435 0.950 0.600 CB 1.490 21 residues pruned to eliminate duplicates Z: 48 41.191 2.313 0.772 0.519 0.872 0.596 CB 1.650 48 residues pruned to eliminate duplicates Z: 12 19.900 2.241 0.576 0.496 1.000 0.636 CB 1.706 12 residues pruned to eliminate duplicates Z: 106 78.856 2.378 0.867 0.587 0.905 0.648 CB 1.763 106 residues pruned to eliminate duplicates Z: 26 25.962 2.207 0.980 0.440 0.840 0.600 CB 1.504 26 residues pruned to eliminate duplicates Z: 19 16.414 2.156 0.733 0.385 0.833 0.444 CB 1.404 19 residues pruned to eliminate duplicates Z: 28 35.955 2.298 0.806 0.514 0.963 0.519 CB 1.707 28 residues pruned to eliminate duplicates Z: 34 33.706 2.293 0.821 0.444 0.939 0.515 CB 1.585 34 residues pruned to eliminate duplicates Z: 28 23.823 2.205 0.698 0.466 0.852 0.556 CB 1.488 28 residues pruned to eliminate duplicates Z: 6 2.379 1.884 0.328 0.201 0.400 0.400 CB 1.517 Z: 6 4.491 1.881 0.307 0.322 0.800 0.800 CA 1.243 Z: 18 42.381 2.585 0.414 0.831 1.000 0.941 CB 2.112 3 residues pruned to eliminate duplicates Z: 19 48.664 2.450 0.752 0.811 1.000 0.833 CB 2.039 21 residues pruned to eliminate duplicates Z: 18 34.913 2.292 0.505 0.911 1.000 0.824 CB 1.740 18 residues pruned to eliminate duplicates Z: 26 43.013 2.397 0.863 0.643 0.920 0.720 CB 1.832 24 residues pruned to eliminate duplicates Z: 19 40.920 2.244 0.744 0.911 0.944 0.889 CB 1.849 19 residues pruned to eliminate duplicates Z: 25 44.777 2.439 0.824 0.671 0.917 0.792 CB 1.914 26 residues pruned to eliminate duplicates Z: 19 36.077 2.213 0.571 0.944 1.000 0.889 CB 1.694 19 residues pruned to eliminate duplicates Z: 65 54.420 2.423 0.730 0.522 0.906 0.656 CB 1.751 91 residues pruned to eliminate duplicates Z: 48 53.957 2.388 0.850 0.615 0.936 0.702 CB 1.707 48 residues pruned to eliminate duplicates Z: 64 54.433 2.444 0.765 0.526 0.873 0.683 CB 1.775 64 residues pruned to eliminate duplicates Z: 25 45.037 2.435 0.758 0.640 0.958 0.708 CB 1.965 Z: 18 48.696 2.383 0.823 0.939 1.000 0.941 CB 1.889 17 residues pruned to eliminate duplicates Z: 17 47.923 2.406 0.904 0.889 0.938 0.938 CB 2.008 26 residues pruned to eliminate duplicates Z: 18 46.212 2.343 0.837 0.947 1.000 0.824 CB 1.800 18 residues pruned to eliminate duplicates Z: 34 52.815 2.447 1.000 0.601 0.939 0.758 CB 1.817 51 residues pruned to eliminate duplicates Z: 49 49.548 2.363 0.805 0.555 0.917 0.688 CB 1.735 49 residues pruned to eliminate duplicates Z: 53 69.213 2.450 0.854 0.682 0.962 0.769 CB 1.860 53 residues pruned to eliminate duplicates Z: 53 70.717 2.458 0.916 0.694 0.942 0.692 CB 1.851 53 residues pruned to eliminate duplicates Z: 51 76.990 2.513 0.946 0.702 0.980 0.780 CB 1.890 51 residues pruned to eliminate duplicates Z: 54 66.111 2.421 0.834 0.699 0.962 0.830 CB 1.774 54 residues pruned to eliminate duplicates Z: 51 76.909 2.526 0.900 0.699 0.980 0.780 CB 1.929 51 residues pruned to eliminate duplicates Z: 55 66.168 2.413 0.847 0.682 0.926 0.704 CB 1.846 55 residues pruned to eliminate duplicates Z: 51 72.755 2.488 0.841 0.708 0.980 0.840 CB 1.898 51 residues pruned to eliminate duplicates Z: 51 70.201 2.507 0.808 0.714 0.960 0.820 CB 1.880 51 residues pruned to eliminate duplicates Z: 57 68.028 2.369 0.886 0.648 0.964 0.786 CB 1.839 57 residues pruned to eliminate duplicates Z: 54 66.201 2.444 0.781 0.665 0.962 0.755 CB 1.864 54 residues pruned to eliminate duplicates Z: 73 85.023 2.446 0.978 0.648 0.958 0.792 CB 1.883 80 residues pruned to eliminate duplicates Z: 17 46.531 2.441 0.880 0.793 1.000 0.750 CA 1.960 17 residues pruned to eliminate duplicates Z: 50 73.076 2.530 0.815 0.718 0.959 0.714 CB 1.946 50 residues pruned to eliminate duplicates Z: 52 68.662 2.474 0.755 0.688 0.980 0.784 CB 1.903 52 residues pruned to eliminate duplicates Z: 67 76.283 2.429 0.904 0.688 0.939 0.788 CB 1.819 67 residues pruned to eliminate duplicates Z: 52 72.960 2.457 0.898 0.703 0.980 0.784 CB 1.858 52 residues pruned to eliminate duplicates Z: 50 69.571 2.501 0.726 0.733 0.980 0.837 CB 1.906 50 residues pruned to eliminate duplicates Z: 53 69.500 2.460 0.864 0.685 0.962 0.788 CB 1.845 53 residues pruned to eliminate duplicates Z: 52 74.683 2.507 0.893 0.715 0.961 0.824 CB 1.887 52 residues pruned to eliminate duplicates Z: 51 72.025 2.493 0.800 0.703 0.980 0.780 CB 1.927 51 residues pruned to eliminate duplicates Z: 58 62.666 2.346 0.798 0.660 0.965 0.772 CB 1.758 58 residues pruned to eliminate duplicates Z: 51 68.464 2.477 0.822 0.700 0.920 0.740 CB 1.943 51 residues pruned to eliminate duplicates Z: 54 65.344 2.417 0.734 0.686 0.981 0.774 CB 1.841 54 residues pruned to eliminate duplicates Z: 50 72.118 2.526 0.804 0.719 0.959 0.776 CB 1.933 50 residues pruned to eliminate duplicates Z: 51 70.309 2.490 0.856 0.679 0.960 0.700 CB 1.900 51 residues pruned to eliminate duplicates Z: 35 58.736 2.476 1.015 0.681 0.941 0.706 CB 1.817 35 residues pruned to eliminate duplicates Z: 51 78.826 2.513 0.987 0.707 0.980 0.780 CB 1.887 51 residues pruned to eliminate duplicates Z: 54 72.325 2.456 0.924 0.662 0.962 0.736 CB 1.881 54 residues pruned to eliminate duplicates Z: 53 74.333 2.478 0.967 0.681 0.942 0.731 CB 1.901 53 residues pruned to eliminate duplicates Z: 32 57.169 2.405 1.016 0.749 0.935 0.774 CB 1.813 32 residues pruned to eliminate duplicates Z: 56 74.069 2.362 1.030 0.679 0.982 0.782 CB 1.799 56 residues pruned to eliminate duplicates Z: 50 82.784 2.540 0.996 0.713 0.980 0.735 CB 1.964 50 residues pruned to eliminate duplicates Z: 57 65.260 2.360 0.935 0.649 0.946 0.696 CB 1.756 57 residues pruned to eliminate duplicates Z: 52 78.928 2.506 1.025 0.691 0.961 0.824 CB 1.904 52 residues pruned to eliminate duplicates Z: 51 76.896 2.499 0.972 0.701 0.960 0.720 CB 1.914 51 residues pruned to eliminate duplicates Z: 45 56.449 2.326 1.040 0.640 0.955 0.682 CB 1.647 45 residues pruned to eliminate duplicates 240 residues left after pruning, divided into chains as follows: A: 240 CC for partial structure against native data = 30.50 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.417, Connect. = 0.772 for dens.mod. cycle 1 = 0.300, Contrast = 0.479, Connect. = 0.795 for dens.mod. cycle 2 = 0.300, Contrast = 0.568, Connect. = 0.828 for dens.mod. cycle 3 = 0.300, Contrast = 0.577, Connect. = 0.832 for dens.mod. cycle 4 = 0.300, Contrast = 0.587, Connect. = 0.836 for dens.mod. cycle 5 = 0.300, Contrast = 0.593, Connect. = 0.839 for dens.mod. cycle 6 = 0.300, Contrast = 0.599, Connect. = 0.841 for dens.mod. cycle 7 = 0.300, Contrast = 0.602, Connect. = 0.843 for dens.mod. cycle 8 = 0.300, Contrast = 0.606, Connect. = 0.844 for dens.mod. cycle 9 = 0.300, Contrast = 0.608, Connect. = 0.845 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2125 peaks > 0.5 sigma used to seed fragment search Space for about 339 unique residues taking solvent into account 424 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 56.308 2.567 1.097 0.925 1.000 1.000 C 2.120 B: 14 38.281 2.399 0.838 0.884 0.923 0.846 C 1.885 14 residues pruned to eliminate duplicates C: 13 54.609 2.744 0.743 0.934 1.000 0.917 CA 2.298 14 residues pruned to eliminate duplicates D: 14 45.860 2.384 1.069 0.909 0.923 0.692 CA 1.982 14 residues pruned to eliminate duplicates E: 14 42.710 2.510 0.767 0.915 0.923 0.846 C 2.045 14 residues pruned to eliminate duplicates F: 15 42.249 2.446 0.818 0.898 0.929 0.929 C 1.956 15 residues pruned to eliminate duplicates G: 13 52.877 2.585 0.931 0.884 1.000 0.917 CA 2.210 13 residues pruned to eliminate duplicates H: 14 46.920 2.578 0.736 0.875 1.000 0.769 C 2.115 14 residues pruned to eliminate duplicates I: 15 38.044 2.294 0.793 0.896 0.929 0.786 C 1.907 15 residues pruned to eliminate duplicates J: 18 49.973 2.489 0.763 0.940 1.000 0.941 CA 1.918 K: 14 60.605 2.632 1.124 0.901 1.000 0.923 CA 2.146 L: 22 23.961 2.359 0.752 0.384 0.810 0.476 CB 1.768 M: 83 85.281 2.436 0.910 0.643 0.927 0.634 CB 1.910 14 residues pruned to eliminate duplicates N: 14 50.731 2.571 0.849 0.916 1.000 0.846 CA 2.090 14 residues pruned to eliminate duplicates O: 13 43.937 2.525 1.070 0.938 1.000 0.917 CB 1.687 P: 19 45.617 2.458 0.682 0.921 1.000 0.833 CA 1.830 19 residues pruned to eliminate duplicates Q: 13 45.606 2.597 0.679 0.894 1.000 0.917 CA 2.167 13 residues pruned to eliminate duplicates R: 14 25.105 2.250 0.473 0.915 0.923 0.769 CB 1.609 14 residues pruned to eliminate duplicates S: 11 31.007 2.360 0.727 0.880 1.000 0.700 CA 1.744 T: 14 34.721 2.431 0.850 0.931 1.000 0.846 CB 1.496 14 residues pruned to eliminate duplicates U: 15 46.786 2.482 0.848 0.826 1.000 0.857 CA 2.057 15 residues pruned to eliminate duplicates V: 15 61.350 2.510 1.227 0.939 1.000 0.786 CA 2.038 15 residues pruned to eliminate duplicates W: 15 52.166 2.526 1.091 0.896 0.929 0.643 CA 2.036 15 residues pruned to eliminate duplicates X: 8 31.354 2.550 1.328 0.758 0.857 0.714 CB 1.851 8 residues pruned to eliminate duplicates Y: 19 48.289 2.451 0.759 0.909 1.000 0.833 CA 1.873 19 residues pruned to eliminate duplicates Z: 14 33.462 2.313 0.688 0.929 1.000 0.846 CB 1.663 14 residues pruned to eliminate duplicates Z: 20 43.559 2.259 0.801 0.927 1.000 0.842 CA 1.721 19 residues pruned to eliminate duplicates Z: 17 42.444 2.314 0.959 0.786 0.938 0.750 C 1.942 17 residues pruned to eliminate duplicates Z: 13 71.291 2.753 1.333 0.927 1.000 0.917 CA 2.245 14 residues pruned to eliminate duplicates Z: 19 46.607 2.417 0.743 0.919 1.000 0.778 CB 1.837 18 residues pruned to eliminate duplicates Z: 14 29.188 2.293 0.689 0.836 0.923 0.769 CB 1.696 14 residues pruned to eliminate duplicates Z: 20 41.907 2.326 0.678 0.915 0.947 0.789 CA 1.837 20 residues pruned to eliminate duplicates Z: 12 54.062 2.650 1.164 0.932 1.000 0.909 CB 1.986 13 residues pruned to eliminate duplicates Z: 14 41.664 2.291 1.025 0.929 1.000 0.692 CB 1.743 14 residues pruned to eliminate duplicates Z: 15 60.938 2.532 1.437 0.929 0.929 0.857 CA 1.990 15 residues pruned to eliminate duplicates Z: 17 51.384 2.417 0.995 0.947 1.000 0.812 CA 1.840 17 residues pruned to eliminate duplicates Z: 18 53.152 2.437 0.935 0.940 1.000 0.765 CA 1.898 19 residues pruned to eliminate duplicates Z: 11 28.850 2.494 0.404 0.883 1.000 0.900 CA 1.885 11 residues pruned to eliminate duplicates Z: 13 52.407 2.590 1.346 0.940 1.000 0.833 CB 1.728 13 residues pruned to eliminate duplicates Z: 14 47.148 2.607 0.834 0.922 0.923 0.692 CA 2.083 14 residues pruned to eliminate duplicates Z: 12 33.150 2.399 0.584 0.888 1.000 0.909 C 1.895 11 residues pruned to eliminate duplicates Z: 17 57.016 2.550 0.963 0.952 1.000 0.875 CB 1.961 17 residues pruned to eliminate duplicates Z: 12 33.986 2.371 0.639 0.901 1.000 0.909 C 1.883 12 residues pruned to eliminate duplicates Z: 14 61.991 2.482 1.428 0.893 1.000 0.923 CA 2.048 14 residues pruned to eliminate duplicates Z: 12 32.589 2.406 0.499 0.889 1.000 0.727 C 1.961 12 residues pruned to eliminate duplicates Z: 15 52.246 2.454 0.988 0.890 1.000 0.857 CA 2.059 15 residues pruned to eliminate duplicates Z: 19 50.086 2.390 0.912 0.944 0.944 0.833 CB 1.895 19 residues pruned to eliminate duplicates Z: 52 61.666 2.380 0.688 0.697 0.961 0.784 CB 1.869 52 residues pruned to eliminate duplicates Z: 13 37.980 2.485 0.686 0.904 1.000 0.917 CB 1.864 13 residues pruned to eliminate duplicates Z: 16 43.596 2.506 0.707 0.934 0.933 0.933 CB 1.966 16 residues pruned to eliminate duplicates Z: 15 53.599 2.504 1.202 0.904 0.929 0.714 CA 1.993 15 residues pruned to eliminate duplicates Z: 18 60.030 2.531 1.032 0.938 1.000 0.824 CA 1.969 19 residues pruned to eliminate duplicates Z: 18 52.606 2.512 0.766 0.954 1.000 1.000 CB 1.978 18 residues pruned to eliminate duplicates Z: 8 12.729 2.049 1.643 0.488 0.714 0.714 CB 1.259 Z: 12 27.509 2.316 0.527 0.859 1.000 0.727 CA 1.726 12 residues pruned to eliminate duplicates Z: 16 54.312 2.569 0.844 0.952 1.000 1.000 CA 2.039 16 residues pruned to eliminate duplicates Z: 17 49.053 2.495 0.799 0.953 1.000 1.000 CA 1.880 17 residues pruned to eliminate duplicates Z: 14 43.500 2.498 0.586 0.906 1.000 1.000 C 2.167 14 residues pruned to eliminate duplicates Z: 17 57.759 2.533 1.016 0.951 1.000 0.875 CB 1.948 17 residues pruned to eliminate duplicates Z: 13 29.663 2.205 0.637 0.896 1.000 1.000 CB 1.699 12 residues pruned to eliminate duplicates Z: 14 34.821 2.457 0.834 0.903 1.000 1.000 CB 1.527 14 residues pruned to eliminate duplicates Z: 15 46.528 2.361 1.113 0.832 1.000 0.786 C 1.872 15 residues pruned to eliminate duplicates Z: 15 55.264 2.507 1.253 0.915 0.929 0.786 CA 1.991 14 residues pruned to eliminate duplicates Z: 16 54.214 2.616 0.730 0.953 1.000 0.933 CB 2.129 16 residues pruned to eliminate duplicates Z: 16 54.187 2.381 1.204 0.905 0.933 0.800 CA 2.032 16 residues pruned to eliminate duplicates Z: 14 51.848 2.462 1.274 0.920 0.923 0.846 CA 1.960 14 residues pruned to eliminate duplicates Z: 20 46.567 2.340 0.929 0.894 0.947 0.789 CB 1.791 20 residues pruned to eliminate duplicates Z: 14 38.897 2.272 1.318 0.915 1.000 0.846 CB 1.448 14 residues pruned to eliminate duplicates Z: 11 33.844 2.248 0.893 0.903 1.000 0.700 CA 1.792 11 residues pruned to eliminate duplicates Z: 19 46.396 2.467 0.734 0.924 1.000 0.833 CA 1.796 19 residues pruned to eliminate duplicates Z: 13 38.537 2.543 1.000 0.924 0.917 0.917 CB 1.676 13 residues pruned to eliminate duplicates Z: 10 32.811 2.590 0.405 0.912 1.000 1.000 CA 2.128 12 residues pruned to eliminate duplicates Z: 29 32.321 2.318 0.711 0.509 0.929 0.607 CB 1.643 8 residues pruned to eliminate duplicates Z: 15 44.596 2.408 1.297 0.790 0.929 0.786 CA 1.799 15 residues pruned to eliminate duplicates Z: 17 48.066 2.419 0.875 0.929 1.000 0.750 CB 1.853 17 residues pruned to eliminate duplicates Z: 14 43.011 2.421 0.951 0.899 0.923 0.769 C 1.955 14 residues pruned to eliminate duplicates Z: 10 39.134 2.585 0.803 0.885 1.000 0.889 CA 2.020 10 residues pruned to eliminate duplicates Z: 14 42.350 2.371 1.464 0.935 0.923 0.615 CB 1.518 14 residues pruned to eliminate duplicates Z: 14 51.716 2.523 1.243 0.929 0.923 0.923 CA 1.921 14 residues pruned to eliminate duplicates Z: 18 50.564 2.489 0.704 0.939 1.000 0.941 CA 2.008 18 residues pruned to eliminate duplicates Z: 15 43.372 2.424 1.009 0.817 0.929 0.714 C 1.946 15 residues pruned to eliminate duplicates Z: 14 39.403 2.299 0.874 0.939 1.000 0.846 CB 1.763 14 residues pruned to eliminate duplicates Z: 12 20.962 2.139 0.413 0.885 1.000 0.909 CA 1.510 12 residues pruned to eliminate duplicates Z: 22 35.016 2.394 0.868 0.577 0.952 0.714 CB 1.665 25 residues pruned to eliminate duplicates Z: 14 40.051 2.327 0.866 0.938 1.000 0.923 CA 1.778 14 residues pruned to eliminate duplicates Z: 11 27.140 2.243 0.808 0.862 1.000 0.800 CA 1.554 11 residues pruned to eliminate duplicates Z: 14 46.537 2.425 1.240 0.909 1.000 1.000 CB 1.686 14 residues pruned to eliminate duplicates Z: 39 50.894 2.558 0.879 0.506 0.868 0.526 CB 1.967 41 residues pruned to eliminate duplicates Z: 19 46.020 2.437 0.679 0.930 1.000 0.889 CA 1.854 19 residues pruned to eliminate duplicates Z: 12 26.841 2.106 0.880 0.881 0.909 0.636 CA 1.628 12 residues pruned to eliminate duplicates Z: 64 53.167 2.444 0.751 0.484 0.825 0.619 CB 1.928 64 residues pruned to eliminate duplicates Z: 18 45.092 2.480 0.614 0.928 1.000 0.882 CB 1.913 18 residues pruned to eliminate duplicates Z: 13 36.023 2.445 1.000 0.939 0.917 0.750 CB 1.612 13 residues pruned to eliminate duplicates Z: 39 44.057 2.485 0.889 0.490 0.842 0.447 CB 1.826 34 residues pruned to eliminate duplicates Z: 13 47.838 2.531 1.265 0.916 0.917 0.917 CA 1.856 13 residues pruned to eliminate duplicates Z: 12 24.657 2.086 0.881 0.877 1.000 0.727 CA 1.376 12 residues pruned to eliminate duplicates Z: 17 51.676 2.444 0.914 0.937 1.000 0.938 CB 1.921 17 residues pruned to eliminate duplicates Z: 12 40.724 2.409 0.831 0.890 1.000 0.909 CA 2.003 12 residues pruned to eliminate duplicates Z: 12 45.782 2.635 0.979 0.882 0.909 0.636 C 2.107 12 residues pruned to eliminate duplicates Z: 12 26.741 2.179 0.927 0.865 1.000 0.818 CA 1.407 12 residues pruned to eliminate duplicates Z: 13 33.107 2.447 0.553 0.934 1.000 0.917 CB 1.754 13 residues pruned to eliminate duplicates Z: 52 67.063 2.403 0.857 0.705 0.941 0.765 CB 1.854 53 residues pruned to eliminate duplicates Z: 33 28.523 2.355 0.658 0.436 0.844 0.562 CB 1.635 33 residues pruned to eliminate duplicates Z: 18 60.987 2.512 1.095 0.936 1.000 0.824 CB 1.957 18 residues pruned to eliminate duplicates Z: 25 26.747 2.087 0.753 0.543 0.875 0.708 CB 1.635 Z: 12 25.835 2.105 0.511 0.892 1.000 0.818 C 1.759 12 residues pruned to eliminate duplicates Z: 14 46.810 2.419 1.269 0.850 0.923 0.769 CA 1.899 14 residues pruned to eliminate duplicates Z: 12 24.243 2.116 0.589 0.895 1.000 0.727 CA 1.559 12 residues pruned to eliminate duplicates Z: 19 28.887 2.071 0.700 0.831 0.889 0.722 CA 1.634 19 residues pruned to eliminate duplicates Z: 23 25.993 2.262 0.723 0.378 0.864 0.545 CB 1.876 18 residues pruned to eliminate duplicates Z: 15 50.291 2.355 1.352 0.915 0.929 0.857 CA 1.847 15 residues pruned to eliminate duplicates Z: 6 9.090 2.003 0.102 0.750 1.000 0.600 CA 1.473 6 residues pruned to eliminate duplicates Z: 75 57.088 2.270 0.791 0.518 0.905 0.635 CB 1.772 71 residues pruned to eliminate duplicates Z: 42 41.702 2.452 0.646 0.470 0.878 0.610 CB 1.895 42 residues pruned to eliminate duplicates Z: 14 31.765 2.049 1.057 0.924 1.000 0.769 CB 1.468 Z: 24 30.991 2.340 0.884 0.573 0.870 0.609 CB 1.570 24 residues pruned to eliminate duplicates Z: 14 14.655 2.312 0.432 0.421 0.769 0.462 CB 1.733 4 residues pruned to eliminate duplicates Z: 12 18.698 2.141 0.402 0.886 1.000 0.909 CA 1.355 12 residues pruned to eliminate duplicates Z: 37 59.668 2.380 0.865 0.717 0.944 0.778 CB 1.950 37 residues pruned to eliminate duplicates Z: 13 35.264 2.183 1.027 0.896 1.000 0.833 CB 1.648 13 residues pruned to eliminate duplicates Z: 14 33.044 2.177 0.890 0.891 1.000 0.846 CB 1.602 15 residues pruned to eliminate duplicates Z: 14 46.168 2.383 1.170 0.853 0.923 0.769 C 1.984 14 residues pruned to eliminate duplicates Z: 12 20.031 2.162 0.401 0.895 0.909 0.818 CA 1.572 12 residues pruned to eliminate duplicates Z: 7 10.655 1.867 1.314 0.536 0.833 0.500 CB 1.166 7 residues pruned to eliminate duplicates Z: 14 27.286 2.318 0.415 0.931 1.000 0.923 CB 1.613 14 residues pruned to eliminate duplicates Z: 14 26.587 2.128 0.713 0.889 1.000 0.923 CB 1.456 14 residues pruned to eliminate duplicates Z: 18 26.126 2.064 0.567 0.873 1.000 0.824 CB 1.427 Z: 17 34.643 2.246 0.657 0.942 1.000 0.875 CB 1.614 18 residues pruned to eliminate duplicates Z: 19 46.097 2.383 0.830 0.923 1.000 0.778 CA 1.751 19 residues pruned to eliminate duplicates Z: 28 54.469 2.481 0.862 0.671 0.963 0.815 CB 2.013 28 residues pruned to eliminate duplicates Z: 12 41.040 2.666 0.651 0.937 1.000 1.000 CB 1.956 12 residues pruned to eliminate duplicates Z: 13 37.116 2.218 1.156 0.912 1.000 0.917 CB 1.587 13 residues pruned to eliminate duplicates Z: 13 26.250 2.461 0.235 0.923 1.000 0.917 CB 1.752 13 residues pruned to eliminate duplicates Z: 32 39.845 2.452 1.075 0.474 0.806 0.516 CB 1.790 32 residues pruned to eliminate duplicates Z: 12 47.611 2.664 0.965 0.929 1.000 1.000 CB 1.919 12 residues pruned to eliminate duplicates Z: 53 69.667 2.460 0.870 0.708 0.962 0.846 CB 1.809 66 residues pruned to eliminate duplicates Z: 13 24.554 2.197 0.973 0.563 0.917 0.667 C 1.678 13 residues pruned to eliminate duplicates Z: 17 30.606 2.221 0.516 0.944 1.000 0.938 CB 1.574 17 residues pruned to eliminate duplicates Z: 13 43.933 2.418 0.928 0.925 1.000 0.750 CA 1.910 13 residues pruned to eliminate duplicates Z: 14 51.864 2.513 1.252 0.847 0.923 0.846 C 2.044 14 residues pruned to eliminate duplicates Z: 15 29.262 2.016 0.794 0.891 0.929 0.786 CB 1.675 15 residues pruned to eliminate duplicates Z: 16 25.823 2.127 0.322 0.932 1.000 1.000 CB 1.656 16 residues pruned to eliminate duplicates Z: 19 35.145 2.130 0.846 0.853 0.944 0.778 CA 1.649 19 residues pruned to eliminate duplicates Z: 19 20.028 2.227 0.737 0.497 0.833 0.556 CB 1.469 19 residues pruned to eliminate duplicates Z: 26 27.792 2.351 0.848 0.479 0.800 0.600 CB 1.633 26 residues pruned to eliminate duplicates Z: 18 59.514 2.433 1.149 0.915 1.000 0.706 CA 1.951 18 residues pruned to eliminate duplicates Z: 19 32.571 2.177 0.731 0.788 0.944 0.722 CB 1.675 19 residues pruned to eliminate duplicates Z: 30 29.433 2.151 0.695 0.525 0.897 0.517 CB 1.633 22 residues pruned to eliminate duplicates Z: 35 55.167 2.430 0.926 0.674 0.912 0.706 CB 1.888 35 residues pruned to eliminate duplicates Z: 18 32.517 2.142 0.650 0.942 1.000 0.882 CB 1.547 17 residues pruned to eliminate duplicates Z: 15 57.913 2.475 1.419 0.914 0.929 0.571 CA 1.968 15 residues pruned to eliminate duplicates Z: 26 30.546 2.189 0.896 0.503 0.960 0.600 CB 1.529 31 residues pruned to eliminate duplicates Z: 29 46.782 2.372 0.846 0.635 0.929 0.714 CB 1.917 29 residues pruned to eliminate duplicates Z: 18 33.177 2.122 0.761 0.912 1.000 0.706 CB 1.525 18 residues pruned to eliminate duplicates Z: 14 23.676 1.964 0.998 0.540 1.000 0.615 C 1.609 14 residues pruned to eliminate duplicates Z: 52 65.336 2.456 0.780 0.691 0.961 0.784 CB 1.829 52 residues pruned to eliminate duplicates Z: 58 44.467 2.266 0.936 0.448 0.877 0.509 CB 1.615 58 residues pruned to eliminate duplicates Z: 52 75.872 2.470 0.986 0.700 0.980 0.784 CB 1.842 52 residues pruned to eliminate duplicates Z: 18 28.597 2.224 0.562 0.802 0.882 0.824 CA 1.737 18 residues pruned to eliminate duplicates Z: 27 40.883 2.394 0.946 0.544 0.885 0.615 CB 1.863 29 residues pruned to eliminate duplicates Z: 18 33.089 2.142 0.678 0.942 1.000 1.000 CB 1.549 18 residues pruned to eliminate duplicates Z: 14 29.455 2.195 0.585 0.898 1.000 1.000 CB 1.680 14 residues pruned to eliminate duplicates Z: 24 28.869 2.229 0.854 0.490 0.870 0.609 CB 1.692 24 residues pruned to eliminate duplicates Z: 18 34.225 2.165 0.788 0.844 0.941 0.941 CA 1.695 18 residues pruned to eliminate duplicates Z: 15 35.521 2.258 0.844 0.885 0.857 0.643 C 1.921 15 residues pruned to eliminate duplicates Z: 18 31.148 2.112 0.587 0.938 1.000 0.882 CB 1.568 18 residues pruned to eliminate duplicates Z: 33 32.570 2.343 0.816 0.423 0.812 0.500 CB 1.805 31 residues pruned to eliminate duplicates Z: 59 57.770 2.474 0.859 0.485 0.879 0.603 CB 1.904 59 residues pruned to eliminate duplicates Z: 14 27.224 2.150 0.684 0.921 1.000 0.923 CB 1.467 Z: 15 56.067 2.488 1.193 0.911 1.000 0.786 CA 1.947 15 residues pruned to eliminate duplicates Z: 6 7.665 1.735 0.326 0.857 1.000 0.800 CA 1.098 6 residues pruned to eliminate duplicates Z: 27 28.629 2.284 0.836 0.493 0.885 0.615 CB 1.523 27 residues pruned to eliminate duplicates Z: 17 28.857 2.102 0.625 0.935 1.000 0.938 CB 1.472 17 residues pruned to eliminate duplicates Z: 18 29.500 2.079 0.631 0.935 1.000 0.882 CB 1.470 18 residues pruned to eliminate duplicates Z: 18 33.850 2.237 0.653 0.830 0.941 0.824 CA 1.773 18 residues pruned to eliminate duplicates Z: 12 19.106 1.815 1.014 0.632 1.000 0.818 C 1.393 12 residues pruned to eliminate duplicates Z: 8 5.013 1.704 -0.042 0.612 0.714 0.571 CB 1.462 8 residues pruned to eliminate duplicates Z: 18 36.306 2.071 0.965 0.944 1.000 0.824 CB 1.499 18 residues pruned to eliminate duplicates Z: 13 41.987 2.456 0.737 0.931 1.000 0.917 CA 1.984 13 residues pruned to eliminate duplicates Z: 14 32.489 2.216 0.898 0.912 1.000 0.692 CB 1.518 14 residues pruned to eliminate duplicates Z: 18 29.459 2.118 0.551 0.925 1.000 0.941 CB 1.525 18 residues pruned to eliminate duplicates Z: 61 58.925 2.512 0.888 0.484 0.883 0.583 CB 1.844 61 residues pruned to eliminate duplicates Z: 17 31.594 2.215 0.544 0.938 1.000 0.812 CB 1.606 17 residues pruned to eliminate duplicates Z: 13 22.457 2.080 0.907 0.593 1.000 0.500 CB 1.495 13 residues pruned to eliminate duplicates Z: 30 43.436 2.556 0.801 0.576 0.862 0.655 CB 1.890 30 residues pruned to eliminate duplicates Z: 14 23.782 2.061 0.551 0.931 1.000 0.846 CB 1.442 14 residues pruned to eliminate duplicates Z: 13 30.800 2.447 0.534 0.916 1.000 1.000 CB 1.673 13 residues pruned to eliminate duplicates Z: 13 42.413 2.415 1.047 0.933 1.000 0.833 CB 1.728 13 residues pruned to eliminate duplicates Z: 14 22.246 2.055 0.569 0.830 1.000 0.923 CB 1.439 14 residues pruned to eliminate duplicates Z: 52 51.302 2.426 0.773 0.489 0.922 0.627 CB 1.831 52 residues pruned to eliminate duplicates Z: 37 28.286 2.288 0.572 0.409 0.833 0.500 CB 1.731 37 residues pruned to eliminate duplicates Z: 52 68.912 2.500 0.772 0.693 0.961 0.824 CB 1.901 52 residues pruned to eliminate duplicates Z: 12 11.327 1.962 0.716 0.304 0.818 0.545 CA 1.541 12 residues pruned to eliminate duplicates Z: 17 34.860 2.193 0.792 0.945 1.000 0.938 CB 1.534 17 residues pruned to eliminate duplicates Z: 6 7.797 2.162 1.078 0.561 0.800 0.600 CB 0.915 6 residues pruned to eliminate duplicates Z: 18 30.863 2.103 0.738 0.935 1.000 0.824 CB 1.427 18 residues pruned to eliminate duplicates Z: 10 6.286 2.125 0.317 0.175 0.667 0.333 CB 1.665 10 residues pruned to eliminate duplicates Z: 9 14.802 1.884 1.168 0.620 0.875 0.625 CA 1.308 Z: 43 32.873 2.413 0.701 0.400 0.833 0.548 CB 1.647 43 residues pruned to eliminate duplicates Z: 15 21.670 1.994 0.540 0.908 1.000 0.857 CB 1.340 15 residues pruned to eliminate duplicates Z: 88 66.011 2.464 0.782 0.521 0.885 0.655 CB 1.784 84 residues pruned to eliminate duplicates Z: 17 9.644 2.068 0.454 0.234 0.688 0.375 C 1.588 17 residues pruned to eliminate duplicates Z: 17 34.530 2.225 0.730 0.946 1.000 1.000 CB 1.551 17 residues pruned to eliminate duplicates Z: 8 23.099 2.261 0.603 0.877 1.000 0.857 CB 1.750 8 residues pruned to eliminate duplicates Z: 18 30.851 2.215 0.593 0.813 0.941 0.647 CA 1.715 18 residues pruned to eliminate duplicates Z: 13 23.873 2.154 0.701 0.779 0.833 0.500 CA 1.765 12 residues pruned to eliminate duplicates Z: 9 7.443 2.266 0.090 0.259 0.750 0.375 CB 1.873 9 residues pruned to eliminate duplicates Z: 17 23.256 2.237 0.431 0.811 0.812 0.812 CB 1.705 17 residues pruned to eliminate duplicates Z: 16 23.964 2.010 0.594 0.869 0.933 0.867 CB 1.512 16 residues pruned to eliminate duplicates Z: 15 27.078 2.084 0.632 0.894 1.000 1.000 CB 1.527 15 residues pruned to eliminate duplicates Z: 13 6.740 1.913 0.526 0.269 0.750 0.500 CB 1.157 13 residues pruned to eliminate duplicates Z: 40 65.593 2.482 1.052 0.667 0.974 0.795 CB 1.814 54 residues pruned to eliminate duplicates Z: 11 21.232 2.040 0.775 0.849 1.000 0.800 CA 1.375 11 residues pruned to eliminate duplicates Z: 14 36.878 2.331 0.705 0.939 1.000 0.846 CB 1.788 14 residues pruned to eliminate duplicates Z: 14 23.034 2.255 0.421 0.903 0.923 0.769 CB 1.539 14 residues pruned to eliminate duplicates Z: 18 32.260 2.221 0.727 0.834 0.882 0.706 CA 1.732 18 residues pruned to eliminate duplicates Z: 16 32.939 2.283 0.514 0.952 1.000 0.933 CB 1.695 16 residues pruned to eliminate duplicates Z: 13 23.582 2.496 0.837 0.507 0.917 0.583 CB 1.609 13 residues pruned to eliminate duplicates Z: 30 34.315 2.213 0.662 0.611 0.897 0.690 CB 1.740 30 residues pruned to eliminate duplicates Z: 18 36.150 2.150 0.828 0.945 1.000 0.824 CB 1.544 18 residues pruned to eliminate duplicates Z: 18 32.131 2.215 0.703 0.765 0.941 0.706 CA 1.735 Z: 17 31.178 2.387 0.367 0.916 1.000 0.812 CB 1.687 17 residues pruned to eliminate duplicates Z: 31 38.233 2.202 1.109 0.557 0.900 0.667 CB 1.581 25 residues pruned to eliminate duplicates Z: 36 47.746 2.527 0.792 0.511 0.914 0.686 CB 1.927 36 residues pruned to eliminate duplicates Z: 15 8.229 1.944 0.348 0.339 0.714 0.429 CB 1.401 15 residues pruned to eliminate duplicates Z: 31 45.374 2.497 1.000 0.542 0.833 0.600 CB 1.911 31 residues pruned to eliminate duplicates Z: 18 35.084 2.116 0.891 0.922 1.000 0.941 CB 1.495 18 residues pruned to eliminate duplicates Z: 20 50.715 2.373 1.021 0.897 1.000 0.895 CA 1.737 20 residues pruned to eliminate duplicates Z: 9 8.633 2.192 0.418 0.192 0.875 0.375 CA 1.622 9 residues pruned to eliminate duplicates Z: 6 7.506 2.113 0.206 0.291 1.000 0.600 C 1.664 6 residues pruned to eliminate duplicates Z: 10 16.736 2.189 0.503 0.464 1.000 0.778 CB 1.759 10 residues pruned to eliminate duplicates Z: 13 36.442 2.414 0.824 0.912 1.000 0.833 CB 1.692 13 residues pruned to eliminate duplicates Z: 14 29.713 2.257 0.546 0.912 1.000 0.846 CB 1.673 14 residues pruned to eliminate duplicates Z: 19 56.105 2.452 1.075 0.921 1.000 0.778 CA 1.829 19 residues pruned to eliminate duplicates Z: 42 60.765 2.471 0.955 0.664 0.976 0.756 CB 1.730 74 residues pruned to eliminate duplicates Z: 18 39.819 2.342 0.816 0.720 1.000 0.882 CB 1.861 18 residues pruned to eliminate duplicates Z: 12 21.208 1.951 0.821 0.660 1.000 0.818 CA 1.552 21 residues pruned to eliminate duplicates Z: 31 44.462 2.514 0.873 0.523 0.900 0.667 CB 1.872 31 residues pruned to eliminate duplicates Z: 16 44.637 2.428 0.640 0.938 1.000 1.000 CB 2.011 16 residues pruned to eliminate duplicates Z: 22 26.240 2.153 0.650 0.665 0.905 0.667 CB 1.529 Z: 40 52.898 2.323 0.865 0.679 0.923 0.718 CB 1.796 40 residues pruned to eliminate duplicates Z: 14 30.030 2.140 0.697 0.888 1.000 0.769 CB 1.653 17 residues pruned to eliminate duplicates Z: 18 42.008 2.218 0.904 0.859 1.000 0.824 CA 1.775 18 residues pruned to eliminate duplicates Z: 17 31.790 2.094 0.821 0.934 1.000 0.688 CB 1.453 17 residues pruned to eliminate duplicates Z: 30 52.015 2.385 0.830 0.659 1.000 0.759 CB 1.909 30 residues pruned to eliminate duplicates Z: 56 50.583 2.448 0.700 0.502 0.891 0.636 CB 1.837 56 residues pruned to eliminate duplicates Z: 31 21.333 2.044 0.714 0.394 0.867 0.500 CB 1.434 31 residues pruned to eliminate duplicates Z: 90 82.122 2.423 0.963 0.602 0.899 0.640 CB 1.847 90 residues pruned to eliminate duplicates Z: 18 30.552 2.098 0.711 0.846 0.941 0.824 CB 1.630 18 residues pruned to eliminate duplicates Z: 51 66.619 2.398 0.853 0.718 0.940 0.820 CB 1.852 51 residues pruned to eliminate duplicates Z: 18 38.694 2.216 0.766 0.856 1.000 0.765 CA 1.768 18 residues pruned to eliminate duplicates Z: 6 20.164 2.089 1.161 0.700 1.000 1.000 CA 1.665 6 residues pruned to eliminate duplicates Z: 13 41.270 2.498 1.004 0.929 1.000 0.667 CB 1.665 13 residues pruned to eliminate duplicates Z: 8 13.113 2.376 0.568 0.874 0.857 0.714 CB 1.129 Z: 18 28.635 2.142 0.634 0.779 1.000 0.765 CB 1.551 17 residues pruned to eliminate duplicates Z: 7 8.400 2.070 0.867 0.242 0.667 0.333 C 1.795 6 residues pruned to eliminate duplicates Z: 6 7.351 1.681 -0.015 0.807 1.000 0.600 N 1.519 6 residues pruned to eliminate duplicates Z: 20 40.507 2.541 0.803 0.621 0.895 0.737 CB 2.022 20 residues pruned to eliminate duplicates Z: 51 52.694 2.451 0.931 0.494 0.880 0.540 CB 1.801 51 residues pruned to eliminate duplicates Z: 22 27.122 2.221 0.839 0.466 0.905 0.571 CB 1.657 22 residues pruned to eliminate duplicates Z: 18 27.135 2.173 0.571 0.816 0.882 0.824 CB 1.661 18 residues pruned to eliminate duplicates Z: 32 46.246 2.362 0.989 0.633 0.968 0.677 CB 1.612 30 residues pruned to eliminate duplicates Z: 15 47.611 2.412 1.229 0.874 0.929 0.786 CA 1.856 15 residues pruned to eliminate duplicates Z: 31 49.220 2.327 0.939 0.619 0.933 0.667 CB 1.908 31 residues pruned to eliminate duplicates Z: 18 39.614 2.621 1.097 0.513 0.824 0.706 CA 2.095 18 residues pruned to eliminate duplicates Z: 27 31.327 2.342 0.822 0.511 0.923 0.500 CB 1.543 27 residues pruned to eliminate duplicates Z: 6 12.702 2.146 0.252 0.618 1.000 1.000 C 1.893 6 residues pruned to eliminate duplicates Z: 9 4.725 1.974 0.656 0.376 0.750 0.500 CB 0.777 Z: 15 20.037 2.397 0.669 0.358 0.786 0.571 CB 1.985 15 residues pruned to eliminate duplicates Z: 22 21.901 2.117 0.838 0.388 0.952 0.571 CB 1.452 22 residues pruned to eliminate duplicates Z: 42 43.539 2.427 0.732 0.528 0.878 0.561 CB 1.792 42 residues pruned to eliminate duplicates Z: 30 24.847 2.124 0.906 0.403 0.793 0.483 CB 1.590 30 residues pruned to eliminate duplicates Z: 11 16.687 2.594 0.760 0.186 0.800 0.600 CB 2.107 11 residues pruned to eliminate duplicates Z: 8 12.488 1.806 1.463 0.674 0.857 0.571 CB 1.054 9 residues pruned to eliminate duplicates Z: 8 19.223 2.472 0.747 0.484 0.857 0.714 C 1.996 8 residues pruned to eliminate duplicates Z: 12 17.827 2.188 0.153 0.921 1.000 1.000 CB 1.499 12 residues pruned to eliminate duplicates Z: 14 54.937 2.513 1.158 0.926 1.000 1.000 CA 1.971 14 residues pruned to eliminate duplicates Z: 59 52.787 2.539 0.795 0.478 0.879 0.621 CB 1.768 59 residues pruned to eliminate duplicates Z: 23 34.772 2.103 0.769 0.699 1.000 0.682 CA 1.663 23 residues pruned to eliminate duplicates Z: 10 15.541 2.324 0.485 0.373 0.889 0.556 CA 1.934 10 residues pruned to eliminate duplicates Z: 16 24.741 2.214 0.553 0.648 0.933 0.733 CB 1.733 16 residues pruned to eliminate duplicates Z: 18 38.931 2.230 0.898 0.848 0.941 0.765 CA 1.759 18 residues pruned to eliminate duplicates Z: 13 26.914 2.419 0.334 0.795 0.917 0.833 CA 2.027 13 residues pruned to eliminate duplicates Z: 12 23.786 1.957 0.727 0.842 1.000 0.818 CA 1.581 12 residues pruned to eliminate duplicates Z: 20 45.460 2.488 0.882 0.594 0.947 0.632 CA 2.150 20 residues pruned to eliminate duplicates Z: 13 23.986 2.197 0.496 0.877 1.000 1.000 CB 1.530 13 residues pruned to eliminate duplicates 6 1.159 1.249 0.039 0.441 0.600 0.600 N 0.707 ? Z: 78 64.103 2.404 0.802 0.517 0.922 0.675 CB 1.798 79 residues pruned to eliminate duplicates Z: 30 39.884 2.540 0.748 0.533 0.862 0.690 CB 1.872 30 residues pruned to eliminate duplicates Z: 56 62.831 2.374 0.927 0.653 0.927 0.655 CB 1.732 86 residues pruned to eliminate duplicates Z: 27 45.666 2.533 0.889 0.611 0.885 0.615 CB 1.905 27 residues pruned to eliminate duplicates Z: 34 37.856 2.198 0.883 0.566 0.939 0.636 CB 1.590 Z: 47 62.000 2.423 0.762 0.699 0.935 0.761 CB 1.911 47 residues pruned to eliminate duplicates Z: 7 5.980 2.005 0.579 0.442 1.000 0.833 CB 0.819 7 residues pruned to eliminate duplicates Z: 25 31.786 2.275 0.822 0.507 0.958 0.583 CB 1.621 25 residues pruned to eliminate duplicates Z: 12 13.232 2.192 0.658 0.373 0.818 0.636 CB 1.536 12 residues pruned to eliminate duplicates Z: 10 3.865 1.947 0.345 0.331 0.556 0.444 CB 1.066 10 residues pruned to eliminate duplicates Z: 6 2.655 1.296 -0.074 0.731 1.000 1.000 CB 0.804 6 residues pruned to eliminate duplicates Z: 16 30.394 2.213 0.532 0.933 1.000 0.933 CB 1.615 16 residues pruned to eliminate duplicates Z: 7 4.179 1.677 0.022 0.452 0.833 0.500 CA 1.255 7 residues pruned to eliminate duplicates Z: 6 7.642 1.934 0.289 0.573 0.800 0.400 O 1.596 6 residues pruned to eliminate duplicates Z: 8 20.414 2.470 0.854 0.489 0.857 0.714 CB 1.987 8 residues pruned to eliminate duplicates Z: 14 31.116 2.714 0.938 0.355 0.846 0.615 CB 2.269 14 residues pruned to eliminate duplicates Z: 62 56.585 2.542 0.756 0.475 0.885 0.607 CB 1.880 62 residues pruned to eliminate duplicates Z: 34 48.058 2.287 0.814 0.682 0.939 0.667 CB 1.816 34 residues pruned to eliminate duplicates Z: 19 26.005 2.144 0.861 0.505 0.944 0.556 CB 1.619 19 residues pruned to eliminate duplicates Z: 12 25.180 2.191 0.658 0.909 1.000 1.000 CB 1.484 18 residues pruned to eliminate duplicates Z: 14 37.202 2.154 0.988 0.932 1.000 0.692 CB 1.683 14 residues pruned to eliminate duplicates Z: 62 50.988 2.505 0.667 0.483 0.885 0.607 CB 1.796 62 residues pruned to eliminate duplicates Z: 45 69.224 2.463 1.080 0.651 0.977 0.773 CB 1.812 73 residues pruned to eliminate duplicates Z: 13 12.493 2.290 0.371 0.365 0.833 0.667 CB 1.594 13 residues pruned to eliminate duplicates Z: 9 17.505 2.131 0.840 0.430 1.000 0.625 C 1.697 9 residues pruned to eliminate duplicates Z: 16 21.841 2.113 1.001 0.384 0.933 0.400 CB 1.616 16 residues pruned to eliminate duplicates Z: 17 46.740 2.463 0.904 0.735 1.000 0.938 C 2.017 17 residues pruned to eliminate duplicates Z: 22 30.753 2.187 0.602 0.735 0.905 0.810 CA 1.714 22 residues pruned to eliminate duplicates Z: 13 25.884 2.035 1.141 0.589 1.000 0.667 CB 1.575 13 residues pruned to eliminate duplicates Z: 8 5.311 1.820 0.565 0.313 0.714 0.571 CB 1.213 8 residues pruned to eliminate duplicates Z: 7 8.821 2.040 0.176 0.495 1.000 0.667 CB 1.508 7 residues pruned to eliminate duplicates Z: 35 62.230 2.501 0.862 0.712 0.971 0.824 CB 1.949 35 residues pruned to eliminate duplicates Z: 36 48.442 2.370 0.781 0.652 0.943 0.800 CB 1.785 36 residues pruned to eliminate duplicates Z: 31 49.180 2.432 0.566 0.752 1.000 0.833 CB 1.883 31 residues pruned to eliminate duplicates Z: 12 29.845 2.100 1.081 0.912 1.000 0.909 CA 1.459 12 residues pruned to eliminate duplicates Z: 15 19.414 2.104 0.606 0.433 1.000 0.643 CB 1.645 15 residues pruned to eliminate duplicates Z: 41 50.358 2.473 0.851 0.545 0.875 0.500 CB 1.902 41 residues pruned to eliminate duplicates Z: 7 2.569 1.416 0.374 0.252 0.833 0.500 CB 0.860 7 residues pruned to eliminate duplicates Z: 16 29.241 2.077 0.756 0.918 0.933 0.867 CB 1.564 16 residues pruned to eliminate duplicates Z: 12 27.185 2.199 0.953 0.578 1.000 0.909 CB 1.770 12 residues pruned to eliminate duplicates Z: 12 30.688 2.202 1.065 0.899 1.000 0.909 CB 1.455 Z: 16 27.013 2.206 0.521 0.933 1.000 0.933 CB 1.450 16 residues pruned to eliminate duplicates Z: 12 17.720 2.217 0.791 0.337 0.909 0.545 CA 1.768 10 residues pruned to eliminate duplicates Z: 26 51.077 2.320 0.900 0.778 0.960 0.840 CA 1.889 26 residues pruned to eliminate duplicates Z: 17 16.576 2.222 0.481 0.408 0.812 0.625 C 1.709 17 residues pruned to eliminate duplicates Z: 13 21.761 2.068 0.617 0.899 1.000 1.000 CB 1.344 12 residues pruned to eliminate duplicates Z: 10 17.991 2.087 0.622 0.718 1.000 0.778 CB 1.454 10 residues pruned to eliminate duplicates Z: 12 13.165 1.971 0.401 0.403 1.000 0.818 C 1.592 12 residues pruned to eliminate duplicates Z: 17 19.593 2.072 0.525 0.414 0.938 0.625 CB 1.809 17 residues pruned to eliminate duplicates Z: 15 29.156 2.300 0.596 0.813 1.000 0.857 CB 1.617 13 residues pruned to eliminate duplicates Z: 37 55.724 2.493 0.775 0.699 0.944 0.806 CB 1.854 37 residues pruned to eliminate duplicates Z: 8 14.298 2.308 0.767 0.362 0.857 0.571 CB 1.793 8 residues pruned to eliminate duplicates Z: 36 52.844 2.461 0.705 0.694 0.943 0.800 CB 1.891 36 residues pruned to eliminate duplicates Z: 6 3.849 2.281 0.355 0.435 0.600 0.600 CB 0.992 6 residues pruned to eliminate duplicates Z: 29 43.264 2.349 0.804 0.648 0.929 0.714 CB 1.809 29 residues pruned to eliminate duplicates Z: 7 3.466 1.258 0.656 0.502 1.000 0.667 CB 0.678 Z: 7 6.174 1.616 0.527 0.445 0.833 0.667 CA 1.298 7 residues pruned to eliminate duplicates Z: 10 28.059 2.271 0.850 0.896 1.000 0.778 CA 1.594 10 residues pruned to eliminate duplicates Z: 11 7.870 1.830 0.315 0.365 0.800 0.400 CB 1.494 11 residues pruned to eliminate duplicates Z: 34 44.611 2.344 0.713 0.654 0.939 0.818 CB 1.784 34 residues pruned to eliminate duplicates Z: 19 53.922 2.580 1.301 0.602 0.944 0.556 CA 2.058 19 residues pruned to eliminate duplicates Z: 9 7.180 2.063 0.473 0.093 0.875 0.625 C 1.608 9 residues pruned to eliminate duplicates Z: 11 31.924 2.257 0.922 0.927 1.000 0.700 CA 1.631 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 19 30.748 2.031 0.820 0.834 0.889 0.611 CB 1.654 19 residues pruned to eliminate duplicates Z: 51 70.429 2.432 0.797 0.711 0.960 0.760 CB 1.960 51 residues pruned to eliminate duplicates Z: 51 69.983 2.427 0.752 0.718 0.980 0.720 CB 1.950 51 residues pruned to eliminate duplicates Z: 54 67.444 2.374 0.787 0.678 0.981 0.717 CB 1.890 54 residues pruned to eliminate duplicates Z: 53 65.909 2.389 0.812 0.676 0.942 0.654 CB 1.905 53 residues pruned to eliminate duplicates Z: 18 42.599 2.213 1.032 0.840 1.000 0.647 CA 1.715 18 residues pruned to eliminate duplicates Z: 52 63.837 2.373 0.777 0.701 0.941 0.784 CB 1.875 52 residues pruned to eliminate duplicates Z: 24 37.989 2.202 0.877 0.648 0.913 0.652 CB 1.827 24 residues pruned to eliminate duplicates Z: 51 70.685 2.423 0.817 0.720 0.960 0.720 CB 1.938 51 residues pruned to eliminate duplicates Z: 51 68.844 2.410 0.763 0.715 0.980 0.780 CB 1.923 51 residues pruned to eliminate duplicates Z: 51 68.965 2.419 0.802 0.700 0.960 0.700 CB 1.943 51 residues pruned to eliminate duplicates Z: 54 67.148 2.386 0.810 0.677 0.943 0.717 CB 1.924 54 residues pruned to eliminate duplicates Z: 51 70.920 2.429 0.768 0.709 0.980 0.720 CB 1.971 51 residues pruned to eliminate duplicates Z: 52 66.213 2.405 0.727 0.711 0.961 0.784 CB 1.918 52 residues pruned to eliminate duplicates Z: 27 31.627 2.204 0.772 0.595 0.885 0.769 CA 1.640 27 residues pruned to eliminate duplicates Z: 51 69.298 2.382 0.882 0.697 0.980 0.680 CB 1.864 51 residues pruned to eliminate duplicates Z: 52 58.653 2.399 0.635 0.687 0.941 0.824 CB 1.875 52 residues pruned to eliminate duplicates Z: 51 70.615 2.407 0.842 0.730 0.960 0.760 CB 1.907 51 residues pruned to eliminate duplicates Z: 35 49.042 2.427 0.710 0.644 0.941 0.765 CB 1.881 35 residues pruned to eliminate duplicates Z: 51 62.465 2.405 0.718 0.705 0.940 0.740 CB 1.888 51 residues pruned to eliminate duplicates Z: 51 68.490 2.422 0.768 0.723 0.960 0.780 CB 1.926 51 residues pruned to eliminate duplicates Z: 16 40.299 2.359 0.881 0.793 1.000 0.867 CB 1.813 16 residues pruned to eliminate duplicates Z: 33 50.829 2.468 0.641 0.698 0.969 0.812 CB 1.912 33 residues pruned to eliminate duplicates Z: 51 71.307 2.418 0.824 0.721 0.980 0.800 CB 1.910 51 residues pruned to eliminate duplicates Z: 52 71.087 2.402 0.878 0.716 0.941 0.784 CB 1.928 52 residues pruned to eliminate duplicates Z: 14 37.355 2.320 0.789 0.920 1.000 0.692 CB 1.758 14 residues pruned to eliminate duplicates Z: 62 59.266 2.283 0.851 0.625 0.902 0.721 CB 1.770 62 residues pruned to eliminate duplicates Z: 54 68.758 2.406 0.911 0.703 0.925 0.755 CB 1.847 54 residues pruned to eliminate duplicates Z: 52 70.424 2.379 0.915 0.706 0.941 0.784 CB 1.907 52 residues pruned to eliminate duplicates Z: 52 68.804 2.403 0.822 0.715 0.961 0.784 CB 1.885 52 residues pruned to eliminate duplicates Z: 51 69.652 2.447 0.774 0.721 0.960 0.760 CB 1.936 51 residues pruned to eliminate duplicates Z: 54 64.543 2.368 0.798 0.699 0.943 0.830 CB 1.840 54 residues pruned to eliminate duplicates Z: 51 70.188 2.441 0.798 0.713 0.960 0.700 CB 1.942 51 residues pruned to eliminate duplicates Z: 36 56.689 2.458 1.029 0.645 0.886 0.686 CB 1.893 36 residues pruned to eliminate duplicates Z: 63 64.190 2.340 0.827 0.647 0.935 0.726 CB 1.777 63 residues pruned to eliminate duplicates Z: 52 65.742 2.408 0.814 0.702 0.922 0.765 CB 1.903 52 residues pruned to eliminate duplicates Z: 53 60.000 2.326 0.795 0.660 0.962 0.712 CB 1.787 53 residues pruned to eliminate duplicates Z: 32 62.291 2.474 0.912 0.710 0.968 0.774 CB 2.020 32 residues pruned to eliminate duplicates Z: 52 66.546 2.392 0.799 0.699 0.961 0.784 CB 1.880 52 residues pruned to eliminate duplicates Z: 32 56.268 2.380 0.916 0.710 0.968 0.774 CB 1.892 32 residues pruned to eliminate duplicates Z: 35 55.731 2.431 0.952 0.663 0.941 0.647 CB 1.841 35 residues pruned to eliminate duplicates Z: 31 59.996 2.402 0.922 0.728 1.000 0.767 CA 1.932 31 residues pruned to eliminate duplicates Z: 51 68.331 2.419 0.870 0.717 0.920 0.740 CB 1.908 51 residues pruned to eliminate duplicates Z: 31 64.802 2.447 1.005 0.753 1.000 0.800 CA 1.925 31 residues pruned to eliminate duplicates Z: 53 69.480 2.399 0.879 0.684 0.962 0.808 CB 1.877 53 residues pruned to eliminate duplicates Z: 52 73.168 2.365 0.968 0.715 0.980 0.765 CB 1.848 52 residues pruned to eliminate duplicates Z: 52 70.542 2.424 0.902 0.698 0.941 0.745 CB 1.899 52 residues pruned to eliminate duplicates Z: 52 75.706 2.420 0.985 0.700 0.961 0.804 CB 1.914 52 residues pruned to eliminate duplicates Z: 12 31.593 2.322 0.998 0.748 0.909 0.636 CA 1.809 12 residues pruned to eliminate duplicates Z: 81 84.290 2.465 0.804 0.664 0.950 0.750 CB 1.916 81 residues pruned to eliminate duplicates Z: 82 83.981 2.469 0.820 0.645 0.951 0.741 CB 1.908 82 residues pruned to eliminate duplicates Z: 64 69.575 2.371 0.921 0.652 0.937 0.714 CB 1.784 64 residues pruned to eliminate duplicates Z: 6 6.310 1.786 0.530 0.468 0.800 0.600 CA 1.334 6 residues pruned to eliminate duplicates Z: 11 10.980 1.946 0.991 0.347 0.800 0.300 CB 1.323 11 residues pruned to eliminate duplicates Z: 23 42.126 2.641 0.799 0.594 0.864 0.591 CB 2.001 23 residues pruned to eliminate duplicates Z: 10 19.365 2.463 1.161 0.375 0.778 0.556 CB 1.781 10 residues pruned to eliminate duplicates Z: 21 34.307 2.535 0.577 0.574 0.900 0.750 CB 1.985 21 residues pruned to eliminate duplicates Z: 21 45.271 2.667 0.794 0.584 0.900 0.750 CB 2.168 21 residues pruned to eliminate duplicates Z: 30 34.072 2.425 0.727 0.465 0.862 0.586 CB 1.817 30 residues pruned to eliminate duplicates Z: 20 46.405 2.626 0.847 0.646 0.842 0.737 CB 2.274 20 residues pruned to eliminate duplicates Z: 20 40.754 2.616 0.633 0.607 0.895 0.684 CB 2.210 20 residues pruned to eliminate duplicates Z: 21 41.935 2.604 0.704 0.588 0.900 0.750 CB 2.158 21 residues pruned to eliminate duplicates Z: 20 49.943 2.728 0.774 0.610 0.947 0.684 C 2.253 20 residues pruned to eliminate duplicates Z: 20 50.408 2.674 0.914 0.624 0.895 0.789 CA 2.248 20 residues pruned to eliminate duplicates Z: 20 44.207 2.655 0.892 0.607 0.842 0.789 CA 2.166 20 residues pruned to eliminate duplicates Z: 19 56.101 2.773 0.939 0.648 0.944 0.778 C 2.268 19 residues pruned to eliminate duplicates Z: 21 39.774 2.500 0.773 0.599 0.900 0.700 CA 2.027 21 residues pruned to eliminate duplicates Z: 19 47.824 2.681 0.798 0.629 0.944 0.611 CB 2.192 19 residues pruned to eliminate duplicates Z: 19 56.248 2.769 0.971 0.624 0.944 0.722 CA 2.287 19 residues pruned to eliminate duplicates Z: 20 53.404 2.673 1.162 0.608 0.895 0.684 C 2.138 20 residues pruned to eliminate duplicates Z: 29 45.853 2.497 0.971 0.549 0.857 0.750 CB 1.958 29 residues pruned to eliminate duplicates Z: 18 54.401 2.681 0.871 0.702 1.000 0.824 C 2.189 18 residues pruned to eliminate duplicates Z: 26 39.416 2.498 0.832 0.538 0.800 0.640 CB 2.074 26 residues pruned to eliminate duplicates Z: 61 58.364 2.438 0.963 0.492 0.867 0.500 CB 1.832 61 residues pruned to eliminate duplicates Z: 50 46.112 2.451 0.861 0.493 0.816 0.531 CB 1.782 50 residues pruned to eliminate duplicates Z: 60 52.379 2.453 0.845 0.484 0.847 0.525 CB 1.806 60 residues pruned to eliminate duplicates Z: 40 48.616 2.508 0.848 0.488 0.846 0.564 CB 2.008 40 residues pruned to eliminate duplicates Z: 46 50.078 2.596 0.807 0.450 0.844 0.578 CB 1.984 46 residues pruned to eliminate duplicates Z: 39 46.093 2.561 0.785 0.484 0.842 0.579 CB 1.974 39 residues pruned to eliminate duplicates Z: 48 45.481 2.437 0.798 0.450 0.872 0.553 CB 1.826 48 residues pruned to eliminate duplicates Z: 40 41.384 2.474 0.897 0.379 0.872 0.590 CB 1.844 40 residues pruned to eliminate duplicates Z: 100 88.837 2.478 0.918 0.587 0.909 0.657 CB 1.901 100 residues pruned to eliminate duplicates Z: 23 21.104 2.352 0.674 0.420 0.818 0.545 CB 1.517 23 residues pruned to eliminate duplicates Z: 33 27.164 2.409 0.732 0.388 0.781 0.406 CB 1.657 33 residues pruned to eliminate duplicates Z: 38 51.205 2.623 0.782 0.488 0.892 0.622 CB 2.044 38 residues pruned to eliminate duplicates Z: 10 12.462 2.358 0.544 0.187 0.889 0.444 CB 1.867 10 residues pruned to eliminate duplicates Z: 36 43.183 2.548 0.897 0.402 0.857 0.600 CB 1.953 36 residues pruned to eliminate duplicates Z: 83 62.288 2.453 0.722 0.520 0.878 0.695 CB 1.817 83 residues pruned to eliminate duplicates Z: 59 56.400 2.530 0.827 0.508 0.914 0.552 CB 1.740 59 residues pruned to eliminate duplicates Z: 27 29.647 2.334 0.824 0.438 0.846 0.500 CB 1.721 27 residues pruned to eliminate duplicates Z: 60 41.803 2.377 0.656 0.476 0.814 0.458 CB 1.743 60 residues pruned to eliminate duplicates Z: 65 46.409 2.371 0.694 0.478 0.891 0.547 CB 1.658 65 residues pruned to eliminate duplicates Z: 50 46.337 2.548 0.640 0.472 0.878 0.551 CB 1.856 50 residues pruned to eliminate duplicates Z: 44 35.265 2.416 0.727 0.418 0.837 0.558 CB 1.676 44 residues pruned to eliminate duplicates Z: 53 47.303 2.502 0.712 0.466 0.865 0.519 CB 1.832 53 residues pruned to eliminate duplicates Z: 43 36.004 2.397 0.707 0.411 0.905 0.571 CB 1.648 43 residues pruned to eliminate duplicates Z: 47 44.270 2.260 0.850 0.552 0.891 0.674 CB 1.666 47 residues pruned to eliminate duplicates Z: 49 37.539 2.243 0.767 0.508 0.854 0.646 CB 1.588 49 residues pruned to eliminate duplicates Z: 21 19.323 2.209 0.568 0.479 0.850 0.550 CB 1.498 21 residues pruned to eliminate duplicates Z: 68 51.516 2.403 0.816 0.416 0.881 0.537 CB 1.789 68 residues pruned to eliminate duplicates Z: 19 18.926 2.159 0.481 0.439 0.889 0.444 CB 1.672 19 residues pruned to eliminate duplicates Z: 24 32.716 2.341 1.042 0.503 0.870 0.522 CB 1.637 24 residues pruned to eliminate duplicates Z: 18 22.414 2.003 1.040 0.583 0.941 0.412 CB 1.305 18 residues pruned to eliminate duplicates Z: 89 64.709 2.345 0.926 0.498 0.852 0.557 CB 1.796 89 residues pruned to eliminate duplicates Z: 38 37.921 2.189 0.892 0.612 0.919 0.730 CB 1.472 38 residues pruned to eliminate duplicates Z: 35 39.303 2.219 0.850 0.614 0.912 0.794 CB 1.617 35 residues pruned to eliminate duplicates Z: 26 26.995 2.214 0.799 0.498 0.960 0.680 CB 1.415 26 residues pruned to eliminate duplicates Z: 26 31.588 2.287 0.860 0.542 0.920 0.560 CB 1.549 26 residues pruned to eliminate duplicates Z: 44 32.482 2.428 0.727 0.409 0.837 0.605 CB 1.552 44 residues pruned to eliminate duplicates Z: 98 85.710 2.568 0.834 0.549 0.907 0.691 CB 1.942 203 residues pruned to eliminate duplicates 6 1.843 1.473 0.926 0.246 0.600 0.200 CA 0.649 ? Z: 17 31.733 2.318 0.791 0.761 0.875 0.750 CB 1.731 17 residues pruned to eliminate duplicates Z: 54 63.248 2.408 0.860 0.663 0.962 0.717 CB 1.734 54 residues pruned to eliminate duplicates Z: 54 67.890 2.431 0.825 0.673 0.962 0.774 CB 1.861 53 residues pruned to eliminate duplicates Z: 8 6.526 2.032 0.422 0.290 0.714 0.143 C 1.512 8 residues pruned to eliminate duplicates Z: 54 65.263 2.435 0.792 0.675 0.962 0.774 CB 1.817 54 residues pruned to eliminate duplicates Z: 55 69.858 2.441 0.840 0.710 0.963 0.796 CB 1.815 52 residues pruned to eliminate duplicates Z: 6 2.385 1.650 0.350 0.287 0.800 0.800 CB 0.760 6 residues pruned to eliminate duplicates Z: 51 79.160 2.539 0.957 0.715 0.960 0.840 CB 1.931 55 residues pruned to eliminate duplicates Z: 17 50.403 2.472 1.148 0.807 1.000 0.812 CB 1.816 17 residues pruned to eliminate duplicates Z: 51 73.569 2.502 0.905 0.700 0.940 0.820 CB 1.934 51 residues pruned to eliminate duplicates Z: 36 53.002 2.515 0.870 0.654 0.886 0.686 CB 1.864 36 residues pruned to eliminate duplicates Z: 51 73.352 2.480 0.876 0.688 0.980 0.740 CB 1.914 51 residues pruned to eliminate duplicates Z: 52 66.997 2.451 0.802 0.693 0.961 0.706 CB 1.853 52 residues pruned to eliminate duplicates Z: 56 67.417 2.445 0.893 0.689 0.909 0.745 CB 1.817 56 residues pruned to eliminate duplicates Z: 85 79.227 2.463 0.820 0.604 0.940 0.714 CB 1.857 52 residues pruned to eliminate duplicates Z: 14 43.469 2.450 1.309 0.928 1.000 0.846 CB 1.493 14 residues pruned to eliminate duplicates Z: 53 73.929 2.453 0.949 0.683 0.962 0.769 CB 1.885 53 residues pruned to eliminate duplicates Z: 87 71.228 2.371 0.835 0.599 0.895 0.698 CB 1.793 81 residues pruned to eliminate duplicates Z: 13 54.150 2.589 1.427 0.939 1.000 0.833 CB 1.729 13 residues pruned to eliminate duplicates Z: 34 63.646 2.456 1.057 0.727 0.939 0.697 CB 1.903 34 residues pruned to eliminate duplicates Z: 33 67.548 2.568 1.031 0.745 0.969 0.812 CB 1.899 33 residues pruned to eliminate duplicates Z: 52 77.264 2.536 1.019 0.704 0.941 0.706 CB 1.864 52 residues pruned to eliminate duplicates Z: 52 75.226 2.492 1.013 0.683 0.961 0.804 CB 1.848 52 residues pruned to eliminate duplicates Z: 52 73.348 2.494 0.963 0.680 0.961 0.745 CB 1.851 52 residues pruned to eliminate duplicates Z: 53 75.251 2.382 0.957 0.729 1.000 0.827 CB 1.822 53 residues pruned to eliminate duplicates Z: 52 78.493 2.486 1.025 0.690 0.980 0.804 CB 1.872 52 residues pruned to eliminate duplicates Z: 53 72.761 2.452 1.037 0.677 0.942 0.692 CB 1.823 53 residues pruned to eliminate duplicates Z: 32 62.947 2.467 1.071 0.697 0.968 0.839 CB 1.910 32 residues pruned to eliminate duplicates Z: 52 82.549 2.491 1.087 0.701 0.980 0.765 CB 1.888 52 residues pruned to eliminate duplicates Z: 52 73.991 2.476 0.986 0.686 0.961 0.745 CB 1.848 52 residues pruned to eliminate duplicates Z: 54 72.251 2.433 0.993 0.653 0.962 0.736 CB 1.844 54 residues pruned to eliminate duplicates Z: 37 49.814 2.367 0.878 0.657 0.889 0.722 CB 1.816 37 residues pruned to eliminate duplicates Z: 51 82.199 2.521 1.058 0.695 0.960 0.800 CB 1.952 51 residues pruned to eliminate duplicates Z: 52 77.390 2.504 1.048 0.688 0.961 0.784 CB 1.852 52 residues pruned to eliminate duplicates Z: 51 76.305 2.493 1.033 0.692 0.940 0.780 CB 1.899 51 residues pruned to eliminate duplicates Z: 55 69.464 2.424 0.977 0.642 0.944 0.741 CB 1.829 55 residues pruned to eliminate duplicates Z: 62 64.922 2.330 0.975 0.590 0.967 0.689 CB 1.712 62 residues pruned to eliminate duplicates Z: 58 66.463 2.390 0.930 0.618 0.947 0.702 CB 1.801 58 residues pruned to eliminate duplicates Z: 23 40.985 2.297 0.900 0.540 1.000 0.682 CA 1.927 23 residues pruned to eliminate duplicates Z: 33 36.933 2.486 0.703 0.516 0.844 0.594 CB 1.799 33 residues pruned to eliminate duplicates Z: 21 40.289 2.483 0.996 0.595 0.850 0.800 CB 1.953 21 residues pruned to eliminate duplicates Z: 32 41.938 2.381 1.233 0.532 0.839 0.581 CB 1.636 32 residues pruned to eliminate duplicates Z: 27 47.584 2.517 1.163 0.573 0.846 0.692 CB 1.888 27 residues pruned to eliminate duplicates Z: 32 40.443 2.518 0.735 0.521 0.871 0.645 CB 1.869 32 residues pruned to eliminate duplicates Z: 47 39.136 2.334 0.869 0.454 0.804 0.543 CB 1.725 48 residues pruned to eliminate duplicates Z: 14 52.062 2.563 1.135 0.913 0.923 0.846 CA 2.023 14 residues pruned to eliminate duplicates Z: 17 61.476 2.673 1.100 0.760 1.000 0.875 CB 2.173 17 residues pruned to eliminate duplicates Z: 31 46.237 2.592 0.817 0.548 0.867 0.667 CB 1.974 31 residues pruned to eliminate duplicates Z: 27 46.594 2.554 1.190 0.586 0.808 0.654 CB 1.863 27 residues pruned to eliminate duplicates Z: 18 51.008 2.591 1.055 0.688 0.941 0.765 CB 2.078 18 residues pruned to eliminate duplicates Z: 19 54.127 2.599 1.176 0.631 0.944 0.611 CA 2.112 19 residues pruned to eliminate duplicates Z: 18 61.336 2.665 1.206 0.667 1.000 0.706 CB 2.168 18 residues pruned to eliminate duplicates Z: 19 53.240 2.506 1.175 0.663 1.000 0.722 CA 1.981 19 residues pruned to eliminate duplicates Z: 34 39.394 2.464 0.753 0.502 0.879 0.636 CB 1.804 34 residues pruned to eliminate duplicates Z: 19 53.673 2.594 0.990 0.695 1.000 0.611 CB 2.050 19 residues pruned to eliminate duplicates Z: 20 46.190 2.558 0.922 0.603 1.000 0.632 CB 1.953 20 residues pruned to eliminate duplicates Z: 58 50.470 2.400 0.799 0.457 0.912 0.561 CB 1.773 38 residues pruned to eliminate duplicates Z: 16 44.662 2.478 0.913 0.802 0.933 0.667 CB 2.002 16 residues pruned to eliminate duplicates Z: 17 10.893 2.292 0.446 0.303 0.688 0.312 CB 1.489 17 residues pruned to eliminate duplicates Z: 46 34.454 2.394 0.644 0.448 0.844 0.489 CB 1.629 46 residues pruned to eliminate duplicates Z: 18 12.429 2.145 0.404 0.312 0.765 0.294 CB 1.612 18 residues pruned to eliminate duplicates Z: 32 40.334 2.456 0.793 0.519 0.871 0.581 CB 1.853 32 residues pruned to eliminate duplicates Z: 45 30.327 2.278 0.626 0.438 0.864 0.500 CB 1.523 45 residues pruned to eliminate duplicates Z: 35 42.840 2.416 0.826 0.518 0.912 0.559 CB 1.795 35 residues pruned to eliminate duplicates Z: 14 17.136 2.310 0.473 0.442 0.846 0.538 CB 1.752 14 residues pruned to eliminate duplicates Z: 33 37.651 2.416 0.861 0.461 0.844 0.406 CB 1.826 33 residues pruned to eliminate duplicates Z: 41 35.995 2.348 0.758 0.482 0.825 0.575 CB 1.703 41 residues pruned to eliminate duplicates Z: 13 16.457 2.427 0.567 0.467 0.750 0.583 CB 1.723 13 residues pruned to eliminate duplicates Z: 14 13.703 2.312 0.517 0.408 0.615 0.385 CB 1.939 14 residues pruned to eliminate duplicates Z: 38 41.225 2.419 0.812 0.474 0.865 0.622 CB 1.836 38 residues pruned to eliminate duplicates Z: 16 12.729 2.277 0.464 0.281 0.733 0.533 CB 1.721 16 residues pruned to eliminate duplicates Z: 36 29.313 2.211 0.683 0.413 0.886 0.543 CB 1.647 36 residues pruned to eliminate duplicates Z: 9 10.965 2.333 0.431 0.248 0.875 0.375 CB 1.776 9 residues pruned to eliminate duplicates Z: 28 32.177 2.244 0.880 0.481 0.889 0.370 CB 1.682 28 residues pruned to eliminate duplicates Z: 21 17.829 2.114 0.661 0.308 0.850 0.300 CB 1.652 21 residues pruned to eliminate duplicates Z: 18 18.136 2.103 0.960 0.423 0.824 0.412 CB 1.404 18 residues pruned to eliminate duplicates Z: 28 28.354 2.232 0.725 0.427 0.889 0.481 CB 1.720 28 residues pruned to eliminate duplicates Z: 24 24.671 2.155 0.824 0.384 0.957 0.522 CB 1.547 24 residues pruned to eliminate duplicates Z: 20 23.212 2.249 0.839 0.406 0.895 0.526 CB 1.589 20 residues pruned to eliminate duplicates Z: 24 28.149 2.152 0.967 0.450 0.913 0.565 CB 1.599 25 residues pruned to eliminate duplicates Z: 8 7.440 1.575 0.625 0.542 0.857 0.429 CB 1.231 8 residues pruned to eliminate duplicates Z: 19 14.437 1.939 0.852 0.450 0.778 0.500 CB 1.283 19 residues pruned to eliminate duplicates Z: 54 52.079 2.373 0.881 0.515 0.887 0.585 CB 1.781 54 residues pruned to eliminate duplicates Z: 24 35.618 2.333 0.955 0.510 0.957 0.609 CB 1.686 24 residues pruned to eliminate duplicates Z: 17 12.994 1.945 0.684 0.361 0.938 0.438 CB 1.229 17 residues pruned to eliminate duplicates Z: 12 18.109 2.163 1.015 0.460 0.818 0.545 CB 1.594 12 residues pruned to eliminate duplicates Z: 8 6.983 1.965 0.740 0.394 0.714 0.571 CB 1.210 8 residues pruned to eliminate duplicates Z: 33 20.029 2.162 0.486 0.384 0.844 0.531 CB 1.478 33 residues pruned to eliminate duplicates Z: 54 48.633 2.386 0.860 0.495 0.811 0.623 CB 1.864 38 residues pruned to eliminate duplicates Z: 6 5.958 1.913 0.716 0.273 0.800 0.600 CA 1.312 6 residues pruned to eliminate duplicates Z: 30 54.660 2.427 0.815 0.668 1.000 0.759 CB 1.973 23 residues pruned to eliminate duplicates Z: 20 60.703 2.451 1.067 0.853 1.000 0.842 CA 2.032 20 residues pruned to eliminate duplicates Z: 29 53.374 2.435 0.990 0.652 0.929 0.750 CB 1.946 29 residues pruned to eliminate duplicates Z: 29 50.104 2.397 0.864 0.640 0.964 0.786 CB 1.927 29 residues pruned to eliminate duplicates Z: 31 50.616 2.340 0.837 0.655 0.967 0.767 CB 1.926 31 residues pruned to eliminate duplicates Z: 83 59.203 2.379 0.799 0.480 0.866 0.598 CB 1.801 83 residues pruned to eliminate duplicates Z: 30 53.803 2.390 0.931 0.659 0.966 0.793 CB 1.935 30 residues pruned to eliminate duplicates Z: 33 49.173 2.291 1.059 0.631 0.938 0.781 CB 1.739 33 residues pruned to eliminate duplicates Z: 29 59.316 2.451 1.016 0.647 1.000 0.750 CA 1.978 29 residues pruned to eliminate duplicates Z: 18 60.822 2.480 1.133 0.935 1.000 0.588 CA 1.943 18 residues pruned to eliminate duplicates Z: 30 51.031 2.323 1.017 0.659 0.931 0.828 CB 1.874 30 residues pruned to eliminate duplicates Z: 30 54.464 2.360 1.056 0.653 0.931 0.759 CB 1.942 30 residues pruned to eliminate duplicates Z: 29 59.805 2.443 1.003 0.690 0.964 0.821 CB 2.013 29 residues pruned to eliminate duplicates Z: 19 56.294 2.441 1.162 0.925 0.944 0.778 CA 1.868 19 residues pruned to eliminate duplicates Z: 29 52.992 2.441 0.966 0.645 0.929 0.714 CB 1.962 29 residues pruned to eliminate duplicates Z: 29 61.706 2.373 1.156 0.646 1.000 0.786 CB 1.989 29 residues pruned to eliminate duplicates Z: 29 59.958 2.445 0.994 0.650 1.000 0.857 CB 2.020 29 residues pruned to eliminate duplicates Z: 34 43.894 2.253 0.839 0.584 0.939 0.697 CA 1.810 34 residues pruned to eliminate duplicates Z: 30 46.746 2.322 0.947 0.596 0.931 0.690 CB 1.882 30 residues pruned to eliminate duplicates Z: 11 10.169 2.013 0.261 0.430 0.900 0.600 CA 1.514 11 residues pruned to eliminate duplicates Z: 29 50.840 2.433 0.902 0.641 0.929 0.786 CB 1.960 29 residues pruned to eliminate duplicates Z: 9 13.421 2.036 0.650 0.423 1.000 0.625 CA 1.531 9 residues pruned to eliminate duplicates Z: 31 44.266 2.306 0.795 0.592 0.933 0.700 CB 1.916 31 residues pruned to eliminate duplicates 240 residues left after pruning, divided into chains as follows: A: 240 CC for partial structure against native data = 31.46 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.423, Connect. = 0.772 for dens.mod. cycle 1 = 0.300, Contrast = 0.481, Connect. = 0.795 for dens.mod. cycle 2 = 0.300, Contrast = 0.569, Connect. = 0.827 for dens.mod. cycle 3 = 0.300, Contrast = 0.577, Connect. = 0.831 for dens.mod. cycle 4 = 0.300, Contrast = 0.586, Connect. = 0.835 for dens.mod. cycle 5 = 0.300, Contrast = 0.592, Connect. = 0.838 for dens.mod. cycle 6 = 0.300, Contrast = 0.598, Connect. = 0.841 for dens.mod. cycle 7 = 0.300, Contrast = 0.602, Connect. = 0.842 for dens.mod. cycle 8 = 0.300, Contrast = 0.605, Connect. = 0.844 for dens.mod. cycle 9 = 0.300, Contrast = 0.607, Connect. = 0.844 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2153 peaks > 0.5 sigma used to seed fragment search Space for about 339 unique residues taking solvent into account 429 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 41.817 2.372 0.686 0.871 1.000 0.929 C 2.038 B: 15 52.792 2.528 0.867 0.888 1.000 0.857 C 2.154 15 residues pruned to eliminate duplicates C: 15 48.760 2.555 0.737 0.889 1.000 0.857 C 2.113 15 residues pruned to eliminate duplicates D: 15 36.488 2.288 0.761 0.879 0.929 0.714 CB 1.891 15 residues pruned to eliminate duplicates E: 15 42.211 2.415 0.802 0.836 1.000 0.714 C 1.940 15 residues pruned to eliminate duplicates F: 15 42.366 2.488 0.865 0.812 0.929 0.786 C 2.003 15 residues pruned to eliminate duplicates G: 15 39.020 2.361 0.757 0.878 1.000 0.929 C 1.824 15 residues pruned to eliminate duplicates H: 83 79.882 2.414 0.888 0.632 0.915 0.720 CB 1.870 16 residues pruned to eliminate duplicates I: 14 28.051 2.309 0.797 0.839 0.846 0.692 CB 1.655 14 residues pruned to eliminate duplicates J: 13 45.913 2.562 0.911 0.795 1.000 0.833 C 2.090 13 residues pruned to eliminate duplicates K: 14 35.731 2.404 0.919 0.940 1.000 1.000 CB 1.492 L: 12 45.972 2.633 0.905 0.932 0.909 0.909 CA 2.123 M: 16 45.192 2.411 1.068 0.901 0.867 0.733 CA 1.928 12 residues pruned to eliminate duplicates N: 14 45.990 2.533 0.844 0.941 1.000 0.923 CA 1.895 16 residues pruned to eliminate duplicates O: 17 51.902 2.467 0.872 0.899 1.000 0.938 CA 2.008 P: 13 42.430 2.545 0.840 0.908 0.917 0.917 CA 2.027 13 residues pruned to eliminate duplicates Q: 81 81.760 2.455 0.821 0.654 0.925 0.675 CB 1.915 82 residues pruned to eliminate duplicates R: 17 56.496 2.500 1.083 0.947 1.000 0.812 CA 1.875 17 residues pruned to eliminate duplicates S: 14 47.095 2.636 0.842 0.928 0.923 0.923 C 2.041 14 residues pruned to eliminate duplicates T: 12 69.500 2.765 1.306 0.908 1.000 1.000 CB 2.334 13 residues pruned to eliminate duplicates U: 10 25.620 2.156 1.031 0.695 0.889 0.778 C 1.837 10 residues pruned to eliminate duplicates V: 14 39.451 2.297 0.805 0.934 1.000 0.923 CB 1.841 14 residues pruned to eliminate duplicates W: 14 59.308 2.584 1.202 0.942 1.000 0.769 CA 2.005 14 residues pruned to eliminate duplicates X: 13 41.080 2.443 0.951 0.921 1.000 0.833 CB 1.751 14 residues pruned to eliminate duplicates Y: 13 16.693 2.498 0.668 0.404 0.750 0.667 CB 1.706 Z: 12 33.898 2.325 0.723 0.866 1.000 0.909 CA 1.868 Z: 13 46.909 2.585 0.976 0.932 0.917 0.917 CA 2.020 13 residues pruned to eliminate duplicates Z: 15 41.712 2.463 0.746 0.847 0.929 0.857 CA 2.073 15 residues pruned to eliminate duplicates Z: 20 43.147 2.350 0.671 0.932 1.000 0.895 CB 1.760 20 residues pruned to eliminate duplicates Z: 17 52.559 2.477 1.239 0.786 1.000 0.812 CB 1.843 17 residues pruned to eliminate duplicates Z: 14 48.508 2.464 1.264 0.867 1.000 0.769 CB 1.765 14 residues pruned to eliminate duplicates Z: 11 32.332 2.456 0.669 0.879 1.000 0.800 CA 1.809 12 residues pruned to eliminate duplicates Z: 15 57.485 2.548 0.956 0.912 1.000 0.857 CA 2.184 15 residues pruned to eliminate duplicates Z: 14 42.773 2.428 0.828 0.900 0.923 0.846 CA 2.068 14 residues pruned to eliminate duplicates Z: 20 45.503 2.296 0.875 0.887 1.000 0.842 CA 1.748 19 residues pruned to eliminate duplicates Z: 14 38.266 2.438 0.990 0.940 1.000 1.000 CB 1.519 13 residues pruned to eliminate duplicates Z: 12 28.147 2.286 0.614 0.902 1.000 0.909 CB 1.641 11 residues pruned to eliminate duplicates Z: 16 44.922 2.369 0.811 0.898 1.000 0.667 CA 1.935 16 residues pruned to eliminate duplicates Z: 18 44.035 2.410 0.749 0.940 0.941 0.941 CB 1.869 18 residues pruned to eliminate duplicates Z: 12 29.355 2.311 0.499 0.889 1.000 0.909 CA 1.840 12 residues pruned to eliminate duplicates Z: 15 49.461 2.411 1.179 0.924 1.000 0.857 CA 1.767 15 residues pruned to eliminate duplicates Z: 13 48.869 2.446 1.118 0.930 1.000 0.750 CB 1.904 13 residues pruned to eliminate duplicates Z: 17 49.019 2.477 0.860 0.947 1.000 0.812 CA 1.839 17 residues pruned to eliminate duplicates Z: 52 62.372 2.424 0.677 0.711 0.941 0.784 CB 1.884 52 residues pruned to eliminate duplicates Z: 18 59.688 2.552 0.957 0.949 1.000 0.882 CB 2.000 17 residues pruned to eliminate duplicates Z: 13 30.476 2.436 0.312 0.915 1.000 0.833 CB 1.945 13 residues pruned to eliminate duplicates Z: 10 31.400 2.387 0.559 0.910 1.000 1.000 C 1.995 10 residues pruned to eliminate duplicates Z: 13 27.680 2.297 0.489 0.900 1.000 0.750 CA 1.669 12 residues pruned to eliminate duplicates Z: 13 30.584 2.477 0.559 0.929 1.000 1.000 CB 1.599 13 residues pruned to eliminate duplicates Z: 18 49.987 2.441 0.838 0.897 1.000 0.824 CB 1.935 18 residues pruned to eliminate duplicates Z: 17 48.088 2.503 0.736 0.946 1.000 0.938 CB 1.913 17 residues pruned to eliminate duplicates Z: 14 65.542 2.591 1.397 0.879 1.000 0.769 CA 2.123 14 residues pruned to eliminate duplicates Z: 14 57.218 2.512 1.187 0.894 1.000 0.615 CB 2.072 14 residues pruned to eliminate duplicates Z: 17 52.154 2.510 0.928 0.944 1.000 0.875 CB 1.866 17 residues pruned to eliminate duplicates Z: 11 35.680 2.412 0.637 0.902 1.000 1.000 CA 2.039 11 residues pruned to eliminate duplicates Z: 18 44.927 2.483 0.636 0.941 1.000 0.941 CB 1.861 18 residues pruned to eliminate duplicates Z: 18 46.443 2.389 0.743 0.940 1.000 0.882 CA 1.878 18 residues pruned to eliminate duplicates Z: 16 58.659 2.573 1.000 0.950 1.000 0.933 CA 2.030 17 residues pruned to eliminate duplicates Z: 17 49.184 2.450 0.851 0.938 1.000 0.750 CA 1.885 17 residues pruned to eliminate duplicates Z: 14 51.730 2.457 1.574 0.945 1.000 0.615 CB 1.570 14 residues pruned to eliminate duplicates Z: 17 56.963 2.550 0.951 0.954 1.000 0.875 CB 1.969 17 residues pruned to eliminate duplicates Z: 13 43.884 2.377 1.048 0.940 1.000 0.917 CB 1.808 13 residues pruned to eliminate duplicates Z: 18 46.187 2.401 0.856 0.932 1.000 0.882 CB 1.755 18 residues pruned to eliminate duplicates Z: 12 8.888 1.964 1.281 0.338 0.636 0.364 CB 1.122 Z: 14 45.097 2.279 1.535 0.922 1.000 0.615 CB 1.523 14 residues pruned to eliminate duplicates Z: 18 54.308 2.436 1.040 0.940 1.000 0.824 CB 1.840 18 residues pruned to eliminate duplicates Z: 14 35.938 2.440 0.959 0.924 1.000 1.000 CB 1.464 14 residues pruned to eliminate duplicates Z: 15 44.493 2.311 1.184 0.902 0.929 0.714 C 1.810 15 residues pruned to eliminate duplicates Z: 15 42.548 2.481 1.010 0.842 0.857 0.714 C 1.983 15 residues pruned to eliminate duplicates Z: 7 7.988 1.904 0.419 0.762 0.833 0.500 CA 1.148 7 residues pruned to eliminate duplicates Z: 14 37.339 2.411 0.888 0.846 0.846 0.846 CA 1.998 14 residues pruned to eliminate duplicates Z: 14 41.084 2.443 0.860 0.914 0.923 0.769 C 1.921 14 residues pruned to eliminate duplicates Z: 25 32.399 2.354 0.763 0.536 0.917 0.625 CB 1.678 Z: 17 55.292 2.520 0.940 0.953 1.000 0.875 CB 1.946 17 residues pruned to eliminate duplicates Z: 14 40.948 2.330 0.821 0.928 1.000 0.846 CA 1.875 14 residues pruned to eliminate duplicates Z: 8 10.378 2.031 1.510 0.553 0.714 0.571 CB 1.024 12 residues pruned to eliminate duplicates Z: 13 19.282 2.380 0.851 0.435 0.833 0.500 CB 1.622 13 residues pruned to eliminate duplicates Z: 12 23.623 2.207 0.520 0.905 0.909 0.909 CB 1.663 12 residues pruned to eliminate duplicates Z: 15 38.014 2.420 0.887 0.795 0.857 0.786 CB 2.004 15 residues pruned to eliminate duplicates Z: 41 54.710 2.427 0.716 0.685 0.925 0.775 CB 1.896 41 residues pruned to eliminate duplicates Z: 35 32.619 2.322 0.861 0.407 0.853 0.618 CB 1.673 32 residues pruned to eliminate duplicates Z: 14 33.950 2.412 0.707 0.926 1.000 0.923 CB 1.603 14 residues pruned to eliminate duplicates Z: 14 30.744 2.298 0.410 0.919 1.000 1.000 CB 1.855 14 residues pruned to eliminate duplicates Z: 76 69.120 2.494 0.794 0.525 0.920 0.667 CB 1.892 65 residues pruned to eliminate duplicates Z: 14 37.852 2.318 0.735 0.929 1.000 0.923 CB 1.827 14 residues pruned to eliminate duplicates Z: 40 43.873 2.550 0.701 0.477 0.872 0.513 CB 1.901 39 residues pruned to eliminate duplicates Z: 11 43.813 2.450 0.965 0.918 1.000 0.900 CB 2.028 12 residues pruned to eliminate duplicates Z: 12 37.165 2.229 1.013 0.891 1.000 0.727 CA 1.795 12 residues pruned to eliminate duplicates Z: 18 50.393 2.506 0.770 0.944 1.000 0.941 CA 1.908 18 residues pruned to eliminate duplicates Z: 13 39.615 2.316 0.986 0.919 1.000 0.583 CB 1.752 13 residues pruned to eliminate duplicates Z: 38 44.796 2.545 0.649 0.504 0.892 0.595 CB 1.960 38 residues pruned to eliminate duplicates Z: 24 34.877 2.318 0.994 0.511 0.913 0.609 CB 1.704 24 residues pruned to eliminate duplicates Z: 11 19.326 2.254 0.268 0.880 0.900 0.900 CA 1.720 11 residues pruned to eliminate duplicates Z: 17 44.527 2.485 0.643 0.932 1.000 1.000 CB 1.905 17 residues pruned to eliminate duplicates Z: 13 25.334 2.127 0.812 0.878 1.000 0.750 CA 1.377 13 residues pruned to eliminate duplicates Z: 35 41.770 2.423 0.682 0.565 0.912 0.676 CB 1.809 28 residues pruned to eliminate duplicates Z: 19 51.809 2.474 0.861 0.935 1.000 0.944 CA 1.849 19 residues pruned to eliminate duplicates Z: 16 27.412 2.161 0.709 0.779 0.933 0.667 CB 1.605 16 residues pruned to eliminate duplicates Z: 64 62.447 2.331 0.836 0.638 0.905 0.730 CB 1.786 64 residues pruned to eliminate duplicates Z: 6 4.815 1.757 -0.012 0.843 1.000 0.800 CA 0.924 6 residues pruned to eliminate duplicates Z: 15 54.103 2.495 1.239 0.868 1.000 0.714 CA 1.892 15 residues pruned to eliminate duplicates Z: 51 68.669 2.423 0.820 0.710 0.940 0.800 CB 1.937 51 residues pruned to eliminate duplicates Z: 13 21.549 2.133 0.545 0.879 0.917 0.750 CA 1.493 13 residues pruned to eliminate duplicates Z: 51 64.249 2.430 0.709 0.716 0.920 0.800 CB 1.957 51 residues pruned to eliminate duplicates Z: 11 31.631 2.195 0.828 0.937 1.000 1.000 C 1.735 11 residues pruned to eliminate duplicates Z: 52 79.440 2.493 1.053 0.687 0.980 0.725 CB 1.868 52 residues pruned to eliminate duplicates Z: 15 53.859 2.457 1.263 0.899 0.929 0.643 CB 1.993 15 residues pruned to eliminate duplicates Z: 19 11.567 2.135 0.492 0.290 0.722 0.444 CB 1.500 5 residues pruned to eliminate duplicates Z: 12 22.131 2.184 0.380 0.905 0.909 0.818 CB 1.734 12 residues pruned to eliminate duplicates Z: 13 18.202 2.012 0.636 0.831 0.833 0.833 CA 1.440 13 residues pruned to eliminate duplicates Z: 14 41.036 2.318 1.060 0.915 0.923 0.846 CB 1.825 14 residues pruned to eliminate duplicates Z: 11 23.840 2.275 0.638 0.889 1.000 0.800 CA 1.456 11 residues pruned to eliminate duplicates Z: 14 23.440 2.304 0.223 0.884 1.000 0.923 CB 1.667 14 residues pruned to eliminate duplicates Z: 15 57.106 2.469 1.207 0.911 1.000 0.786 CA 1.985 29 residues pruned to eliminate duplicates Z: 13 22.901 2.423 0.061 0.903 1.000 0.917 CB 1.832 13 residues pruned to eliminate duplicates Z: 19 44.802 2.376 0.769 0.920 1.000 0.722 CA 1.769 19 residues pruned to eliminate duplicates Z: 55 67.765 2.576 0.839 0.545 0.944 0.648 CB 1.972 55 residues pruned to eliminate duplicates Z: 12 22.859 2.093 0.494 0.884 1.000 0.909 CA 1.593 12 residues pruned to eliminate duplicates Z: 10 11.203 1.996 0.576 0.444 0.778 0.667 CA 1.616 Z: 18 29.645 2.227 0.629 0.789 0.882 0.765 CA 1.744 18 residues pruned to eliminate duplicates Z: 12 22.366 2.087 0.813 0.576 1.000 0.636 CB 1.656 Z: 14 22.614 2.469 0.670 0.503 0.923 0.538 CB 1.643 14 residues pruned to eliminate duplicates Z: 15 45.997 2.482 0.914 0.905 0.929 0.643 CA 1.983 15 residues pruned to eliminate duplicates Z: 13 41.962 2.532 0.808 0.939 1.000 1.000 CB 1.840 13 residues pruned to eliminate duplicates Z: 67 60.410 2.508 0.875 0.484 0.864 0.561 CB 1.860 67 residues pruned to eliminate duplicates Z: 11 12.319 2.348 0.643 0.245 0.800 0.700 CB 1.693 11 residues pruned to eliminate duplicates Z: 14 49.337 2.542 0.982 0.909 0.923 0.769 C 2.088 14 residues pruned to eliminate duplicates Z: 14 27.311 2.000 0.856 0.950 1.000 1.000 CB 1.407 14 residues pruned to eliminate duplicates Z: 55 58.371 2.370 0.777 0.681 0.907 0.741 CB 1.760 55 residues pruned to eliminate duplicates Z: 10 13.543 2.168 0.365 0.464 1.000 0.444 CA 1.582 12 residues pruned to eliminate duplicates Z: 30 28.022 2.192 0.749 0.413 0.931 0.586 CB 1.596 12 residues pruned to eliminate duplicates Z: 15 11.574 2.255 0.201 0.405 0.786 0.571 CB 1.606 5 residues pruned to eliminate duplicates Z: 18 38.931 2.226 0.837 0.837 1.000 0.882 CB 1.727 18 residues pruned to eliminate duplicates Z: 13 30.094 2.356 0.475 0.898 1.000 0.833 CB 1.787 13 residues pruned to eliminate duplicates Z: 25 30.784 2.246 0.783 0.464 0.917 0.542 CB 1.776 25 residues pruned to eliminate duplicates Z: 68 66.852 2.344 0.926 0.617 0.881 0.657 CB 1.839 68 residues pruned to eliminate duplicates Z: 13 41.940 2.461 0.753 0.934 1.000 0.833 CA 1.958 13 residues pruned to eliminate duplicates Z: 14 30.699 2.080 1.034 0.880 1.000 0.769 CB 1.459 14 residues pruned to eliminate duplicates Z: 13 36.514 2.473 0.840 0.932 1.000 0.917 CB 1.617 13 residues pruned to eliminate duplicates Z: 30 46.035 2.325 0.697 0.654 0.966 0.759 CA 1.945 26 residues pruned to eliminate duplicates Z: 13 36.406 2.370 0.769 0.894 1.000 0.750 CB 1.799 13 residues pruned to eliminate duplicates Z: 32 43.555 2.416 0.828 0.537 0.935 0.581 CB 1.825 33 residues pruned to eliminate duplicates Z: 39 47.603 2.416 0.751 0.614 0.895 0.711 CB 1.830 39 residues pruned to eliminate duplicates Z: 14 25.246 2.179 0.724 0.911 0.846 0.385 CB 1.562 14 residues pruned to eliminate duplicates Z: 13 36.021 2.468 0.590 0.923 1.000 0.917 CB 1.861 13 residues pruned to eliminate duplicates Z: 27 42.543 2.270 0.907 0.723 0.885 0.731 CB 1.781 27 residues pruned to eliminate duplicates Z: 18 32.926 2.187 0.721 0.842 0.941 0.765 CA 1.680 18 residues pruned to eliminate duplicates Z: 16 53.697 2.298 1.341 0.859 1.000 0.667 CA 1.897 16 residues pruned to eliminate duplicates Z: 27 31.466 2.221 0.736 0.500 0.923 0.577 CB 1.734 27 residues pruned to eliminate duplicates Z: 16 53.036 2.513 0.919 0.952 1.000 0.933 CB 1.955 20 residues pruned to eliminate duplicates Z: 12 34.320 2.603 0.491 0.934 1.000 1.000 CB 1.858 12 residues pruned to eliminate duplicates Z: 18 28.760 2.069 0.637 0.949 1.000 0.941 CB 1.422 Z: 23 40.049 2.450 1.018 0.525 0.955 0.682 CB 1.765 23 residues pruned to eliminate duplicates Z: 54 63.040 2.399 0.774 0.681 0.925 0.755 CB 1.863 54 residues pruned to eliminate duplicates Z: 13 26.856 2.185 0.476 0.920 1.000 0.917 CB 1.694 13 residues pruned to eliminate duplicates Z: 17 28.238 2.136 0.619 0.954 1.000 1.000 CB 1.405 17 residues pruned to eliminate duplicates Z: 24 33.320 2.417 0.867 0.536 0.870 0.609 CB 1.710 24 residues pruned to eliminate duplicates Z: 18 29.590 2.217 0.442 0.819 1.000 0.882 CB 1.702 18 residues pruned to eliminate duplicates Z: 11 22.746 2.168 0.682 0.878 1.000 0.700 CA 1.432 11 residues pruned to eliminate duplicates Z: 15 25.072 1.979 0.705 0.873 1.000 0.857 CB 1.446 15 residues pruned to eliminate duplicates Z: 18 36.745 2.229 0.716 0.839 1.000 0.882 CA 1.740 18 residues pruned to eliminate duplicates Z: 18 28.704 2.085 0.597 0.941 1.000 0.941 CB 1.451 18 residues pruned to eliminate duplicates Z: 30 45.419 2.586 0.771 0.524 0.931 0.586 CB 1.931 30 residues pruned to eliminate duplicates Z: 26 26.560 2.255 0.803 0.465 0.840 0.520 CB 1.612 26 residues pruned to eliminate duplicates Z: 18 33.539 2.209 0.721 0.830 0.941 0.882 CB 1.710 18 residues pruned to eliminate duplicates Z: 11 21.287 1.994 0.949 0.607 1.000 0.500 CB 1.564 11 residues pruned to eliminate duplicates Z: 29 27.995 2.194 0.770 0.352 0.893 0.393 CB 1.790 29 residues pruned to eliminate duplicates Z: 16 26.346 2.088 0.500 0.939 1.000 1.000 CB 1.509 16 residues pruned to eliminate duplicates Z: 29 25.005 2.059 0.691 0.521 0.893 0.464 CB 1.489 29 residues pruned to eliminate duplicates Z: 18 29.543 2.201 0.532 0.838 0.941 0.824 CA 1.687 18 residues pruned to eliminate duplicates Z: 19 26.691 1.976 0.688 0.914 1.000 0.833 CB 1.334 19 residues pruned to eliminate duplicates Z: 33 45.404 2.507 0.709 0.542 0.969 0.625 CB 1.856 33 residues pruned to eliminate duplicates Z: 14 44.357 2.405 1.272 0.904 1.000 0.769 CB 1.603 14 residues pruned to eliminate duplicates Z: 18 29.912 2.152 0.749 0.837 0.882 0.765 CB 1.633 18 residues pruned to eliminate duplicates Z: 18 27.958 2.074 0.561 0.942 1.000 0.824 CB 1.452 18 residues pruned to eliminate duplicates Z: 13 30.043 2.432 0.390 0.929 1.000 0.917 CB 1.795 13 residues pruned to eliminate duplicates Z: 13 11.139 1.857 0.937 0.386 0.833 0.417 C 1.210 13 residues pruned to eliminate duplicates Z: 18 31.999 2.105 0.865 0.818 0.941 0.765 CB 1.595 18 residues pruned to eliminate duplicates Z: 13 14.398 2.217 0.425 0.464 0.750 0.583 C 1.819 13 residues pruned to eliminate duplicates Z: 17 25.962 2.100 0.514 0.952 1.000 0.938 CB 1.406 17 residues pruned to eliminate duplicates Z: 14 38.959 2.335 0.873 0.905 0.923 0.769 C 1.904 14 residues pruned to eliminate duplicates Z: 16 23.790 1.829 0.820 0.910 1.000 0.933 CB 1.309 Z: 46 46.744 2.343 0.806 0.483 0.911 0.600 CB 1.838 46 residues pruned to eliminate duplicates Z: 14 34.062 2.327 0.770 0.915 1.000 0.923 CB 1.620 14 residues pruned to eliminate duplicates Z: 27 39.073 2.259 0.834 0.659 0.923 0.731 CB 1.729 27 residues pruned to eliminate duplicates Z: 27 22.900 2.225 0.801 0.407 0.846 0.462 CB 1.460 27 residues pruned to eliminate duplicates Z: 34 36.774 2.513 0.710 0.516 0.788 0.576 CB 1.860 34 residues pruned to eliminate duplicates Z: 17 29.409 2.151 0.665 0.937 1.000 0.938 CB 1.429 17 residues pruned to eliminate duplicates Z: 18 36.597 2.225 0.744 0.822 1.000 0.941 CA 1.730 18 residues pruned to eliminate duplicates Z: 29 26.095 2.205 0.741 0.414 0.929 0.607 CB 1.514 29 residues pruned to eliminate duplicates Z: 28 29.677 2.235 0.621 0.511 0.889 0.630 CB 1.754 28 residues pruned to eliminate duplicates Z: 6 10.742 2.126 0.453 0.588 1.000 0.800 CB 1.430 6 residues pruned to eliminate duplicates Z: 6 3.945 1.959 -0.082 0.325 0.800 0.600 CB 1.487 6 residues pruned to eliminate duplicates Z: 19 26.753 2.191 0.871 0.432 1.000 0.444 CB 1.650 19 residues pruned to eliminate duplicates Z: 17 34.044 2.164 0.850 0.958 1.000 0.938 CB 1.457 18 residues pruned to eliminate duplicates Z: 18 24.725 2.046 0.477 0.927 1.000 0.941 CB 1.391 18 residues pruned to eliminate duplicates Z: 9 19.739 2.323 0.777 0.546 0.875 0.750 C 1.847 9 residues pruned to eliminate duplicates Z: 30 52.322 2.578 0.913 0.594 0.897 0.586 CB 2.009 30 residues pruned to eliminate duplicates Z: 28 33.349 2.237 0.759 0.508 0.926 0.704 CB 1.748 30 residues pruned to eliminate duplicates Z: 15 46.010 2.391 0.951 0.897 1.000 1.000 CA 1.887 15 residues pruned to eliminate duplicates Z: 18 32.802 2.080 0.871 0.936 1.000 0.941 CB 1.424 17 residues pruned to eliminate duplicates Z: 57 57.112 2.559 0.688 0.512 0.911 0.661 CB 1.917 57 residues pruned to eliminate duplicates Z: 21 42.529 2.587 0.942 0.614 0.800 0.550 C 2.125 21 residues pruned to eliminate duplicates Z: 18 25.754 2.028 0.513 0.944 1.000 0.765 CB 1.409 18 residues pruned to eliminate duplicates Z: 12 5.718 1.782 0.656 0.191 0.727 0.545 CB 1.162 12 residues pruned to eliminate duplicates Z: 17 28.312 2.155 0.547 0.944 1.000 0.875 CB 1.470 17 residues pruned to eliminate duplicates Z: 14 42.941 2.473 0.720 0.897 1.000 1.000 CA 2.005 14 residues pruned to eliminate duplicates Z: 16 24.027 2.080 0.361 0.927 1.000 0.933 CB 1.536 16 residues pruned to eliminate duplicates Z: 25 32.740 2.415 0.868 0.506 0.792 0.625 CB 1.860 25 residues pruned to eliminate duplicates Z: 7 10.335 2.342 0.626 0.303 0.833 0.500 CA 1.655 7 residues pruned to eliminate duplicates Z: 41 62.190 2.437 1.039 0.674 0.975 0.750 CB 1.729 57 residues pruned to eliminate duplicates Z: 30 57.273 2.354 1.092 0.627 0.966 0.759 CB 1.984 26 residues pruned to eliminate duplicates Z: 13 22.361 2.194 0.448 0.896 1.000 1.000 CB 1.456 13 residues pruned to eliminate duplicates Z: 18 26.540 2.201 0.656 0.798 0.824 0.824 CB 1.652 18 residues pruned to eliminate duplicates Z: 14 25.645 2.143 0.687 0.856 1.000 0.769 CB 1.451 14 residues pruned to eliminate duplicates Z: 14 28.451 2.242 0.420 0.924 1.000 0.769 CB 1.742 14 residues pruned to eliminate duplicates Z: 18 24.601 2.084 0.388 0.951 1.000 0.824 CB 1.421 18 residues pruned to eliminate duplicates Z: 24 20.702 2.220 0.452 0.380 0.870 0.522 CB 1.749 24 residues pruned to eliminate duplicates Z: 18 63.607 2.528 1.192 0.938 1.000 0.765 CB 1.936 18 residues pruned to eliminate duplicates Z: 13 29.861 2.107 0.841 0.865 1.000 0.833 CA 1.628 13 residues pruned to eliminate duplicates Z: 32 51.487 2.326 0.970 0.610 1.000 0.774 CB 1.818 33 residues pruned to eliminate duplicates Z: 17 24.255 2.106 0.486 0.941 1.000 0.938 CB 1.345 17 residues pruned to eliminate duplicates Z: 53 69.917 2.405 0.925 0.696 0.962 0.712 CB 1.822 53 residues pruned to eliminate duplicates Z: 13 20.447 2.005 0.859 0.815 0.917 0.833 CB 1.314 13 residues pruned to eliminate duplicates Z: 14 10.480 1.925 0.541 0.416 0.846 0.462 CB 1.264 14 residues pruned to eliminate duplicates Z: 14 29.318 2.248 0.487 0.931 1.000 0.923 CB 1.699 14 residues pruned to eliminate duplicates Z: 12 14.319 2.380 0.278 0.458 0.818 0.636 CB 1.811 12 residues pruned to eliminate duplicates Z: 10 10.266 2.122 0.528 0.305 0.778 0.444 CB 1.684 10 residues pruned to eliminate duplicates Z: 13 35.821 2.383 0.823 0.896 1.000 0.750 CA 1.705 13 residues pruned to eliminate duplicates Z: 17 28.435 2.091 0.734 0.950 1.000 0.875 CB 1.351 17 residues pruned to eliminate duplicates Z: 13 14.387 2.108 0.698 0.452 0.833 0.417 C 1.463 13 residues pruned to eliminate duplicates Z: 18 32.824 2.229 0.662 0.842 0.941 0.824 CA 1.702 18 residues pruned to eliminate duplicates Z: 15 19.880 2.051 0.533 0.816 0.929 0.714 CB 1.384 15 residues pruned to eliminate duplicates Z: 12 23.840 1.969 1.153 0.847 0.909 0.818 C 1.385 12 residues pruned to eliminate duplicates Z: 16 33.096 2.181 0.845 0.932 1.000 0.800 CB 1.484 17 residues pruned to eliminate duplicates Z: 51 70.339 2.431 0.802 0.717 0.960 0.720 CB 1.944 51 residues pruned to eliminate duplicates Z: 28 48.695 2.351 0.831 0.704 0.963 0.778 CB 1.878 28 residues pruned to eliminate duplicates Z: 34 37.287 2.237 0.853 0.632 0.939 0.697 CB 1.473 34 residues pruned to eliminate duplicates Z: 8 6.680 1.627 0.781 0.383 0.857 0.429 N 1.151 8 residues pruned to eliminate duplicates Z: 16 21.781 2.018 0.543 0.848 0.933 0.867 CB 1.436 16 residues pruned to eliminate duplicates Z: 18 34.504 2.160 0.853 0.834 0.941 0.471 CA 1.666 18 residues pruned to eliminate duplicates Z: 13 28.083 2.341 1.053 0.592 0.917 0.750 CB 1.685 13 residues pruned to eliminate duplicates Z: 7 6.941 1.804 -0.019 0.730 0.833 0.667 CB 1.561 7 residues pruned to eliminate duplicates Z: 10 14.775 2.137 0.727 0.547 0.778 0.667 CB 1.639 10 residues pruned to eliminate duplicates Z: 13 41.621 2.481 0.846 0.904 1.000 0.917 CB 1.869 13 residues pruned to eliminate duplicates Z: 15 29.286 1.926 0.938 0.940 1.000 0.929 CB 1.456 15 residues pruned to eliminate duplicates Z: 18 37.809 2.241 0.778 0.847 1.000 0.706 CB 1.709 18 residues pruned to eliminate duplicates Z: 23 29.708 2.202 0.903 0.484 0.909 0.636 CB 1.690 23 residues pruned to eliminate duplicates Z: 6 4.149 1.931 0.718 0.424 0.800 0.800 CB 0.757 6 residues pruned to eliminate duplicates Z: 14 45.561 2.446 1.168 0.868 0.923 0.846 CA 1.888 14 residues pruned to eliminate duplicates Z: 22 37.058 2.226 0.811 0.726 0.952 0.667 CB 1.718 22 residues pruned to eliminate duplicates Z: 11 4.355 1.553 0.736 0.281 0.700 0.600 C 0.934 11 residues pruned to eliminate duplicates Z: 18 23.012 2.031 0.605 0.791 0.882 0.765 CB 1.504 18 residues pruned to eliminate duplicates Z: 12 22.278 2.376 0.738 0.406 0.909 0.909 CA 1.974 12 residues pruned to eliminate duplicates Z: 13 30.008 2.211 0.821 0.919 1.000 0.917 CB 1.517 13 residues pruned to eliminate duplicates Z: 43 39.280 2.410 0.684 0.446 0.881 0.571 CB 1.792 43 residues pruned to eliminate duplicates Z: 14 56.279 2.453 1.345 0.938 1.000 0.846 CA 1.887 14 residues pruned to eliminate duplicates Z: 19 15.703 2.457 0.501 0.344 0.722 0.611 CB 1.648 19 residues pruned to eliminate duplicates Z: 19 29.847 1.864 0.975 0.920 0.944 0.611 CB 1.425 19 residues pruned to eliminate duplicates Z: 18 19.299 2.285 0.736 0.267 0.824 0.471 CB 1.867 18 residues pruned to eliminate duplicates Z: 9 12.010 2.242 0.424 0.364 0.875 0.500 CA 1.759 9 residues pruned to eliminate duplicates Z: 21 13.135 2.050 0.436 0.301 0.850 0.450 CB 1.466 21 residues pruned to eliminate duplicates Z: 16 34.187 2.216 0.818 0.840 0.867 0.800 CA 1.887 16 residues pruned to eliminate duplicates Z: 70 65.804 2.341 0.869 0.622 0.899 0.696 CB 1.796 70 residues pruned to eliminate duplicates Z: 10 16.960 2.099 0.668 0.488 1.000 0.667 CA 1.635 10 residues pruned to eliminate duplicates Z: 13 7.393 1.759 0.281 0.420 0.667 0.500 C 1.545 13 residues pruned to eliminate duplicates Z: 19 36.903 2.328 1.073 0.535 0.889 0.611 CA 1.959 19 residues pruned to eliminate duplicates Z: 7 7.470 1.805 1.072 0.521 0.667 0.500 C 1.199 7 residues pruned to eliminate duplicates Z: 11 9.310 2.114 0.678 0.153 0.700 0.300 C 1.814 11 residues pruned to eliminate duplicates Z: 16 16.005 2.072 0.770 0.436 0.867 0.467 CB 1.389 16 residues pruned to eliminate duplicates Z: 9 26.843 2.267 0.969 0.643 1.000 0.875 CA 1.861 9 residues pruned to eliminate duplicates Z: 36 51.753 2.429 0.663 0.670 0.943 0.857 CB 1.962 36 residues pruned to eliminate duplicates Z: 9 16.784 2.368 0.719 0.405 0.875 0.625 C 1.841 9 residues pruned to eliminate duplicates Z: 10 17.300 2.172 0.698 0.571 0.889 0.778 CA 1.642 10 residues pruned to eliminate duplicates Z: 21 36.295 2.323 0.814 0.685 0.950 0.750 CB 1.711 21 residues pruned to eliminate duplicates Z: 44 66.712 2.427 1.103 0.638 0.953 0.721 CB 1.838 44 residues pruned to eliminate duplicates Z: 9 19.693 2.388 0.921 0.433 0.875 0.750 C 1.859 9 residues pruned to eliminate duplicates Z: 51 64.752 2.370 0.770 0.702 0.960 0.760 CB 1.892 51 residues pruned to eliminate duplicates Z: 6 4.700 1.650 0.770 0.363 0.600 0.400 CA 1.390 6 residues pruned to eliminate duplicates Z: 13 28.494 2.552 1.096 0.413 0.833 0.750 CA 2.021 13 residues pruned to eliminate duplicates Z: 22 39.454 2.584 1.024 0.401 0.857 0.571 CB 2.131 22 residues pruned to eliminate duplicates Z: 17 12.428 1.955 0.454 0.480 0.688 0.562 CB 1.622 17 residues pruned to eliminate duplicates Z: 17 30.278 2.088 0.658 0.953 1.000 0.938 CB 1.505 17 residues pruned to eliminate duplicates Z: 6 2.827 1.438 -0.204 0.796 1.000 0.800 O 0.852 6 residues pruned to eliminate duplicates Z: 6 2.770 1.360 0.227 0.439 0.800 0.400 N 0.987 Z: 17 46.948 2.522 0.822 0.781 0.938 0.750 CB 2.126 17 residues pruned to eliminate duplicates Z: 29 38.281 2.357 0.883 0.597 0.929 0.714 CB 1.601 29 residues pruned to eliminate duplicates Z: 16 28.099 2.061 0.698 0.941 1.000 0.867 CB 1.439 16 residues pruned to eliminate duplicates Z: 11 9.196 1.927 0.610 0.339 0.800 0.300 CB 1.397 11 residues pruned to eliminate duplicates Z: 7 10.325 2.161 0.485 0.384 0.833 0.833 CB 1.784 7 residues pruned to eliminate duplicates Z: 19 40.155 2.514 1.080 0.539 0.889 0.556 CA 1.959 19 residues pruned to eliminate duplicates Z: 9 13.733 2.001 0.740 0.521 0.875 0.750 CB 1.561 9 residues pruned to eliminate duplicates Z: 42 62.524 2.369 0.910 0.750 0.927 0.756 CB 1.862 42 residues pruned to eliminate duplicates Z: 48 64.053 2.400 0.815 0.690 0.957 0.766 CB 1.883 48 residues pruned to eliminate duplicates Z: 56 57.567 2.292 0.774 0.655 0.927 0.673 CB 1.783 56 residues pruned to eliminate duplicates Z: 22 38.251 2.587 0.620 0.607 0.857 0.714 CB 2.098 22 residues pruned to eliminate duplicates Z: 18 36.956 2.211 0.788 0.878 0.941 0.941 CA 1.747 18 residues pruned to eliminate duplicates Z: 14 14.644 2.262 0.431 0.410 0.846 0.692 CB 1.629 14 residues pruned to eliminate duplicates Z: 14 18.797 2.195 0.545 0.418 0.923 0.385 CB 1.813 14 residues pruned to eliminate duplicates Z: 14 25.026 1.887 1.168 0.802 0.923 0.769 CA 1.412 Z: 9 13.201 2.046 0.711 0.308 1.000 0.625 CB 1.650 9 residues pruned to eliminate duplicates Z: 41 44.343 2.468 0.879 0.472 0.850 0.625 CB 1.831 41 residues pruned to eliminate duplicates Z: 15 40.807 2.502 0.959 0.568 1.000 0.786 CA 2.083 15 residues pruned to eliminate duplicates Z: 18 29.844 2.029 0.810 0.909 1.000 0.824 CB 1.399 18 residues pruned to eliminate duplicates Z: 12 15.171 2.367 0.905 0.252 0.727 0.364 CA 1.856 12 residues pruned to eliminate duplicates Z: 11 18.114 2.147 0.523 0.629 0.900 0.600 C 1.724 11 residues pruned to eliminate duplicates Z: 22 28.752 2.075 0.698 0.742 0.952 0.762 CB 1.504 22 residues pruned to eliminate duplicates Z: 14 40.492 2.302 1.109 0.941 0.923 0.923 CB 1.739 14 residues pruned to eliminate duplicates Z: 16 18.130 2.000 0.132 0.913 1.000 0.867 CB 1.463 16 residues pruned to eliminate duplicates Z: 37 48.431 2.489 0.604 0.678 0.944 0.806 CB 1.818 37 residues pruned to eliminate duplicates Z: 46 63.517 2.410 1.080 0.638 0.933 0.733 CB 1.778 60 residues pruned to eliminate duplicates Z: 26 27.987 2.158 0.892 0.516 0.960 0.600 CB 1.405 26 residues pruned to eliminate duplicates Z: 12 26.852 2.102 0.815 0.868 1.000 0.909 C 1.551 12 residues pruned to eliminate duplicates Z: 34 49.455 2.312 0.773 0.699 0.939 0.758 CB 1.865 34 residues pruned to eliminate duplicates Z: 13 13.632 2.225 0.703 0.491 0.833 0.500 CB 1.257 13 residues pruned to eliminate duplicates Z: 16 20.912 1.971 0.453 0.857 1.000 0.733 CB 1.389 16 residues pruned to eliminate duplicates Z: 14 19.353 1.935 0.645 0.584 1.000 0.692 CB 1.555 11 residues pruned to eliminate duplicates Z: 10 20.201 2.482 1.214 0.380 0.778 0.556 CB 1.790 10 residues pruned to eliminate duplicates Z: 15 31.053 2.247 0.751 0.813 0.929 0.643 CA 1.729 15 residues pruned to eliminate duplicates Z: 27 47.907 2.317 0.682 0.761 1.000 0.846 CA 1.911 27 residues pruned to eliminate duplicates Z: 12 11.544 1.754 0.618 0.409 1.000 0.727 CB 1.349 12 residues pruned to eliminate duplicates Z: 7 8.781 1.797 0.622 0.329 1.000 0.500 C 1.484 7 residues pruned to eliminate duplicates Z: 6 4.951 1.526 0.297 0.703 0.800 0.400 CA 1.162 Z: 27 21.620 2.201 0.559 0.356 0.846 0.500 CB 1.705 27 residues pruned to eliminate duplicates Z: 51 73.884 2.462 0.977 0.697 0.960 0.800 CB 1.868 51 residues pruned to eliminate duplicates Z: 26 30.852 2.315 0.917 0.454 0.880 0.560 CB 1.655 26 residues pruned to eliminate duplicates Z: 7 4.527 1.489 0.605 0.289 1.000 0.667 CB 0.981 7 1.094 1.252 0.218 0.261 0.667 0.500 C 0.577 ? Z: 13 33.072 2.215 0.813 0.857 1.000 0.833 CB 1.752 13 residues pruned to eliminate duplicates Z: 18 31.319 2.140 0.816 0.823 0.941 0.706 CB 1.570 18 residues pruned to eliminate duplicates Z: 15 21.381 2.177 0.779 0.441 0.929 0.714 CA 1.687 14 residues pruned to eliminate duplicates Z: 8 6.563 1.964 0.341 0.127 1.000 0.571 CA 1.503 8 residues pruned to eliminate duplicates Z: 13 14.206 1.915 0.357 0.546 0.917 0.833 CA 1.647 13 residues pruned to eliminate duplicates Z: 52 51.123 2.355 0.772 0.520 0.902 0.627 CB 1.865 61 residues pruned to eliminate duplicates Z: 10 22.055 2.188 0.545 0.805 1.000 1.000 CB 1.667 10 residues pruned to eliminate duplicates Z: 16 42.553 2.530 0.458 0.945 1.000 0.933 CB 2.061 16 residues pruned to eliminate duplicates Z: 25 41.062 2.418 0.815 0.611 0.958 0.708 CB 1.794 25 residues pruned to eliminate duplicates Z: 13 39.763 2.443 0.933 0.754 1.000 0.833 CA 1.938 13 residues pruned to eliminate duplicates Z: 34 55.674 2.456 0.731 0.745 0.970 0.879 CB 1.888 34 residues pruned to eliminate duplicates Z: 7 2.692 1.439 0.546 0.317 0.833 0.333 CB 0.725 Z: 34 45.969 2.369 0.682 0.658 0.939 0.848 CB 1.847 34 residues pruned to eliminate duplicates Z: 12 13.426 1.805 0.533 0.624 0.909 0.636 C 1.431 12 residues pruned to eliminate duplicates Z: 10 11.533 1.995 0.633 0.906 0.556 0.444 C 1.510 10 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 54 61.472 2.376 0.770 0.666 0.925 0.755 CB 1.862 54 residues pruned to eliminate duplicates Z: 51 65.171 2.416 0.807 0.701 0.900 0.680 CB 1.953 51 residues pruned to eliminate duplicates Z: 55 64.006 2.362 0.720 0.689 0.944 0.704 CB 1.909 55 residues pruned to eliminate duplicates Z: 52 70.236 2.407 0.831 0.692 0.980 0.706 CB 1.909 52 residues pruned to eliminate duplicates Z: 22 40.224 2.277 0.915 0.678 0.952 0.571 CA 1.794 22 residues pruned to eliminate duplicates Z: 54 65.479 2.404 0.765 0.693 0.925 0.679 CB 1.921 54 residues pruned to eliminate duplicates Z: 64 59.773 2.316 0.725 0.636 0.905 0.714 CB 1.834 64 residues pruned to eliminate duplicates Z: 55 66.234 2.358 0.827 0.677 0.944 0.722 CB 1.883 55 residues pruned to eliminate duplicates Z: 52 60.608 2.366 0.762 0.675 0.922 0.784 CB 1.880 53 residues pruned to eliminate duplicates Z: 15 32.977 2.161 0.877 0.871 0.929 0.714 CB 1.707 15 residues pruned to eliminate duplicates Z: 54 64.150 2.349 0.789 0.677 0.943 0.717 CB 1.888 54 residues pruned to eliminate duplicates Z: 52 73.371 2.405 0.849 0.730 0.980 0.784 CB 1.915 52 residues pruned to eliminate duplicates Z: 53 67.298 2.379 0.856 0.684 0.942 0.788 CB 1.894 51 residues pruned to eliminate duplicates Z: 6 6.278 1.976 0.428 0.634 0.800 0.600 CA 1.097 6 residues pruned to eliminate duplicates Z: 22 36.607 2.272 0.861 0.680 0.905 0.714 CB 1.770 23 residues pruned to eliminate duplicates Z: 19 28.322 2.194 0.704 0.688 0.944 0.833 CB 1.590 19 residues pruned to eliminate duplicates Z: 54 66.491 2.402 0.825 0.695 0.925 0.755 CB 1.886 54 residues pruned to eliminate duplicates Z: 51 67.502 2.449 0.725 0.715 0.960 0.780 CB 1.938 51 residues pruned to eliminate duplicates Z: 52 65.767 2.395 0.794 0.695 0.961 0.804 CB 1.867 52 residues pruned to eliminate duplicates Z: 52 65.383 2.395 0.741 0.705 0.941 0.745 CB 1.936 52 residues pruned to eliminate duplicates Z: 52 66.942 2.414 0.730 0.697 0.980 0.784 CB 1.912 52 residues pruned to eliminate duplicates Z: 57 57.351 2.344 0.715 0.648 0.911 0.696 CB 1.823 57 residues pruned to eliminate duplicates Z: 35 57.270 2.403 0.928 0.666 0.941 0.735 CB 1.932 35 residues pruned to eliminate duplicates Z: 53 65.534 2.401 0.753 0.699 0.942 0.750 CB 1.911 53 residues pruned to eliminate duplicates Z: 53 64.516 2.398 0.778 0.699 0.942 0.750 CB 1.857 53 residues pruned to eliminate duplicates Z: 64 61.793 2.406 0.687 0.631 0.921 0.698 CB 1.842 64 residues pruned to eliminate duplicates Z: 32 49.941 2.394 0.725 0.716 0.935 0.871 CB 1.910 32 residues pruned to eliminate duplicates Z: 51 72.587 2.435 0.877 0.714 0.940 0.800 CB 1.968 51 residues pruned to eliminate duplicates Z: 82 78.826 2.469 0.800 0.641 0.914 0.728 CB 1.890 82 residues pruned to eliminate duplicates Z: 53 67.674 2.411 0.843 0.683 0.942 0.692 CB 1.896 53 residues pruned to eliminate duplicates Z: 54 64.582 2.381 0.760 0.692 0.943 0.774 CB 1.882 54 residues pruned to eliminate duplicates Z: 53 69.747 2.401 0.886 0.686 0.942 0.692 CB 1.912 53 residues pruned to eliminate duplicates Z: 52 72.656 2.403 0.868 0.717 0.961 0.804 CB 1.938 52 residues pruned to eliminate duplicates Z: 52 64.637 2.355 0.792 0.719 0.961 0.745 CB 1.831 52 residues pruned to eliminate duplicates Z: 36 46.423 2.377 0.684 0.623 0.914 0.686 CB 1.910 36 residues pruned to eliminate duplicates Z: 52 64.424 2.379 0.808 0.689 0.941 0.784 CB 1.874 52 residues pruned to eliminate duplicates Z: 35 54.904 2.407 0.930 0.657 0.912 0.676 CB 1.921 35 residues pruned to eliminate duplicates Z: 53 66.921 2.361 0.833 0.694 0.942 0.750 CB 1.906 53 residues pruned to eliminate duplicates Z: 35 56.667 2.444 0.920 0.662 0.941 0.647 CB 1.894 35 residues pruned to eliminate duplicates Z: 63 62.788 2.410 0.815 0.636 0.887 0.645 CB 1.808 63 residues pruned to eliminate duplicates Z: 48 77.558 2.498 0.895 0.697 0.979 0.830 C 2.040 48 residues pruned to eliminate duplicates Z: 51 68.515 2.438 0.800 0.709 0.940 0.780 CB 1.943 51 residues pruned to eliminate duplicates Z: 51 74.777 2.446 0.890 0.714 0.960 0.760 CB 1.963 51 residues pruned to eliminate duplicates Z: 53 74.473 2.450 0.926 0.697 0.942 0.750 CB 1.940 53 residues pruned to eliminate duplicates Z: 36 54.711 2.400 0.945 0.643 0.943 0.771 CB 1.839 36 residues pruned to eliminate duplicates Z: 53 73.615 2.418 0.956 0.681 0.962 0.769 CB 1.900 53 residues pruned to eliminate duplicates Z: 37 41.729 2.302 0.735 0.558 0.944 0.778 CB 1.743 37 residues pruned to eliminate duplicates Z: 54 67.985 2.375 0.855 0.681 0.943 0.736 CB 1.901 54 residues pruned to eliminate duplicates Z: 53 68.675 2.380 0.930 0.686 0.942 0.712 CB 1.855 53 residues pruned to eliminate duplicates Z: 55 68.361 2.399 0.841 0.674 0.963 0.722 CB 1.863 55 residues pruned to eliminate duplicates Z: 63 70.413 2.371 0.956 0.661 0.919 0.726 CB 1.807 63 residues pruned to eliminate duplicates Z: 63 71.202 2.377 0.909 0.650 0.952 0.694 CB 1.821 63 residues pruned to eliminate duplicates Z: 82 88.065 2.450 0.951 0.638 0.938 0.654 CB 1.917 82 residues pruned to eliminate duplicates Z: 19 11.655 2.063 0.534 0.311 0.722 0.389 CB 1.483 19 residues pruned to eliminate duplicates Z: 11 15.486 2.360 0.875 0.334 0.800 0.600 CB 1.659 11 residues pruned to eliminate duplicates Z: 10 17.962 2.384 1.018 0.365 0.778 0.556 CB 1.850 10 residues pruned to eliminate duplicates Z: 28 46.372 2.590 0.795 0.573 0.889 0.667 CB 2.012 28 residues pruned to eliminate duplicates Z: 11 10.003 2.046 0.530 0.469 0.800 0.400 CB 1.303 11 residues pruned to eliminate duplicates Z: 12 13.408 2.331 1.196 0.334 0.636 0.364 CB 1.488 12 residues pruned to eliminate duplicates Z: 9 16.806 2.480 1.009 0.414 0.750 0.625 CB 1.740 9 residues pruned to eliminate duplicates Z: 30 41.433 2.465 0.854 0.549 0.862 0.655 CB 1.862 30 residues pruned to eliminate duplicates Z: 29 46.051 2.522 1.079 0.547 0.857 0.643 CB 1.850 29 residues pruned to eliminate duplicates Z: 60 50.095 2.488 0.723 0.497 0.831 0.559 CB 1.838 60 residues pruned to eliminate duplicates Z: 20 41.720 2.606 0.820 0.585 0.895 0.737 C 2.079 20 residues pruned to eliminate duplicates Z: 49 46.857 2.351 0.735 0.575 0.896 0.646 CB 1.722 49 residues pruned to eliminate duplicates Z: 19 52.619 2.783 0.778 0.656 0.944 0.722 CB 2.295 19 residues pruned to eliminate duplicates Z: 21 35.753 2.588 0.523 0.567 0.900 0.700 C 2.113 21 residues pruned to eliminate duplicates Z: 95 74.757 2.395 0.813 0.581 0.862 0.649 CB 1.907 95 residues pruned to eliminate duplicates Z: 19 45.117 2.696 0.842 0.589 0.889 0.833 C 2.213 19 residues pruned to eliminate duplicates Z: 28 37.056 2.441 0.821 0.522 0.815 0.593 CB 1.927 28 residues pruned to eliminate duplicates Z: 38 39.249 2.396 0.671 0.476 0.865 0.595 CB 1.909 38 residues pruned to eliminate duplicates Z: 21 37.934 2.544 0.796 0.572 0.850 0.700 CB 2.037 21 residues pruned to eliminate duplicates Z: 20 49.580 2.690 1.005 0.599 0.895 0.789 C 2.144 20 residues pruned to eliminate duplicates Z: 19 44.101 2.700 0.784 0.636 0.889 0.667 C 2.136 19 residues pruned to eliminate duplicates Z: 20 43.925 2.634 0.771 0.602 0.895 0.632 CB 2.191 20 residues pruned to eliminate duplicates Z: 31 48.699 2.629 0.726 0.569 0.900 0.633 CB 2.037 31 residues pruned to eliminate duplicates Z: 20 53.048 2.633 1.014 0.635 0.947 0.632 CA 2.135 20 residues pruned to eliminate duplicates Z: 21 44.313 2.637 0.919 0.559 0.850 0.700 C 2.175 21 residues pruned to eliminate duplicates Z: 27 38.550 2.624 0.685 0.493 0.808 0.654 C 2.132 27 residues pruned to eliminate duplicates Z: 38 39.999 2.550 0.645 0.476 0.811 0.595 CB 1.981 38 residues pruned to eliminate duplicates Z: 46 44.675 2.535 0.759 0.441 0.822 0.600 CB 1.930 46 residues pruned to eliminate duplicates Z: 50 45.499 2.471 0.676 0.438 0.878 0.571 CB 1.908 50 residues pruned to eliminate duplicates Z: 89 83.983 2.428 1.026 0.572 0.909 0.636 CB 1.867 89 residues pruned to eliminate duplicates Z: 21 21.347 2.360 0.587 0.336 0.800 0.600 CB 1.905 21 residues pruned to eliminate duplicates Z: 39 44.283 2.593 0.782 0.476 0.789 0.553 CB 2.018 39 residues pruned to eliminate duplicates Z: 38 48.200 2.517 0.740 0.505 0.919 0.568 CB 1.959 38 residues pruned to eliminate duplicates Z: 16 18.818 2.437 0.625 0.379 0.800 0.400 CB 1.746 16 residues pruned to eliminate duplicates Z: 15 17.526 2.457 0.466 0.375 0.857 0.429 CB 1.732 15 residues pruned to eliminate duplicates Z: 39 47.864 2.531 0.839 0.463 0.868 0.579 CB 1.994 39 residues pruned to eliminate duplicates Z: 22 21.133 2.329 0.703 0.331 0.810 0.571 CB 1.728 22 residues pruned to eliminate duplicates Z: 101 74.079 2.421 0.776 0.565 0.870 0.630 CB 1.860 101 residues pruned to eliminate duplicates Z: 13 8.320 2.243 0.456 0.185 0.667 0.417 CB 1.610 13 residues pruned to eliminate duplicates Z: 20 14.744 2.400 0.399 0.303 0.789 0.421 CB 1.590 20 residues pruned to eliminate duplicates Z: 24 18.848 2.334 0.459 0.366 0.783 0.435 CB 1.702 24 residues pruned to eliminate duplicates Z: 71 58.185 2.510 0.848 0.463 0.843 0.543 CB 1.847 71 residues pruned to eliminate duplicates Z: 43 30.305 2.387 0.629 0.396 0.881 0.476 CB 1.524 43 residues pruned to eliminate duplicates Z: 120 90.553 2.455 0.875 0.557 0.916 0.571 CB 1.863 120 residues pruned to eliminate duplicates Z: 20 16.569 2.135 0.718 0.435 0.789 0.421 CB 1.404 20 residues pruned to eliminate duplicates Z: 31 24.808 2.132 0.728 0.400 0.900 0.500 CB 1.517 31 residues pruned to eliminate duplicates Z: 15 15.799 2.171 0.663 0.383 0.857 0.357 CB 1.545 15 residues pruned to eliminate duplicates Z: 25 24.716 2.371 0.856 0.423 0.750 0.542 CB 1.657 25 residues pruned to eliminate duplicates Z: 25 24.641 2.254 0.813 0.400 0.917 0.500 CB 1.491 25 residues pruned to eliminate duplicates Z: 53 51.935 2.532 0.775 0.475 0.885 0.577 CB 1.858 53 residues pruned to eliminate duplicates Z: 13 10.006 2.199 0.293 0.342 0.917 0.417 CB 1.317 13 residues pruned to eliminate duplicates Z: 19 17.026 2.052 0.635 0.350 0.889 0.389 CB 1.583 19 residues pruned to eliminate duplicates Z: 45 35.371 2.382 0.717 0.358 0.864 0.477 CB 1.759 45 residues pruned to eliminate duplicates Z: 42 39.456 2.491 0.827 0.409 0.854 0.488 CB 1.745 42 residues pruned to eliminate duplicates Z: 24 35.951 2.452 0.921 0.525 0.913 0.652 CB 1.700 24 residues pruned to eliminate duplicates Z: 17 15.694 2.061 0.461 0.459 0.938 0.500 CB 1.449 17 residues pruned to eliminate duplicates Z: 41 39.941 2.429 0.776 0.459 0.875 0.575 CB 1.745 41 residues pruned to eliminate duplicates Z: 93 56.188 2.320 0.730 0.490 0.880 0.598 CB 1.674 93 residues pruned to eliminate duplicates Z: 24 36.524 2.459 0.944 0.511 0.913 0.609 CB 1.726 24 residues pruned to eliminate duplicates Z: 54 54.622 2.518 0.918 0.477 0.868 0.604 CB 1.832 54 residues pruned to eliminate duplicates Z: 13 25.239 2.457 1.030 0.471 0.833 0.750 CB 1.804 13 residues pruned to eliminate duplicates Z: 32 27.418 2.357 0.771 0.346 0.806 0.452 CB 1.729 32 residues pruned to eliminate duplicates Z: 64 65.801 2.506 0.835 0.563 0.905 0.651 CB 1.875 64 residues pruned to eliminate duplicates Z: 26 28.867 2.366 0.694 0.467 0.880 0.560 CB 1.692 26 residues pruned to eliminate duplicates Z: 53 69.724 2.520 1.024 0.608 0.885 0.712 CB 1.935 53 residues pruned to eliminate duplicates Z: 64 66.288 2.511 0.837 0.578 0.905 0.714 CB 1.856 64 residues pruned to eliminate duplicates Z: 51 69.785 2.518 0.809 0.688 0.980 0.820 CB 1.861 51 residues pruned to eliminate duplicates Z: 55 68.879 2.441 0.884 0.699 0.944 0.741 CB 1.800 55 residues pruned to eliminate duplicates Z: 54 61.817 2.424 0.768 0.653 0.943 0.698 CB 1.821 54 residues pruned to eliminate duplicates Z: 51 79.755 2.535 0.941 0.701 0.980 0.800 CB 1.947 51 residues pruned to eliminate duplicates Z: 52 72.073 2.463 0.848 0.709 0.980 0.725 CB 1.871 52 residues pruned to eliminate duplicates Z: 51 72.418 2.535 0.860 0.704 0.940 0.780 CB 1.919 51 residues pruned to eliminate duplicates Z: 56 63.491 2.405 0.870 0.653 0.945 0.782 CB 1.746 56 residues pruned to eliminate duplicates Z: 51 74.859 2.496 0.928 0.718 0.960 0.800 CB 1.881 51 residues pruned to eliminate duplicates Z: 52 70.016 2.493 0.827 0.692 0.961 0.784 CB 1.880 52 residues pruned to eliminate duplicates Z: 51 75.991 2.528 0.885 0.705 0.980 0.780 CB 1.909 51 residues pruned to eliminate duplicates Z: 54 67.265 2.429 0.833 0.688 0.981 0.717 CB 1.780 54 residues pruned to eliminate duplicates Z: 72 82.223 2.496 0.855 0.645 0.972 0.732 CB 1.894 73 residues pruned to eliminate duplicates Z: 15 47.852 2.385 1.149 0.787 1.000 0.929 CA 1.940 15 residues pruned to eliminate duplicates Z: 53 71.919 2.454 0.879 0.693 0.981 0.788 CB 1.849 53 residues pruned to eliminate duplicates Z: 51 73.789 2.524 0.981 0.688 0.940 0.720 CB 1.869 51 residues pruned to eliminate duplicates Z: 53 74.514 2.478 0.983 0.708 0.962 0.808 CB 1.811 53 residues pruned to eliminate duplicates Z: 55 71.405 2.458 0.946 0.649 0.944 0.741 CB 1.871 55 residues pruned to eliminate duplicates Z: 44 47.840 2.332 0.698 0.600 0.907 0.698 CB 1.847 44 residues pruned to eliminate duplicates Z: 53 72.545 2.481 0.920 0.672 0.962 0.692 CB 1.875 53 residues pruned to eliminate duplicates Z: 54 71.680 2.431 0.942 0.689 0.962 0.698 CB 1.823 54 residues pruned to eliminate duplicates Z: 53 69.738 2.466 0.909 0.681 0.962 0.750 CB 1.809 53 residues pruned to eliminate duplicates Z: 57 62.774 2.380 0.883 0.633 0.946 0.661 CB 1.746 57 residues pruned to eliminate duplicates Z: 51 72.232 2.519 0.852 0.690 0.960 0.700 CB 1.917 51 residues pruned to eliminate duplicates Z: 53 71.076 2.467 0.902 0.690 0.981 0.846 CB 1.800 53 residues pruned to eliminate duplicates Z: 51 78.466 2.533 0.977 0.706 0.980 0.760 CB 1.875 51 residues pruned to eliminate duplicates Z: 55 66.479 2.418 0.923 0.634 0.926 0.685 CB 1.853 55 residues pruned to eliminate duplicates Z: 52 72.417 2.497 0.917 0.675 0.961 0.765 CB 1.876 52 residues pruned to eliminate duplicates Z: 39 54.964 2.422 1.040 0.592 0.868 0.684 CB 1.903 39 residues pruned to eliminate duplicates Z: 52 77.736 2.508 1.041 0.689 0.961 0.686 CB 1.861 52 residues pruned to eliminate duplicates Z: 51 74.309 2.535 0.895 0.693 0.980 0.780 CB 1.871 51 residues pruned to eliminate duplicates Z: 13 34.844 2.578 0.577 0.710 1.000 0.833 CB 2.044 13 residues pruned to eliminate duplicates Z: 52 80.090 2.514 1.078 0.686 0.961 0.784 CB 1.884 52 residues pruned to eliminate duplicates Z: 54 75.712 2.456 1.012 0.696 0.962 0.774 CB 1.828 54 residues pruned to eliminate duplicates Z: 51 76.435 2.464 1.094 0.682 0.960 0.800 CB 1.846 51 residues pruned to eliminate duplicates Z: 82 81.741 2.416 0.855 0.651 0.951 0.753 CB 1.852 51 residues pruned to eliminate duplicates Z: 13 34.548 2.306 0.706 0.870 1.000 0.833 CA 1.850 13 residues pruned to eliminate duplicates Z: 52 74.736 2.506 0.952 0.669 0.980 0.784 CB 1.866 53 residues pruned to eliminate duplicates Z: 14 28.349 2.274 0.588 0.738 1.000 0.692 CA 1.760 14 residues pruned to eliminate duplicates Z: 17 41.608 2.491 0.809 0.660 1.000 0.875 CA 1.990 17 residues pruned to eliminate duplicates Z: 72 86.771 2.504 0.959 0.663 0.944 0.718 CB 1.913 72 residues pruned to eliminate duplicates Z: 56 68.870 2.454 0.946 0.639 0.927 0.745 CB 1.841 56 residues pruned to eliminate duplicates Z: 7 7.290 1.830 0.621 0.294 1.000 0.667 CA 1.263 7 residues pruned to eliminate duplicates Z: 19 50.919 2.589 0.933 0.678 1.000 0.833 CB 2.036 19 residues pruned to eliminate duplicates Z: 19 52.951 2.470 1.052 0.680 1.000 0.722 CA 2.086 19 residues pruned to eliminate duplicates Z: 18 55.564 2.671 0.886 0.713 1.000 0.765 CA 2.205 18 residues pruned to eliminate duplicates Z: 16 60.617 2.743 1.063 0.731 1.000 0.867 CA 2.247 16 residues pruned to eliminate duplicates Z: 20 46.497 2.556 0.885 0.617 0.947 0.684 CB 2.091 20 residues pruned to eliminate duplicates Z: 20 44.642 2.509 1.062 0.599 0.895 0.632 CA 2.013 20 residues pruned to eliminate duplicates Z: 31 43.193 2.527 0.678 0.524 0.900 0.567 CB 2.017 31 residues pruned to eliminate duplicates Z: 20 46.031 2.481 0.988 0.613 0.947 0.842 CB 2.030 20 residues pruned to eliminate duplicates Z: 16 53.758 2.747 1.038 0.690 0.933 0.800 CB 2.232 16 residues pruned to eliminate duplicates Z: 18 54.914 2.644 0.921 0.693 1.000 0.824 CB 2.198 18 residues pruned to eliminate duplicates Z: 38 39.365 2.470 0.617 0.506 0.865 0.541 CB 1.861 38 residues pruned to eliminate duplicates Z: 35 39.625 2.401 0.711 0.507 0.853 0.618 CB 1.926 35 residues pruned to eliminate duplicates Z: 30 43.955 2.561 0.742 0.546 0.897 0.586 CB 1.951 30 residues pruned to eliminate duplicates Z: 56 50.999 2.408 0.817 0.476 0.891 0.582 CB 1.807 56 residues pruned to eliminate duplicates Z: 39 40.408 2.436 0.644 0.493 0.921 0.526 CB 1.791 39 residues pruned to eliminate duplicates Z: 31 44.890 2.466 0.823 0.535 0.900 0.533 CB 1.958 31 residues pruned to eliminate duplicates Z: 35 37.242 2.419 0.881 0.410 0.824 0.500 CB 1.873 35 residues pruned to eliminate duplicates Z: 31 39.785 2.523 0.694 0.495 0.900 0.567 CB 1.897 31 residues pruned to eliminate duplicates Z: 34 39.007 2.433 0.573 0.500 0.939 0.606 CB 1.888 34 residues pruned to eliminate duplicates Z: 15 14.112 2.296 0.346 0.342 0.857 0.500 CB 1.691 15 residues pruned to eliminate duplicates Z: 19 17.915 2.250 0.481 0.356 0.778 0.389 CB 1.902 19 residues pruned to eliminate duplicates Z: 40 31.201 2.274 0.637 0.396 0.897 0.564 CB 1.669 40 residues pruned to eliminate duplicates Z: 37 42.463 2.406 0.772 0.498 0.861 0.639 CB 1.932 37 residues pruned to eliminate duplicates Z: 43 34.506 2.248 0.656 0.405 0.881 0.500 CB 1.794 43 residues pruned to eliminate duplicates Z: 32 37.344 2.410 0.869 0.473 0.839 0.516 CB 1.825 32 residues pruned to eliminate duplicates Z: 18 12.745 2.239 0.409 0.245 0.824 0.471 CB 1.597 18 residues pruned to eliminate duplicates Z: 43 31.420 2.232 0.722 0.402 0.857 0.524 CB 1.632 43 residues pruned to eliminate duplicates Z: 61 48.430 2.297 0.807 0.472 0.900 0.550 CB 1.722 61 residues pruned to eliminate duplicates Z: 12 6.512 2.163 0.320 0.218 0.636 0.273 CB 1.506 12 residues pruned to eliminate duplicates Z: 50 54.372 2.364 0.779 0.553 0.939 0.633 CB 1.868 50 residues pruned to eliminate duplicates Z: 16 17.255 2.194 0.474 0.312 0.933 0.333 CB 1.818 16 residues pruned to eliminate duplicates Z: 20 23.917 2.251 0.767 0.407 0.895 0.474 CB 1.699 20 residues pruned to eliminate duplicates Z: 18 24.644 2.280 0.700 0.477 0.882 0.471 CB 1.788 18 residues pruned to eliminate duplicates Z: 29 25.471 2.217 0.609 0.377 0.893 0.536 CB 1.723 29 residues pruned to eliminate duplicates Z: 21 20.332 2.108 0.878 0.353 0.900 0.400 CB 1.497 21 residues pruned to eliminate duplicates Z: 17 18.939 2.266 0.542 0.361 0.875 0.438 CB 1.799 17 residues pruned to eliminate duplicates Z: 31 30.580 2.163 0.897 0.409 0.900 0.500 CB 1.664 31 residues pruned to eliminate duplicates Z: 25 35.666 2.266 1.016 0.475 0.958 0.542 CB 1.706 25 residues pruned to eliminate duplicates Z: 16 18.507 2.203 0.751 0.357 0.867 0.400 CB 1.668 16 residues pruned to eliminate duplicates Z: 16 12.772 1.960 0.693 0.369 0.867 0.333 CB 1.318 16 residues pruned to eliminate duplicates Z: 23 22.411 2.162 0.887 0.438 0.818 0.500 CB 1.526 23 residues pruned to eliminate duplicates Z: 28 29.585 2.230 0.772 0.437 0.889 0.556 CB 1.730 28 residues pruned to eliminate duplicates Z: 16 15.270 2.016 1.016 0.375 0.733 0.600 C 1.511 16 residues pruned to eliminate duplicates Z: 35 30.337 2.229 0.816 0.366 0.853 0.559 CB 1.740 35 residues pruned to eliminate duplicates Z: 13 14.030 1.997 0.939 0.398 0.833 0.417 CB 1.397 13 residues pruned to eliminate duplicates Z: 33 26.104 2.322 0.664 0.342 0.812 0.531 CB 1.744 33 residues pruned to eliminate duplicates Z: 53 54.222 2.339 0.762 0.538 0.923 0.712 CB 1.904 53 residues pruned to eliminate duplicates Z: 47 55.294 2.330 0.859 0.562 0.957 0.630 CB 1.852 47 residues pruned to eliminate duplicates Z: 22 48.047 2.495 0.828 0.680 1.000 0.810 CA 1.948 22 residues pruned to eliminate duplicates Z: 30 49.898 2.408 0.709 0.651 0.966 0.793 CA 2.026 30 residues pruned to eliminate duplicates Z: 31 51.919 2.382 0.907 0.624 0.967 0.767 CB 1.920 31 residues pruned to eliminate duplicates Z: 29 55.165 2.467 0.789 0.690 0.964 0.857 CB 2.060 29 residues pruned to eliminate duplicates Z: 25 42.186 2.332 0.948 0.605 0.917 0.792 CB 1.871 25 residues pruned to eliminate duplicates Z: 46 59.471 2.413 0.816 0.583 0.956 0.711 CB 1.955 46 residues pruned to eliminate duplicates Z: 32 54.827 2.344 1.018 0.639 0.935 0.710 CA 1.955 32 residues pruned to eliminate duplicates Z: 30 53.473 2.421 0.873 0.643 0.966 0.724 CA 1.985 30 residues pruned to eliminate duplicates Z: 23 49.459 2.383 1.024 0.654 1.000 0.909 CA 1.894 23 residues pruned to eliminate duplicates Z: 31 52.882 2.315 0.988 0.634 0.933 0.767 CA 1.982 31 residues pruned to eliminate duplicates Z: 46 57.645 2.341 0.932 0.564 0.933 0.622 CB 1.913 46 residues pruned to eliminate duplicates Z: 29 57.248 2.467 0.877 0.693 0.964 0.714 CB 2.031 29 residues pruned to eliminate duplicates Z: 19 55.417 2.454 1.008 0.937 1.000 0.667 CA 1.845 19 residues pruned to eliminate duplicates Z: 30 47.260 2.307 0.989 0.576 0.931 0.724 CB 1.909 30 residues pruned to eliminate duplicates Z: 31 52.768 2.351 0.897 0.636 1.000 0.867 CA 1.900 31 residues pruned to eliminate duplicates Z: 30 58.874 2.442 0.957 0.666 0.966 0.759 CB 2.032 30 residues pruned to eliminate duplicates Z: 19 57.126 2.434 1.103 0.924 1.000 0.500 CA 1.848 19 residues pruned to eliminate duplicates Z: 32 54.568 2.328 0.935 0.643 1.000 0.839 CB 1.904 32 residues pruned to eliminate duplicates Z: 34 47.429 2.350 0.784 0.612 0.909 0.758 CB 1.948 34 residues pruned to eliminate duplicates Z: 32 45.188 2.302 0.766 0.641 0.968 0.774 CB 1.807 32 residues pruned to eliminate duplicates Z: 29 49.584 2.431 0.690 0.687 0.964 0.821 CA 1.991 29 residues pruned to eliminate duplicates Z: 30 52.959 2.433 0.821 0.657 0.966 0.793 CB 1.987 30 residues pruned to eliminate duplicates Z: 31 47.275 2.353 0.878 0.584 0.933 0.667 CB 1.931 31 residues pruned to eliminate duplicates Z: 51 47.916 2.335 0.807 0.487 0.880 0.620 CB 1.849 51 residues pruned to eliminate duplicates Z: 35 49.384 2.281 1.044 0.539 0.912 0.647 C 1.917 35 residues pruned to eliminate duplicates Z: 10 14.510 2.101 0.467 0.484 0.889 0.778 CB 1.794 10 residues pruned to eliminate duplicates 240 residues left after pruning, divided into chains as follows: A: 17 B: 9 C: 214 CC for partial structure against native data = 31.34 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.426, Connect. = 0.773 for dens.mod. cycle 1 = 0.306, Contrast = 0.486, Connect. = 0.795 for dens.mod. cycle 2 = 0.306, Contrast = 0.587, Connect. = 0.831 for dens.mod. cycle 3 = 0.306, Contrast = 0.592, Connect. = 0.835 for dens.mod. cycle 4 = 0.306, Contrast = 0.603, Connect. = 0.839 for dens.mod. cycle 5 = 0.306, Contrast = 0.607, Connect. = 0.842 for dens.mod. cycle 6 = 0.306, Contrast = 0.614, Connect. = 0.844 for dens.mod. cycle 7 = 0.306, Contrast = 0.617, Connect. = 0.846 for dens.mod. cycle 8 = 0.306, Contrast = 0.621, Connect. = 0.847 for dens.mod. cycle 9 = 0.306, Contrast = 0.623, Connect. = 0.848 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 2.83 - 2.25 - 1.96 - 1.78 - 1.65 - 1.55 - 1.47 - 1.41 - 1.35 - 1.30 0.721 0.767 0.773 0.753 0.760 0.770 0.729 0.675 0.608 0.572 0.905 0.931 0.932 0.914 0.916 0.914 0.877 0.809 0.743 0.709 N 7015 6898 7153 6980 7084 7129 7178 6510 7636 5854 Estimated mean FOM = 0.715 Pseudo-free CC = 71.90 % Best trace (cycle 1 with CC 32.96%) was saved as ./2prv-1.3-parrot-mrncs/2prv-1.3-parrot-mrncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.7 - Setup, data input and phasing 4.7 - FFTs and peak-searches 29.2 - Sphere of influence 0.9 - Rest of density modification 0.0 - Alpha-helix search 2231.6 - Tripeptide search 4766.2 - Chain tracing 0.0 - NCS analysis 22.6 - B-value refinement for trace 0.1 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 21:17:18 Total time: 7055.92 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 118.14 Used memory is bytes: 25192360