++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 22:14:23 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: ./1zkg-2.3-parrot-noncs/1zkg-2.3-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./1zkg-2.3-parrot-noncs/1zkg-2.3-parrot-noncs.ins Phases from ./1zkg-2.3-parrot-noncs/1zkg-2.3-parrot-noncs.phi Native data from ./1zkg-2.3-parrot-noncs/1zkg-2.3-parrot-noncs.hkl Listing output to ./1zkg-2.3-parrot-noncs/1zkg-2.3-parrot-noncs.lst Phases output to ./1zkg-2.3-parrot-noncs/1zkg-2.3-parrot-noncs.phs Poly-Ala trace output to ./1zkg-2.3-parrot-noncs/1zkg-2.3-parrot-noncs.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 21 1 Allowed origin shift code: 2 21358 Reflections read from file ./1zkg-2.3-parrot-noncs/1zkg-2.3-parrot-noncs.phi 21358 Reflections read from file ./1zkg-2.3-parrot-noncs/1zkg-2.3-parrot-noncs.hkl 21358 Unique data, highest resolution = 2.300 Angstroms Anisotropic scaling: intensities multiplied by -0.001251h^2 -0.000049k^2 +0.000847l^2 +0.000000kl -0.001846hl +0.000000hk 11 Reflections with d > 2.500 and 0 in range 2.500 > d > 2.300 added Density sharpening factor set to 0.30 Fourier grid = 64 x 128 x 39 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.700 = 0.237, Contrast = 0.071, Connect. = 0.485 for dens.mod. cycle 1 = 0.251, Contrast = 0.220, Connect. = 0.552 for dens.mod. cycle 2 = 0.270, Contrast = 0.379, Connect. = 0.651 for dens.mod. cycle 3 = 0.287, Contrast = 0.465, Connect. = 0.687 for dens.mod. cycle 4 = 0.299, Contrast = 0.518, Connect. = 0.705 for dens.mod. cycle 5 = 0.300, Contrast = 0.549, Connect. = 0.715 for dens.mod. cycle 6 = 0.300, Contrast = 0.583, Connect. = 0.725 for dens.mod. cycle 7 = 0.300, Contrast = 0.606, Connect. = 0.732 for dens.mod. cycle 8 = 0.300, Contrast = 0.621, Connect. = 0.738 for dens.mod. cycle 9 = 0.300, Contrast = 0.631, Connect. = 0.742 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1346 peaks > 0.5 sigma used to seed fragment search Space for about 536 unique residues taking solvent into account 398 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 26.667 2.041 0.718 0.910 1.000 0.733 CB 1.392 B: 16 24.176 2.018 0.971 0.939 0.933 0.667 CB 1.169 C: 16 21.812 2.011 0.569 0.895 0.933 0.867 CB 1.372 16 residues pruned to eliminate duplicates D: 16 22.012 2.027 0.836 0.900 0.933 0.800 CB 1.168 16 residues pruned to eliminate duplicates E: 19 21.233 1.915 0.782 0.914 0.889 0.833 CB 1.167 F: 15 22.285 1.941 0.590 0.892 1.000 0.714 CB 1.386 14 residues pruned to eliminate duplicates G: 23 24.251 1.920 0.419 0.951 1.000 0.955 CB 1.308 H: 27 26.578 1.793 0.797 0.911 1.000 0.615 CB 1.146 I: 25 31.331 1.980 0.603 0.913 1.000 0.958 CB 1.426 J: 16 24.701 1.987 0.857 0.932 1.000 0.867 CB 1.206 16 residues pruned to eliminate duplicates K: 17 30.852 1.979 0.962 0.912 1.000 0.750 CB 1.407 20 residues pruned to eliminate duplicates L: 13 21.371 1.910 0.830 0.817 1.000 0.417 CB 1.339 13 residues pruned to eliminate duplicates M: 26 30.516 1.981 0.656 0.911 1.000 0.920 CB 1.318 26 residues pruned to eliminate duplicates N: 11 19.698 1.964 0.854 0.893 1.000 0.900 CB 1.229 11 residues pruned to eliminate duplicates O: 25 24.174 1.932 0.775 0.917 1.000 0.792 CB 1.015 23 residues pruned to eliminate duplicates P: 25 31.870 1.947 0.626 0.929 1.000 0.875 CB 1.438 25 residues pruned to eliminate duplicates Q: 19 21.485 1.944 0.537 0.891 0.944 0.833 CB 1.290 16 residues pruned to eliminate duplicates R: 15 24.068 2.075 0.686 0.945 1.000 1.000 CB 1.273 15 residues pruned to eliminate duplicates S: 23 29.375 1.962 1.063 0.912 1.000 0.773 CB 1.096 25 residues pruned to eliminate duplicates T: 16 24.844 2.044 0.785 0.916 1.000 0.867 CB 1.243 16 residues pruned to eliminate duplicates U: 18 19.997 1.848 0.474 0.905 0.941 0.882 CB 1.346 V: 27 39.821 1.955 0.949 0.935 1.000 0.808 CB 1.428 25 residues pruned to eliminate duplicates W: 26 28.492 1.951 0.576 0.922 0.960 0.920 CB 1.358 26 residues pruned to eliminate duplicates X: 23 32.008 1.955 0.845 0.925 1.000 0.909 CB 1.327 18 residues pruned to eliminate duplicates Y: 16 26.212 1.942 1.028 0.869 0.867 0.733 CB 1.449 16 residues pruned to eliminate duplicates Z: 12 13.559 1.735 0.662 0.868 0.818 0.727 CB 1.267 Z: 26 26.901 1.823 0.815 0.898 1.000 0.760 CB 1.163 26 residues pruned to eliminate duplicates Z: 16 22.729 1.972 0.987 0.914 1.000 0.600 CB 1.059 16 residues pruned to eliminate duplicates Z: 16 26.310 2.028 1.104 0.912 0.933 0.667 CB 1.208 16 residues pruned to eliminate duplicates Z: 20 23.727 1.825 0.574 0.900 1.000 0.895 CA 1.354 Z: 21 28.492 1.982 0.700 0.945 0.950 0.950 CB 1.377 21 residues pruned to eliminate duplicates Z: 16 25.674 2.009 1.053 0.934 0.933 0.800 CB 1.202 16 residues pruned to eliminate duplicates Z: 10 15.948 1.895 0.711 0.891 1.000 0.667 CB 1.179 Z: 16 23.703 1.915 0.736 0.888 1.000 0.867 CB 1.327 16 residues pruned to eliminate duplicates Z: 17 25.158 2.020 0.700 0.945 1.000 0.938 CB 1.268 17 residues pruned to eliminate duplicates Z: 9 14.365 1.691 0.798 0.845 0.875 0.750 CB 1.420 Z: 26 24.251 1.897 0.713 0.907 0.960 0.880 CB 1.105 26 residues pruned to eliminate duplicates Z: 15 26.025 1.842 0.998 0.921 1.000 0.786 CB 1.330 Z: 16 20.262 1.818 0.574 0.908 1.000 1.000 CB 1.297 16 residues pruned to eliminate duplicates Z: 21 25.423 1.995 0.572 0.903 1.000 0.900 CB 1.292 21 residues pruned to eliminate duplicates Z: 13 12.086 1.526 0.842 0.877 1.000 0.667 CB 0.902 Z: 25 32.830 1.999 0.520 0.916 1.000 1.000 CB 1.558 25 residues pruned to eliminate duplicates Z: 17 27.810 1.935 1.047 0.905 1.000 0.375 CB 1.249 17 residues pruned to eliminate duplicates Z: 24 26.368 1.915 0.729 0.887 0.957 0.783 CB 1.251 24 residues pruned to eliminate duplicates Z: 25 22.826 1.804 0.683 0.869 0.958 0.750 CB 1.170 25 residues pruned to eliminate duplicates Z: 8 15.092 1.909 0.521 0.864 1.000 0.857 CB 1.440 Z: 25 26.557 1.933 0.892 0.887 1.000 0.542 CB 1.068 25 residues pruned to eliminate duplicates Z: 26 26.147 1.925 0.776 0.884 0.960 0.840 CB 1.151 26 residues pruned to eliminate duplicates Z: 16 22.966 2.002 0.573 0.917 1.000 0.933 CB 1.329 16 residues pruned to eliminate duplicates Z: 13 17.563 1.773 0.890 0.866 0.833 0.833 CB 1.328 8 residues pruned to eliminate duplicates Z: 24 12.825 1.554 0.447 0.820 0.913 0.696 CB 0.987 Z: 17 22.046 1.935 0.438 0.917 1.000 0.938 CB 1.398 17 residues pruned to eliminate duplicates Z: 19 12.986 1.558 0.583 0.891 1.000 0.833 CB 0.893 19 residues pruned to eliminate duplicates Z: 32 31.008 1.886 0.788 0.862 0.968 0.581 CB 1.253 33 residues pruned to eliminate duplicates Z: 15 14.147 1.583 0.533 0.897 1.000 0.929 CB 1.115 Z: 17 23.911 1.975 0.748 0.934 1.000 0.875 CB 1.207 17 residues pruned to eliminate duplicates Z: 15 12.237 1.652 0.405 0.900 0.857 0.643 CB 1.173 15 residues pruned to eliminate duplicates Z: 19 15.790 1.692 0.620 0.852 0.944 0.667 CB 1.063 Z: 25 26.560 1.924 0.775 0.939 1.000 0.958 CB 1.103 25 residues pruned to eliminate duplicates Z: 17 21.820 1.975 0.931 0.900 0.938 0.562 CB 1.090 17 residues pruned to eliminate duplicates Z: 20 25.484 1.868 0.675 0.927 1.000 0.947 CB 1.310 20 residues pruned to eliminate duplicates Z: 24 25.386 1.909 0.680 0.909 0.957 0.870 CB 1.225 24 residues pruned to eliminate duplicates Z: 7 11.219 1.812 0.697 0.863 1.000 0.833 CB 1.092 7 residues pruned to eliminate duplicates Z: 25 22.615 1.915 0.427 0.920 1.000 0.833 CB 1.190 25 residues pruned to eliminate duplicates Z: 8 11.338 1.895 0.518 0.893 1.000 0.857 CB 1.070 8 residues pruned to eliminate duplicates Z: 14 24.490 1.902 0.948 0.916 1.000 0.846 CB 1.295 14 residues pruned to eliminate duplicates Z: 13 21.944 1.892 0.819 0.863 1.000 0.833 CB 1.350 13 residues pruned to eliminate duplicates Z: 31 30.504 1.803 0.644 0.901 1.000 0.867 CB 1.342 34 residues pruned to eliminate duplicates Z: 27 25.169 1.798 0.687 0.838 1.000 0.769 CB 1.216 9 residues pruned to eliminate duplicates Z: 15 20.026 2.034 0.673 0.918 0.929 0.786 CB 1.195 15 residues pruned to eliminate duplicates Z: 18 19.333 1.776 0.525 0.913 1.000 0.824 CB 1.225 18 residues pruned to eliminate duplicates Z: 23 24.963 1.928 0.683 0.932 0.955 0.955 CB 1.200 23 residues pruned to eliminate duplicates Z: 18 18.904 1.783 0.551 0.915 1.000 0.882 CB 1.172 18 residues pruned to eliminate duplicates Z: 21 26.590 1.879 0.909 0.867 0.950 0.600 CB 1.276 21 residues pruned to eliminate duplicates Z: 15 11.505 1.670 0.278 0.836 0.929 0.786 CB 1.161 15 residues pruned to eliminate duplicates Z: 9 16.445 2.054 0.670 0.894 1.000 1.000 CB 1.216 9 residues pruned to eliminate duplicates Z: 27 31.343 1.931 0.693 0.896 1.000 0.962 CB 1.347 27 residues pruned to eliminate duplicates Z: 10 11.972 1.851 0.565 0.890 1.000 0.667 CB 0.991 10 residues pruned to eliminate duplicates Z: 10 14.206 2.031 0.354 0.916 0.889 0.778 CB 1.368 10 residues pruned to eliminate duplicates Z: 27 33.105 1.964 0.726 0.912 1.000 0.846 CB 1.356 27 residues pruned to eliminate duplicates Z: 20 23.018 1.871 0.500 0.943 1.000 0.895 CB 1.304 20 residues pruned to eliminate duplicates Z: 13 19.434 1.838 0.760 0.842 1.000 0.917 CB 1.292 12 residues pruned to eliminate duplicates Z: 8 10.505 1.812 0.575 0.827 1.000 0.714 CB 1.048 8 residues pruned to eliminate duplicates Z: 24 30.575 1.922 0.767 0.897 0.957 0.870 CB 1.405 24 residues pruned to eliminate duplicates Z: 6 7.481 1.795 0.430 0.633 1.000 1.000 CB 1.150 Z: 9 14.264 1.771 0.529 0.890 1.000 0.875 CB 1.339 9 residues pruned to eliminate duplicates Z: 27 34.008 1.968 0.737 0.906 1.000 0.885 CB 1.388 27 residues pruned to eliminate duplicates Z: 14 16.010 1.830 0.493 0.856 0.923 0.615 CB 1.298 14 residues pruned to eliminate duplicates Z: 24 28.669 1.919 0.757 0.848 1.000 0.870 CB 1.315 24 residues pruned to eliminate duplicates Z: 22 30.202 1.977 0.811 0.928 1.000 0.952 CB 1.289 22 residues pruned to eliminate duplicates Z: 14 27.801 1.981 1.069 0.934 1.000 0.923 CB 1.312 14 residues pruned to eliminate duplicates Z: 28 21.347 1.793 0.885 0.896 0.889 0.667 CB 0.980 28 residues pruned to eliminate duplicates Z: 13 10.361 1.752 0.498 0.779 0.750 0.417 CB 1.188 13 residues pruned to eliminate duplicates Z: 12 12.361 1.601 0.795 0.900 1.000 0.636 CB 0.927 12 residues pruned to eliminate duplicates Z: 22 16.283 1.773 0.223 0.919 1.000 0.952 CB 1.155 22 residues pruned to eliminate duplicates Z: 20 25.717 1.853 1.086 0.931 1.000 0.632 CB 1.066 20 residues pruned to eliminate duplicates Z: 17 21.457 1.780 0.730 0.876 1.000 0.750 CB 1.266 17 residues pruned to eliminate duplicates Z: 13 11.856 1.600 0.802 0.798 0.833 0.500 CB 1.098 13 residues pruned to eliminate duplicates Z: 26 21.126 1.770 0.592 0.859 0.920 0.880 CB 1.199 26 residues pruned to eliminate duplicates Z: 23 25.285 1.934 0.602 0.946 1.000 0.864 CB 1.203 23 residues pruned to eliminate duplicates Z: 17 13.008 1.575 0.623 0.849 0.938 0.625 CB 1.006 13 residues pruned to eliminate duplicates Z: 18 14.971 1.922 0.239 0.912 0.941 0.941 CB 1.148 18 residues pruned to eliminate duplicates Z: 26 33.780 1.966 0.724 0.913 1.000 0.880 CB 1.410 26 residues pruned to eliminate duplicates Z: 10 12.527 1.912 0.505 0.887 1.000 0.778 CB 1.046 10 residues pruned to eliminate duplicates Z: 18 19.630 1.800 0.523 0.902 1.000 0.882 CB 1.239 18 residues pruned to eliminate duplicates Z: 19 23.309 1.778 0.875 0.946 1.000 0.778 CB 1.140 19 residues pruned to eliminate duplicates Z: 23 34.808 1.984 1.029 0.933 1.000 0.864 CB 1.287 23 residues pruned to eliminate duplicates Z: 25 26.805 1.946 0.653 0.933 0.958 0.875 CB 1.239 25 residues pruned to eliminate duplicates Z: 19 22.043 1.804 0.669 0.905 1.000 0.944 CB 1.229 19 residues pruned to eliminate duplicates Z: 19 20.873 1.778 0.732 0.845 0.944 0.889 CB 1.258 19 residues pruned to eliminate duplicates Z: 13 11.405 1.668 0.435 0.822 0.917 0.833 CB 1.135 13 residues pruned to eliminate duplicates Z: 29 22.344 1.698 0.539 0.855 0.964 0.857 CB 1.237 29 residues pruned to eliminate duplicates Z: 8 6.892 1.438 0.792 0.825 0.857 0.857 CB 0.890 Z: 26 21.886 1.885 0.405 0.906 1.000 0.840 CB 1.176 26 residues pruned to eliminate duplicates Z: 13 16.693 1.867 0.483 0.868 0.917 0.833 CB 1.388 13 residues pruned to eliminate duplicates Z: 9 10.217 1.959 0.480 0.886 1.000 0.875 CB 0.899 9 residues pruned to eliminate duplicates Z: 14 19.778 1.986 0.887 0.893 1.000 0.923 CB 1.051 14 residues pruned to eliminate duplicates Z: 12 7.470 1.641 0.283 0.803 0.909 0.727 CB 0.903 12 residues pruned to eliminate duplicates Z: 27 34.646 1.931 0.878 0.917 1.000 0.692 CB 1.322 27 residues pruned to eliminate duplicates Z: 18 23.813 1.819 0.828 0.931 1.000 0.882 CB 1.214 18 residues pruned to eliminate duplicates Z: 19 25.168 1.932 0.766 0.935 1.000 0.778 CB 1.212 20 residues pruned to eliminate duplicates Z: 20 29.058 1.923 0.795 0.893 1.000 0.895 CB 1.386 20 residues pruned to eliminate duplicates Z: 32 32.557 1.871 0.963 0.862 0.903 0.645 CB 1.295 32 residues pruned to eliminate duplicates Z: 19 14.973 1.522 0.608 0.890 1.000 0.833 CB 1.037 19 residues pruned to eliminate duplicates Z: 16 22.029 1.998 0.654 0.906 1.000 0.867 CB 1.224 16 residues pruned to eliminate duplicates Z: 23 20.159 1.965 0.401 0.892 1.000 0.773 CB 1.122 23 residues pruned to eliminate duplicates Z: 10 15.255 1.890 0.548 0.870 1.000 0.778 CB 1.270 10 residues pruned to eliminate duplicates Z: 17 12.155 1.663 0.621 0.809 0.938 0.625 CB 0.918 17 residues pruned to eliminate duplicates Z: 28 25.867 1.783 0.704 0.899 1.000 0.889 CB 1.171 28 residues pruned to eliminate duplicates Z: 7 3.749 1.618 0.358 0.819 0.833 0.833 CB 0.633 Z: 15 20.802 1.740 0.668 0.895 1.000 0.643 CB 1.373 13 residues pruned to eliminate duplicates Z: 18 26.519 1.919 1.133 0.923 0.941 0.588 CB 1.173 18 residues pruned to eliminate duplicates Z: 19 23.717 1.793 0.698 0.902 1.000 0.889 CB 1.310 19 residues pruned to eliminate duplicates Z: 24 35.714 1.936 0.985 0.924 1.000 0.826 CB 1.360 23 residues pruned to eliminate duplicates Z: 15 14.633 1.640 0.572 0.885 0.929 0.786 CA 1.180 15 residues pruned to eliminate duplicates Z: 11 12.623 1.437 0.760 0.856 1.000 0.800 CB 1.163 Z: 16 26.197 2.053 0.721 0.935 1.000 0.867 CB 1.334 16 residues pruned to eliminate duplicates Z: 18 17.296 1.789 0.545 0.909 0.941 0.941 CB 1.144 18 residues pruned to eliminate duplicates Z: 10 13.275 1.680 0.657 0.917 1.000 0.778 CB 1.122 10 residues pruned to eliminate duplicates Z: 17 22.223 1.924 0.570 0.883 0.938 0.812 CB 1.419 17 residues pruned to eliminate duplicates Z: 14 13.867 1.675 0.590 0.926 0.923 0.846 CB 1.098 14 residues pruned to eliminate duplicates Z: 25 20.244 1.781 0.544 0.824 1.000 0.750 CB 1.135 25 residues pruned to eliminate duplicates Z: 11 9.156 1.656 0.820 0.801 0.800 0.300 CB 0.923 11 residues pruned to eliminate duplicates Z: 21 20.316 1.724 0.672 0.844 1.000 0.650 CB 1.172 21 residues pruned to eliminate duplicates Z: 19 17.784 1.664 0.526 0.847 0.944 0.722 CB 1.297 19 residues pruned to eliminate duplicates Z: 21 17.455 1.790 0.746 0.861 0.850 0.700 CB 1.079 19 residues pruned to eliminate duplicates Z: 30 21.299 1.751 0.547 0.863 0.966 0.828 CB 1.110 30 residues pruned to eliminate duplicates Z: 9 15.977 1.654 1.047 0.868 0.875 0.500 CA 1.394 11 residues pruned to eliminate duplicates Z: 17 20.171 1.922 0.409 0.910 1.000 0.875 CB 1.321 16 residues pruned to eliminate duplicates Z: 27 23.371 1.770 0.704 0.861 1.000 0.654 CB 1.117 27 residues pruned to eliminate duplicates Z: 22 20.088 1.912 0.317 0.916 0.952 0.810 CB 1.290 22 residues pruned to eliminate duplicates Z: 27 24.640 1.790 0.807 0.874 0.885 0.577 CB 1.228 27 residues pruned to eliminate duplicates Z: 17 23.588 1.992 0.691 0.898 1.000 0.875 CB 1.252 17 residues pruned to eliminate duplicates Z: 23 25.640 1.887 0.555 0.924 1.000 0.909 CB 1.309 23 residues pruned to eliminate duplicates Z: 8 15.221 1.669 1.146 0.849 1.000 0.857 CB 1.190 8 residues pruned to eliminate duplicates Z: 26 28.147 1.927 0.838 0.904 1.000 0.880 CB 1.132 26 residues pruned to eliminate duplicates Z: 26 32.750 1.978 0.764 0.930 1.000 0.920 CB 1.313 26 residues pruned to eliminate duplicates Z: 26 15.969 1.733 0.408 0.797 0.960 0.760 CB 1.051 26 residues pruned to eliminate duplicates Z: 9 12.983 1.968 0.232 0.931 1.000 1.000 CB 1.323 9 residues pruned to eliminate duplicates Z: 19 20.827 1.757 0.570 0.920 1.000 0.944 CB 1.253 19 residues pruned to eliminate duplicates Z: 26 25.195 1.795 0.507 0.926 1.000 0.840 CB 1.307 26 residues pruned to eliminate duplicates Z: 8 2.276 1.436 0.424 0.325 0.714 0.571 CB 0.714 Z: 22 21.980 1.765 0.929 0.888 1.000 0.714 CB 1.015 22 residues pruned to eliminate duplicates Z: 23 32.275 1.961 0.839 0.929 0.955 0.909 CB 1.399 23 residues pruned to eliminate duplicates Z: 9 12.758 1.724 0.621 0.899 1.000 0.875 CB 1.153 9 residues pruned to eliminate duplicates Z: 28 22.478 1.757 0.750 0.874 0.963 0.667 CB 1.063 28 residues pruned to eliminate duplicates Z: 12 14.490 1.838 0.555 0.907 0.909 0.727 CB 1.195 12 residues pruned to eliminate duplicates Z: 25 19.188 1.835 0.913 0.849 0.875 0.458 CB 0.945 25 residues pruned to eliminate duplicates Z: 8 11.027 1.687 0.638 0.870 1.000 0.857 CB 1.101 8 residues pruned to eliminate duplicates Z: 19 23.187 1.863 0.735 0.888 0.944 0.778 CB 1.290 19 residues pruned to eliminate duplicates Z: 11 10.709 1.617 0.629 0.846 1.000 0.700 CB 0.955 11 residues pruned to eliminate duplicates Z: 9 17.664 1.638 1.039 0.854 1.000 1.000 CB 1.381 9 residues pruned to eliminate duplicates Z: 7 5.530 1.540 0.841 0.867 1.000 0.833 CB 0.583 7 residues pruned to eliminate duplicates Z: 23 16.398 1.730 0.418 0.815 0.909 0.682 CB 1.192 23 residues pruned to eliminate duplicates Z: 12 7.386 1.611 0.715 0.452 0.727 0.636 CB 1.164 12 residues pruned to eliminate duplicates Z: 22 23.777 1.935 0.775 0.936 1.000 0.810 CB 1.052 22 residues pruned to eliminate duplicates Z: 16 20.380 1.984 0.374 0.927 1.000 0.867 CB 1.353 16 residues pruned to eliminate duplicates Z: 17 21.061 1.951 0.892 0.896 0.938 0.750 CB 1.090 17 residues pruned to eliminate duplicates Z: 12 17.927 1.864 0.490 0.839 1.000 1.000 CA 1.455 12 residues pruned to eliminate duplicates Z: 7 6.058 1.412 0.625 0.834 1.000 0.667 CB 0.808 Z: 25 25.933 1.940 0.719 0.892 1.000 0.792 CB 1.140 25 residues pruned to eliminate duplicates Z: 20 20.144 1.820 1.000 0.881 0.947 0.368 CB 0.971 20 residues pruned to eliminate duplicates Z: 6 7.333 1.679 0.509 0.824 1.000 1.000 CB 0.977 7 residues pruned to eliminate duplicates Z: 26 25.298 1.777 0.857 0.910 0.960 0.720 CB 1.132 29 residues pruned to eliminate duplicates Z: 24 16.111 1.549 0.653 0.865 0.957 0.696 CB 1.005 24 residues pruned to eliminate duplicates Z: 23 33.216 1.973 0.906 0.911 1.000 0.818 CB 1.334 23 residues pruned to eliminate duplicates Z: 9 9.507 1.690 0.585 0.500 0.875 0.750 N 1.435 9 residues pruned to eliminate duplicates Z: 13 11.983 1.671 0.570 0.886 1.000 0.833 CB 0.952 13 residues pruned to eliminate duplicates Z: 13 13.244 1.706 0.351 0.878 0.917 0.833 CA 1.313 13 residues pruned to eliminate duplicates Z: 11 15.583 1.635 0.854 0.856 0.900 0.800 CB 1.331 11 residues pruned to eliminate duplicates Z: 7 2.954 1.208 0.049 0.490 1.000 0.500 CB 0.961 7 residues pruned to eliminate duplicates Z: 15 21.422 1.695 0.981 0.876 1.000 0.929 CB 1.238 15 residues pruned to eliminate duplicates Z: 9 10.492 1.752 0.442 0.822 1.000 0.500 CB 1.111 9 residues pruned to eliminate duplicates Z: 9 8.659 1.612 0.850 0.683 0.875 0.750 CB 0.992 9 residues pruned to eliminate duplicates Z: 17 20.306 1.969 0.423 0.897 1.000 0.938 CB 1.297 17 residues pruned to eliminate duplicates Z: 34 23.742 1.748 0.793 0.726 0.909 0.667 CB 1.183 33 residues pruned to eliminate duplicates Z: 26 20.891 1.786 0.511 0.856 0.960 0.680 CB 1.189 26 residues pruned to eliminate duplicates Z: 23 28.864 1.945 0.888 0.919 1.000 0.773 CB 1.181 23 residues pruned to eliminate duplicates Z: 26 30.106 1.948 0.630 0.917 1.000 0.920 CB 1.338 26 residues pruned to eliminate duplicates Z: 27 31.603 1.895 0.734 0.907 1.000 0.885 CB 1.341 27 residues pruned to eliminate duplicates Z: 24 18.248 1.763 0.586 0.803 0.957 0.696 CB 1.092 24 residues pruned to eliminate duplicates Z: 12 11.992 1.731 0.617 0.887 0.818 0.545 CB 1.138 12 residues pruned to eliminate duplicates Z: 9 2.588 1.140 0.378 0.288 0.875 0.375 CB 0.845 Z: 16 26.384 2.042 0.953 0.920 0.933 0.667 CB 1.289 16 residues pruned to eliminate duplicates Z: 23 17.117 1.670 0.818 0.783 0.955 0.545 CB 0.981 23 residues pruned to eliminate duplicates Z: 21 25.163 1.826 0.991 0.906 0.950 0.700 CB 1.159 21 residues pruned to eliminate duplicates Z: 15 16.912 1.957 0.368 0.926 1.000 0.929 CB 1.184 15 residues pruned to eliminate duplicates Z: 6 2.352 1.471 0.442 0.485 0.600 0.600 C 0.839 Z: 22 26.580 1.914 0.612 0.796 1.000 0.810 CB 1.451 22 residues pruned to eliminate duplicates Z: 6 5.404 1.412 0.637 0.765 0.800 0.600 N 1.033 Z: 25 28.376 1.931 0.831 0.930 1.000 0.917 CB 1.146 25 residues pruned to eliminate duplicates Z: 12 8.389 1.574 0.617 0.790 0.909 0.636 CB 0.848 12 residues pruned to eliminate duplicates Z: 8 5.130 1.482 0.632 0.142 1.000 0.429 N 1.249 Z: 27 20.495 1.714 0.592 0.857 1.000 0.538 CB 1.086 27 residues pruned to eliminate duplicates Z: 24 36.842 1.952 0.989 0.939 1.000 0.913 CB 1.375 24 residues pruned to eliminate duplicates Z: 8 5.532 1.421 0.565 0.759 0.857 0.714 CB 0.871 8 residues pruned to eliminate duplicates Z: 15 21.829 1.967 0.827 0.872 1.000 0.857 CB 1.184 15 residues pruned to eliminate duplicates 7 1.602 1.318 0.605 0.486 0.500 0.500 C 0.627 ? Z: 19 19.427 1.783 0.682 0.900 0.944 0.778 CB 1.154 18 residues pruned to eliminate duplicates Z: 21 21.180 1.745 0.815 0.901 0.950 0.800 CB 1.123 21 residues pruned to eliminate duplicates Z: 24 16.089 1.574 0.500 0.894 1.000 0.870 CB 1.019 24 residues pruned to eliminate duplicates Z: 27 19.672 1.763 0.675 0.875 0.923 0.615 CB 1.030 27 residues pruned to eliminate duplicates Z: 27 22.792 1.791 0.595 0.900 1.000 0.808 CB 1.117 27 residues pruned to eliminate duplicates Z: 19 24.206 1.968 0.676 0.811 1.000 0.778 CB 1.320 18 residues pruned to eliminate duplicates Z: 7 2.719 1.412 0.224 0.476 0.833 0.833 CB 0.790 Z: 21 29.335 1.974 1.111 0.922 1.000 0.700 CB 1.107 21 residues pruned to eliminate duplicates Z: 8 2.200 1.312 0.625 0.172 0.714 0.286 CB 0.813 Z: 29 25.992 1.818 0.664 0.913 1.000 0.679 CB 1.149 29 residues pruned to eliminate duplicates Z: 22 7.207 1.605 0.687 0.389 0.619 0.381 CB 1.055 24 residues pruned to eliminate duplicates Z: 25 30.639 1.904 0.911 0.864 0.958 0.833 CB 1.315 25 residues pruned to eliminate duplicates Z: 14 11.216 1.932 0.390 0.615 0.923 0.769 CB 1.125 14 residues pruned to eliminate duplicates Z: 13 13.397 1.740 0.730 0.692 0.917 0.667 CB 1.175 13 residues pruned to eliminate duplicates Z: 6 5.440 1.597 0.680 0.857 1.000 1.000 CB 0.668 6 1.274 1.144 0.125 0.100 0.800 0.600 O 0.922 ? Z: 18 19.631 1.749 0.695 0.865 0.941 0.941 CA 1.250 18 residues pruned to eliminate duplicates 10 1.846 1.280 0.167 0.120 0.778 0.444 C 0.854 ? Z: 11 10.823 1.669 0.613 0.750 1.000 0.700 CB 1.017 11 residues pruned to eliminate duplicates Z: 6 2.070 1.325 0.086 0.310 0.800 0.400 C 0.993 Z: 27 20.245 1.760 0.439 0.909 1.000 0.885 CB 1.113 27 residues pruned to eliminate duplicates Z: 18 27.097 1.896 0.717 0.898 1.000 0.765 CB 1.444 17 residues pruned to eliminate duplicates Z: 6 4.907 1.492 0.586 0.527 0.800 0.400 CB 1.129 Z: 12 14.913 1.610 0.845 0.889 1.000 0.727 CB 1.090 12 residues pruned to eliminate duplicates Z: 27 17.414 1.728 0.436 0.848 0.923 0.731 CB 1.106 27 residues pruned to eliminate duplicates Z: 10 2.642 1.438 0.460 0.347 0.556 0.333 CB 0.891 Z: 9 9.744 1.612 0.723 0.815 0.875 0.750 N 1.078 9 residues pruned to eliminate duplicates Z: 17 19.357 1.775 0.955 0.911 1.000 0.688 CB 0.988 17 residues pruned to eliminate duplicates Z: 26 29.749 1.948 0.600 0.915 1.000 1.000 CB 1.349 26 residues pruned to eliminate duplicates Z: 9 14.148 1.946 0.358 0.896 1.000 1.000 CA 1.356 9 residues pruned to eliminate duplicates Z: 8 8.418 1.393 0.555 0.850 1.000 1.000 CB 1.089 8 residues pruned to eliminate duplicates Z: 19 23.317 1.806 0.679 0.910 1.000 0.833 CB 1.286 19 residues pruned to eliminate duplicates Z: 10 12.660 1.629 0.816 0.807 0.889 0.778 CA 1.227 10 residues pruned to eliminate duplicates Z: 6 7.287 1.723 0.316 0.834 1.000 0.800 CB 1.077 7 residues pruned to eliminate duplicates Z: 7 4.399 1.610 0.390 0.511 1.000 0.500 CA 0.794 6 residues pruned to eliminate duplicates Z: 15 28.543 2.072 1.048 0.900 1.000 0.571 CB 1.284 18 residues pruned to eliminate duplicates Z: 29 30.766 1.797 0.746 0.919 1.000 0.786 CB 1.306 28 residues pruned to eliminate duplicates Z: 22 13.882 1.507 0.757 0.811 0.952 0.810 CB 0.916 22 residues pruned to eliminate duplicates Z: 28 28.369 1.812 1.065 0.748 0.963 0.519 CB 1.214 28 residues pruned to eliminate duplicates Z: 25 23.796 1.908 0.590 0.917 1.000 0.917 CB 1.130 25 residues pruned to eliminate duplicates Z: 11 3.463 1.412 0.365 0.237 0.700 0.300 CB 1.101 Z: 22 20.997 1.781 0.885 0.878 1.000 0.667 CB 0.990 22 residues pruned to eliminate duplicates Z: 10 7.164 1.569 0.778 0.813 0.667 0.444 CB 0.978 10 residues pruned to eliminate duplicates Z: 16 20.852 1.973 0.492 0.910 1.000 0.867 CB 1.297 16 residues pruned to eliminate duplicates Z: 16 16.461 1.783 0.891 0.873 0.800 0.400 CB 1.148 16 residues pruned to eliminate duplicates Z: 13 9.240 1.626 0.773 0.731 0.750 0.500 CB 1.002 13 residues pruned to eliminate duplicates Z: 13 8.611 1.838 -0.012 0.738 0.917 0.833 CB 1.207 13 residues pruned to eliminate duplicates Z: 9 10.960 1.745 0.927 0.865 1.000 0.500 CB 0.845 9 residues pruned to eliminate duplicates Z: 16 25.497 2.016 0.900 0.908 0.933 0.733 CB 1.308 16 residues pruned to eliminate duplicates Z: 21 17.968 1.833 0.410 0.858 1.000 0.850 CB 1.144 21 residues pruned to eliminate duplicates Z: 11 14.331 1.810 0.783 0.722 0.900 0.700 CB 1.277 11 residues pruned to eliminate duplicates Z: 9 13.287 1.689 0.876 0.756 1.000 0.500 CB 1.181 9 residues pruned to eliminate duplicates Z: 8 4.849 1.447 0.475 0.546 0.857 0.714 CB 0.958 Z: 14 7.616 1.364 0.426 0.797 1.000 0.538 CB 0.837 16 residues pruned to eliminate duplicates Z: 8 2.837 1.264 0.391 0.403 0.714 0.429 CB 0.946 Z: 13 12.054 1.749 0.515 0.848 0.750 0.667 CB 1.299 13 residues pruned to eliminate duplicates Z: 13 11.727 1.603 0.637 0.790 0.917 0.500 CB 1.091 13 residues pruned to eliminate duplicates Z: 7 3.694 1.442 0.536 0.480 0.833 0.500 CB 0.834 Z: 19 30.763 1.925 1.126 0.942 1.000 0.722 CB 1.229 19 residues pruned to eliminate duplicates Z: 6 2.403 1.339 0.128 0.383 0.800 0.400 O 1.006 Z: 23 16.435 1.579 0.443 0.903 1.000 0.864 CB 1.096 23 residues pruned to eliminate duplicates Z: 23 20.698 1.689 0.713 0.914 1.000 0.636 CB 1.078 23 residues pruned to eliminate duplicates Z: 24 23.858 1.712 0.754 0.877 1.000 0.739 CB 1.203 22 residues pruned to eliminate duplicates Z: 10 4.640 1.461 0.287 0.821 1.000 0.556 CB 0.623 10 residues pruned to eliminate duplicates Z: 8 11.257 1.801 0.526 0.624 1.000 0.714 CB 1.378 11 residues pruned to eliminate duplicates Z: 29 18.970 1.735 0.390 0.763 0.893 0.714 CB 1.318 29 residues pruned to eliminate duplicates Z: 28 24.644 1.753 0.771 0.856 0.926 0.667 CB 1.217 28 residues pruned to eliminate duplicates 349 residues left after pruning, divided into chains as follows: A: 9 B: 9 C: 27 D: 23 E: 24 F: 7 G: 30 H: 27 I: 17 J: 24 K: 16 L: 66 M: 30 N: 28 O: 12 CC for partial structure against native data = 44.60 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.456, Connect. = 0.689 for dens.mod. cycle 1 = 0.300, Contrast = 0.531, Connect. = 0.722 for dens.mod. cycle 2 = 0.300, Contrast = 0.638, Connect. = 0.749 for dens.mod. cycle 3 = 0.300, Contrast = 0.649, Connect. = 0.750 for dens.mod. cycle 4 = 0.300, Contrast = 0.661, Connect. = 0.751 for dens.mod. cycle 5 = 0.300, Contrast = 0.665, Connect. = 0.753 for dens.mod. cycle 6 = 0.300, Contrast = 0.669, Connect. = 0.754 for dens.mod. cycle 7 = 0.300, Contrast = 0.671, Connect. = 0.755 for dens.mod. cycle 8 = 0.300, Contrast = 0.673, Connect. = 0.756 for dens.mod. cycle 9 = 0.300, Contrast = 0.674, Connect. = 0.757 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1265 peaks > 0.5 sigma used to seed fragment search Space for about 536 unique residues taking solvent into account 376 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 24 46.258 2.167 0.906 0.925 1.000 0.826 CB 1.639 B: 16 27.230 2.155 0.654 0.918 0.933 0.867 CB 1.490 C: 24 39.631 2.174 0.679 0.948 0.957 0.870 CB 1.635 24 residues pruned to eliminate duplicates D: 25 35.195 2.119 0.476 0.942 1.000 0.917 CB 1.593 25 residues pruned to eliminate duplicates E: 24 37.456 2.174 0.650 0.920 0.957 0.739 CB 1.603 24 residues pruned to eliminate duplicates F: 24 27.634 2.077 0.623 0.889 0.957 0.870 CB 1.286 G: 23 32.924 2.170 0.609 0.933 1.000 0.909 CB 1.403 24 residues pruned to eliminate duplicates H: 24 28.188 2.053 0.565 0.925 1.000 0.957 CB 1.284 24 residues pruned to eliminate duplicates I: 16 23.518 2.142 0.494 0.902 0.933 0.800 CB 1.450 16 residues pruned to eliminate duplicates J: 17 28.888 2.046 0.717 0.885 0.938 0.750 CB 1.583 K: 24 42.014 2.162 0.768 0.931 0.957 0.913 CB 1.675 24 residues pruned to eliminate duplicates L: 24 31.724 2.110 0.681 0.890 1.000 0.870 CB 1.342 24 residues pruned to eliminate duplicates M: 23 30.200 2.164 0.525 0.926 1.000 0.818 CB 1.368 23 residues pruned to eliminate duplicates N: 24 29.157 2.121 0.623 0.897 1.000 0.957 CB 1.264 24 residues pruned to eliminate duplicates O: 9 13.214 2.091 0.346 0.883 1.000 0.750 CB 1.201 9 residues pruned to eliminate duplicates P: 16 31.821 2.167 0.981 0.920 0.933 0.867 CB 1.443 16 residues pruned to eliminate duplicates Q: 20 19.587 1.891 0.500 0.876 0.895 0.789 CB 1.287 R: 16 29.475 2.168 0.612 0.921 1.000 0.933 CB 1.532 16 residues pruned to eliminate duplicates S: 15 26.080 2.120 0.939 0.928 0.929 0.786 CB 1.278 15 residues pruned to eliminate duplicates T: 16 19.911 2.084 0.434 0.923 0.933 0.867 CB 1.296 16 residues pruned to eliminate duplicates U: 14 28.247 2.126 0.698 0.918 1.000 1.000 CB 1.530 15 residues pruned to eliminate duplicates V: 23 36.119 2.167 0.528 0.938 1.000 0.909 CB 1.616 23 residues pruned to eliminate duplicates W: 20 29.473 1.900 1.053 0.903 0.895 0.684 CB 1.381 X: 26 38.291 2.029 0.678 0.920 1.000 0.880 CA 1.583 Y: 25 31.500 1.883 1.011 0.905 0.917 0.458 CB 1.318 Z: 27 38.788 2.091 0.862 0.905 1.000 0.808 CB 1.390 26 residues pruned to eliminate duplicates Z: 29 33.776 1.914 0.656 0.914 0.964 0.714 CB 1.477 Z: 16 33.788 2.145 0.913 0.930 1.000 0.867 CB 1.487 16 residues pruned to eliminate duplicates Z: 16 29.037 2.155 0.972 0.910 0.933 0.800 CB 1.341 16 residues pruned to eliminate duplicates Z: 25 24.906 2.071 0.418 0.890 1.000 0.792 CB 1.245 25 residues pruned to eliminate duplicates Z: 17 31.750 2.070 0.676 0.902 1.000 1.000 CB 1.631 17 residues pruned to eliminate duplicates Z: 20 23.836 1.881 0.778 0.854 0.947 0.895 CB 1.275 19 residues pruned to eliminate duplicates Z: 20 29.688 1.969 0.869 0.939 0.947 0.737 CB 1.357 20 residues pruned to eliminate duplicates Z: 25 42.162 2.125 0.759 0.929 1.000 0.833 CB 1.612 25 residues pruned to eliminate duplicates Z: 18 22.863 1.917 0.353 0.911 1.000 0.882 CB 1.516 18 residues pruned to eliminate duplicates Z: 25 40.254 2.094 0.741 0.905 1.000 0.792 CB 1.605 25 residues pruned to eliminate duplicates Z: 16 29.891 2.097 0.822 0.912 1.000 0.800 CB 1.431 16 residues pruned to eliminate duplicates Z: 12 21.661 1.993 0.596 0.895 1.000 0.727 CB 1.472 Z: 21 28.089 1.909 0.643 0.900 1.000 0.800 CB 1.430 20 residues pruned to eliminate duplicates Z: 15 21.897 2.112 0.574 0.887 0.929 0.857 CB 1.367 15 residues pruned to eliminate duplicates Z: 16 25.321 2.015 0.577 0.886 0.933 0.867 CA 1.590 16 residues pruned to eliminate duplicates Z: 24 47.279 2.173 1.017 0.954 0.957 0.652 CB 1.617 24 residues pruned to eliminate duplicates Z: 19 17.400 1.748 0.292 0.897 0.944 0.889 CA 1.377 19 residues pruned to eliminate duplicates Z: 23 28.126 1.883 0.562 0.899 1.000 0.818 CA 1.458 23 residues pruned to eliminate duplicates Z: 21 31.914 1.976 0.638 0.903 1.000 0.900 CB 1.571 Z: 24 30.887 2.104 0.714 0.874 1.000 0.739 CB 1.300 24 residues pruned to eliminate duplicates Z: 27 37.884 2.062 0.927 0.911 0.962 0.769 CB 1.378 27 residues pruned to eliminate duplicates Z: 21 30.433 1.930 0.826 0.897 0.950 0.900 CB 1.454 21 residues pruned to eliminate duplicates Z: 21 40.972 2.016 1.045 0.892 1.000 0.850 CB 1.597 21 residues pruned to eliminate duplicates Z: 27 30.689 1.871 0.734 0.895 0.962 0.885 CB 1.383 21 residues pruned to eliminate duplicates Z: 20 31.331 1.944 0.939 0.931 1.000 0.684 CB 1.333 20 residues pruned to eliminate duplicates Z: 20 29.980 1.964 0.548 0.924 1.000 0.895 CB 1.589 20 residues pruned to eliminate duplicates Z: 26 29.137 1.866 0.577 0.938 1.000 0.920 CB 1.377 26 residues pruned to eliminate duplicates Z: 26 37.818 2.085 0.774 0.912 1.000 0.880 CB 1.448 26 residues pruned to eliminate duplicates Z: 26 37.073 2.083 0.777 0.917 1.000 0.920 CB 1.414 26 residues pruned to eliminate duplicates Z: 32 28.921 1.863 0.440 0.901 0.968 0.903 CB 1.428 32 residues pruned to eliminate duplicates Z: 27 35.318 2.077 0.625 0.898 1.000 0.885 CB 1.468 27 residues pruned to eliminate duplicates Z: 21 29.490 1.910 0.615 0.894 1.000 0.900 CB 1.533 21 residues pruned to eliminate duplicates Z: 25 26.575 2.081 0.495 0.850 0.958 0.833 CB 1.348 25 residues pruned to eliminate duplicates Z: 18 25.792 1.904 0.469 0.898 1.000 0.882 CB 1.600 18 residues pruned to eliminate duplicates Z: 13 22.350 2.016 0.563 0.873 1.000 0.833 CA 1.491 13 residues pruned to eliminate duplicates Z: 27 37.651 2.079 0.756 0.878 1.000 0.885 CB 1.468 27 residues pruned to eliminate duplicates Z: 16 29.532 2.167 0.840 0.920 1.000 0.800 CB 1.346 16 residues pruned to eliminate duplicates Z: 9 12.662 1.857 0.343 0.848 1.000 0.750 CB 1.333 Z: 16 29.441 2.196 0.805 0.908 0.933 0.667 CB 1.459 16 residues pruned to eliminate duplicates Z: 22 28.361 1.979 0.536 0.848 0.952 0.810 CA 1.586 22 residues pruned to eliminate duplicates Z: 27 25.977 1.882 0.470 0.888 1.000 0.846 CB 1.327 25 residues pruned to eliminate duplicates Z: 25 37.505 2.110 0.665 0.926 1.000 0.917 CB 1.528 25 residues pruned to eliminate duplicates Z: 20 26.976 1.944 0.672 0.897 1.000 0.842 CB 1.363 21 residues pruned to eliminate duplicates Z: 14 21.672 1.945 0.477 0.910 1.000 1.000 CA 1.483 12 residues pruned to eliminate duplicates Z: 27 28.471 1.881 0.835 0.905 0.923 0.808 CB 1.248 27 residues pruned to eliminate duplicates Z: 25 18.888 1.673 0.510 0.849 0.958 0.667 CB 1.181 Z: 26 31.859 2.050 0.765 0.890 1.000 0.800 CB 1.266 25 residues pruned to eliminate duplicates Z: 19 25.605 1.976 0.513 0.905 1.000 0.778 CB 1.437 19 residues pruned to eliminate duplicates Z: 16 27.661 2.162 0.653 0.903 0.933 0.867 CB 1.526 16 residues pruned to eliminate duplicates Z: 21 20.310 1.854 0.894 0.895 0.850 0.500 CB 1.091 21 residues pruned to eliminate duplicates Z: 24 38.683 2.126 0.809 0.927 1.000 0.913 CB 1.469 23 residues pruned to eliminate duplicates Z: 25 26.980 2.086 0.447 0.911 1.000 0.750 CB 1.294 25 residues pruned to eliminate duplicates Z: 25 46.699 2.152 1.001 0.939 1.000 0.708 CB 1.539 25 residues pruned to eliminate duplicates Z: 20 24.629 1.863 0.549 0.923 1.000 0.895 CA 1.375 20 residues pruned to eliminate duplicates Z: 26 34.233 2.055 0.655 0.909 1.000 0.840 CB 1.429 26 residues pruned to eliminate duplicates Z: 28 26.990 1.883 0.465 0.936 1.000 0.815 CB 1.311 28 residues pruned to eliminate duplicates Z: 15 22.680 1.925 0.600 0.925 1.000 0.929 CB 1.380 14 residues pruned to eliminate duplicates Z: 31 22.708 1.707 0.612 0.909 1.000 0.867 CB 1.069 Z: 23 31.252 2.149 0.597 0.918 1.000 0.909 CB 1.370 23 residues pruned to eliminate duplicates Z: 26 30.840 1.918 0.815 0.879 0.960 0.840 CB 1.339 26 residues pruned to eliminate duplicates Z: 27 33.486 2.049 0.710 0.908 1.000 0.885 CB 1.331 27 residues pruned to eliminate duplicates Z: 15 13.199 1.851 0.378 0.742 0.786 0.500 CB 1.417 16 residues pruned to eliminate duplicates Z: 28 31.654 1.829 0.753 0.890 0.963 0.852 CB 1.419 27 residues pruned to eliminate duplicates Z: 10 12.105 1.937 0.356 0.885 1.000 0.667 CB 1.109 Z: 27 27.293 1.873 0.538 0.875 1.000 0.846 CB 1.351 27 residues pruned to eliminate duplicates Z: 15 24.133 2.118 0.464 0.904 1.000 1.000 CB 1.482 14 residues pruned to eliminate duplicates Z: 17 29.961 2.038 0.762 0.902 1.000 0.875 CB 1.488 17 residues pruned to eliminate duplicates Z: 9 12.271 1.776 0.323 0.870 1.000 0.875 CB 1.348 Z: 26 30.997 1.926 0.646 0.915 1.000 0.840 CB 1.381 26 residues pruned to eliminate duplicates Z: 25 19.048 1.668 0.620 0.856 1.000 0.875 CB 1.061 24 residues pruned to eliminate duplicates Z: 25 46.108 2.145 0.950 0.952 1.000 0.833 CB 1.550 25 residues pruned to eliminate duplicates Z: 9 14.181 2.176 0.285 0.903 1.000 0.625 CB 1.278 9 residues pruned to eliminate duplicates Z: 27 35.817 2.072 0.645 0.911 1.000 0.923 CB 1.460 27 residues pruned to eliminate duplicates Z: 24 42.042 2.180 0.771 0.942 1.000 0.783 CB 1.574 24 residues pruned to eliminate duplicates Z: 11 9.644 1.543 0.378 0.835 0.900 0.700 CA 1.194 10 residues pruned to eliminate duplicates Z: 9 12.620 1.857 0.373 0.832 1.000 0.875 CB 1.314 9 residues pruned to eliminate duplicates Z: 27 34.013 2.065 0.616 0.904 1.000 0.885 CB 1.424 27 residues pruned to eliminate duplicates Z: 27 37.544 2.067 0.679 0.924 1.000 0.885 CB 1.489 27 residues pruned to eliminate duplicates Z: 24 30.733 2.054 0.525 0.925 1.000 0.913 CB 1.436 24 residues pruned to eliminate duplicates Z: 20 23.173 1.798 0.597 0.909 1.000 0.895 CA 1.314 20 residues pruned to eliminate duplicates Z: 14 22.401 1.817 0.852 0.901 1.000 0.769 CB 1.317 14 residues pruned to eliminate duplicates Z: 30 21.418 1.735 0.566 0.878 1.000 0.690 CB 1.062 30 residues pruned to eliminate duplicates Z: 16 29.842 2.098 0.730 0.919 1.000 0.867 CB 1.496 16 residues pruned to eliminate duplicates Z: 27 28.507 1.906 0.689 0.915 0.962 0.846 CB 1.276 27 residues pruned to eliminate duplicates Z: 10 11.516 1.929 0.591 0.819 0.778 0.444 CB 1.219 10 residues pruned to eliminate duplicates Z: 27 39.543 2.089 0.771 0.928 1.000 0.885 CB 1.468 27 residues pruned to eliminate duplicates Z: 23 26.502 1.844 0.733 0.875 0.955 0.727 CB 1.347 23 residues pruned to eliminate duplicates Z: 9 11.732 2.169 -0.025 0.927 1.000 1.000 CB 1.375 9 residues pruned to eliminate duplicates Z: 27 32.595 2.062 0.482 0.917 1.000 1.000 CB 1.476 27 residues pruned to eliminate duplicates Z: 24 25.798 1.825 0.527 0.913 0.957 0.870 CB 1.428 24 residues pruned to eliminate duplicates Z: 26 30.768 1.843 0.704 0.897 1.000 0.880 CB 1.402 26 residues pruned to eliminate duplicates Z: 23 38.967 2.133 1.064 0.934 1.000 0.591 CB 1.316 24 residues pruned to eliminate duplicates Z: 15 21.216 2.010 0.475 0.863 0.929 0.714 CB 1.511 15 residues pruned to eliminate duplicates Z: 23 45.245 2.187 0.925 0.933 1.000 0.818 CB 1.599 23 residues pruned to eliminate duplicates Z: 15 31.668 1.990 0.931 0.922 1.000 1.000 CB 1.549 16 residues pruned to eliminate duplicates Z: 19 27.483 1.988 0.665 0.918 0.944 0.778 CB 1.462 19 residues pruned to eliminate duplicates Z: 16 28.921 2.083 0.761 0.905 1.000 0.867 CB 1.449 16 residues pruned to eliminate duplicates Z: 26 28.306 1.913 0.621 0.892 1.000 0.760 CB 1.312 26 residues pruned to eliminate duplicates Z: 12 17.773 1.965 0.624 0.873 0.818 0.818 CB 1.495 12 residues pruned to eliminate duplicates Z: 23 33.279 2.162 0.746 0.919 1.000 0.636 CB 1.324 23 residues pruned to eliminate duplicates Z: 30 19.522 1.671 0.638 0.834 0.966 0.828 CB 1.029 30 residues pruned to eliminate duplicates Z: 15 16.465 2.073 0.563 0.882 0.857 0.571 CB 1.146 15 residues pruned to eliminate duplicates Z: 17 26.321 2.061 0.525 0.867 1.000 0.812 CA 1.530 17 residues pruned to eliminate duplicates Z: 25 32.846 2.072 0.492 0.926 1.000 0.958 CB 1.521 25 residues pruned to eliminate duplicates Z: 17 14.509 1.730 0.356 0.842 0.938 0.750 CB 1.229 17 residues pruned to eliminate duplicates Z: 21 24.924 1.911 0.681 0.896 0.950 0.800 CB 1.309 21 residues pruned to eliminate duplicates Z: 29 38.091 1.951 0.962 0.929 1.000 0.643 CB 1.316 30 residues pruned to eliminate duplicates Z: 22 28.857 1.901 1.061 0.882 0.952 0.619 CB 1.221 19 residues pruned to eliminate duplicates Z: 22 26.940 1.876 0.837 0.886 0.952 0.762 CB 1.292 22 residues pruned to eliminate duplicates Z: 23 24.917 2.019 0.596 0.888 1.000 0.682 CB 1.189 22 residues pruned to eliminate duplicates Z: 26 31.219 2.069 0.659 0.883 0.960 0.840 CB 1.371 26 residues pruned to eliminate duplicates Z: 20 26.883 1.955 0.606 0.923 0.947 0.895 CB 1.457 20 residues pruned to eliminate duplicates Z: 27 29.745 1.990 0.543 0.860 0.962 0.808 CB 1.453 27 residues pruned to eliminate duplicates Z: 22 49.476 2.218 0.990 0.953 1.000 0.857 CB 1.683 22 residues pruned to eliminate duplicates Z: 23 34.380 2.145 0.949 0.908 1.000 0.818 CB 1.245 23 residues pruned to eliminate duplicates Z: 12 11.693 1.774 0.634 0.859 0.909 0.636 CB 0.984 9 residues pruned to eliminate duplicates Z: 24 35.731 2.111 0.709 0.896 1.000 0.783 CB 1.479 24 residues pruned to eliminate duplicates Z: 20 27.937 1.930 0.661 0.934 1.000 0.842 CB 1.394 20 residues pruned to eliminate duplicates Z: 8 12.429 1.979 0.288 0.851 1.000 0.857 CB 1.364 8 residues pruned to eliminate duplicates Z: 27 34.349 1.837 0.773 0.919 1.000 0.885 CB 1.458 28 residues pruned to eliminate duplicates Z: 20 24.139 2.051 0.347 0.925 1.000 1.000 CA 1.407 20 residues pruned to eliminate duplicates Z: 27 35.576 2.036 0.655 0.907 1.000 0.846 CB 1.472 27 residues pruned to eliminate duplicates Z: 19 21.298 1.949 0.454 0.914 0.944 0.889 CB 1.326 19 residues pruned to eliminate duplicates Z: 27 19.931 1.957 0.480 0.825 0.846 0.769 CB 1.203 27 residues pruned to eliminate duplicates Z: 20 23.676 1.911 0.609 0.890 0.947 0.842 CB 1.341 20 residues pruned to eliminate duplicates Z: 25 29.443 1.878 0.724 0.870 0.958 0.833 CB 1.414 26 residues pruned to eliminate duplicates Z: 15 20.600 2.123 0.228 0.907 1.000 1.000 CB 1.500 15 residues pruned to eliminate duplicates Z: 11 18.235 1.954 0.592 0.871 0.900 0.700 CB 1.503 11 residues pruned to eliminate duplicates Z: 17 25.133 1.911 0.911 0.860 0.938 0.688 CB 1.349 17 residues pruned to eliminate duplicates Z: 7 9.668 1.779 0.441 0.860 1.000 1.000 CB 1.131 Z: 24 44.990 2.168 1.030 0.951 0.957 0.826 CB 1.536 24 residues pruned to eliminate duplicates Z: 24 49.069 2.161 1.248 0.944 0.957 0.696 CB 1.525 24 residues pruned to eliminate duplicates Z: 21 29.942 1.989 0.665 0.882 0.950 0.850 CB 1.540 21 residues pruned to eliminate duplicates Z: 28 25.778 1.932 0.461 0.872 0.926 0.852 CB 1.384 29 residues pruned to eliminate duplicates Z: 15 16.813 1.883 0.264 0.886 1.000 0.714 CB 1.362 15 residues pruned to eliminate duplicates Z: 9 12.306 2.079 0.204 0.906 1.000 1.000 CB 1.236 10 residues pruned to eliminate duplicates Z: 25 43.520 2.147 0.905 0.939 0.958 0.875 CB 1.575 25 residues pruned to eliminate duplicates Z: 33 27.573 1.898 0.763 0.667 0.906 0.562 CB 1.378 26 residues pruned to eliminate duplicates Z: 29 27.318 1.822 0.494 0.874 1.000 0.964 CB 1.380 29 residues pruned to eliminate duplicates Z: 20 25.291 1.911 0.514 0.927 0.947 0.842 CB 1.484 20 residues pruned to eliminate duplicates Z: 23 26.275 2.143 0.250 0.946 1.000 0.955 CB 1.446 23 residues pruned to eliminate duplicates Z: 12 13.869 1.922 0.573 0.803 0.727 0.636 CB 1.459 12 residues pruned to eliminate duplicates Z: 28 28.141 1.904 0.922 0.855 0.963 0.630 CB 1.134 30 residues pruned to eliminate duplicates Z: 18 18.289 1.774 0.619 0.776 0.882 0.706 CA 1.372 18 residues pruned to eliminate duplicates Z: 25 37.286 2.053 0.781 0.895 1.000 0.833 CB 1.492 25 residues pruned to eliminate duplicates Z: 20 34.066 2.063 0.827 0.916 0.947 0.737 CB 1.545 20 residues pruned to eliminate duplicates Z: 13 12.268 1.759 0.381 0.615 0.917 0.750 CB 1.426 6 residues pruned to eliminate duplicates Z: 32 19.721 1.779 0.644 0.702 0.871 0.645 CB 1.157 32 residues pruned to eliminate duplicates Z: 9 15.597 2.158 0.591 0.901 1.000 0.625 CB 1.147 9 residues pruned to eliminate duplicates Z: 7 9.672 1.761 0.502 0.877 1.000 1.000 CB 1.084 7 residues pruned to eliminate duplicates Z: 24 33.678 2.116 0.882 0.898 1.000 0.652 CB 1.262 24 residues pruned to eliminate duplicates Z: 23 35.372 2.145 0.935 0.918 1.000 0.727 CB 1.281 23 residues pruned to eliminate duplicates Z: 30 21.211 1.718 0.685 0.889 0.966 0.655 CB 1.015 30 residues pruned to eliminate duplicates Z: 16 20.408 2.073 0.208 0.914 1.000 0.933 CB 1.488 16 residues pruned to eliminate duplicates Z: 16 12.278 1.699 0.434 0.589 0.933 0.800 CB 1.279 14 residues pruned to eliminate duplicates Z: 26 21.629 1.758 0.884 0.858 0.920 0.400 CB 1.046 26 residues pruned to eliminate duplicates Z: 7 7.587 1.692 0.476 0.815 1.000 1.000 CB 0.943 7 residues pruned to eliminate duplicates Z: 14 8.447 1.907 0.523 0.626 0.769 0.615 CB 0.932 14 residues pruned to eliminate duplicates Z: 23 15.099 1.669 0.577 0.851 0.818 0.636 CB 1.106 23 residues pruned to eliminate duplicates Z: 29 23.118 1.766 0.577 0.889 1.000 0.821 CB 1.130 31 residues pruned to eliminate duplicates Z: 10 9.228 1.726 0.120 0.841 1.000 0.778 CB 1.187 10 residues pruned to eliminate duplicates Z: 19 24.780 1.974 0.423 0.897 1.000 0.944 CA 1.489 19 residues pruned to eliminate duplicates Z: 27 38.090 2.058 0.979 0.910 0.962 0.731 CB 1.353 27 residues pruned to eliminate duplicates Z: 26 28.617 1.835 0.874 0.887 0.960 0.640 CB 1.250 26 residues pruned to eliminate duplicates Z: 25 33.430 2.069 0.622 0.892 1.000 0.833 CB 1.461 25 residues pruned to eliminate duplicates Z: 12 14.269 1.611 0.690 0.811 0.909 0.727 CB 1.326 12 residues pruned to eliminate duplicates Z: 16 28.349 1.968 0.717 0.892 1.000 0.867 CA 1.557 16 residues pruned to eliminate duplicates Z: 27 24.708 1.887 0.753 0.872 0.923 0.654 CB 1.157 27 residues pruned to eliminate duplicates Z: 49 31.637 1.852 0.742 0.706 0.938 0.646 CB 1.252 49 residues pruned to eliminate duplicates Z: 10 10.687 1.908 0.579 0.793 0.889 0.778 CB 1.029 10 residues pruned to eliminate duplicates Z: 23 32.231 2.124 0.912 0.911 0.955 0.500 CB 1.256 23 residues pruned to eliminate duplicates Z: 29 25.441 1.946 0.588 0.840 0.929 0.786 CB 1.250 29 residues pruned to eliminate duplicates 6 0.492 1.764 0.416 0.875 1.000 0.800 CB 0.064 ? Z: 31 23.045 1.790 0.865 0.848 0.867 0.633 CB 1.079 31 residues pruned to eliminate duplicates Z: 30 35.011 1.936 0.992 0.879 1.000 0.586 CB 1.223 30 residues pruned to eliminate duplicates Z: 11 14.292 1.647 0.464 0.867 1.000 0.800 O 1.371 11 residues pruned to eliminate duplicates Z: 18 21.388 1.885 0.358 0.937 1.000 0.941 CA 1.410 18 residues pruned to eliminate duplicates Z: 8 18.314 1.891 0.818 0.887 1.000 0.857 CB 1.452 8 residues pruned to eliminate duplicates Z: 19 23.341 1.950 0.441 0.891 0.944 0.889 CB 1.490 19 residues pruned to eliminate duplicates Z: 20 24.697 1.930 0.768 0.887 0.895 0.842 CB 1.337 20 residues pruned to eliminate duplicates Z: 13 20.659 2.000 0.495 0.886 1.000 0.583 CB 1.440 13 residues pruned to eliminate duplicates Z: 23 26.820 2.070 0.569 0.911 0.955 0.909 CB 1.307 23 residues pruned to eliminate duplicates Z: 23 34.888 2.131 0.867 0.937 1.000 0.773 CB 1.300 23 residues pruned to eliminate duplicates Z: 26 24.623 1.842 0.560 0.861 0.920 0.760 CB 1.368 26 residues pruned to eliminate duplicates Z: 27 24.590 1.874 0.413 0.853 0.962 0.769 CB 1.400 27 residues pruned to eliminate duplicates Z: 20 31.335 2.051 0.738 0.922 0.947 0.895 CB 1.497 20 residues pruned to eliminate duplicates Z: 11 11.630 1.680 0.477 0.808 0.900 0.800 CB 1.259 11 residues pruned to eliminate duplicates Z: 17 24.505 1.935 0.475 0.926 1.000 1.000 CB 1.505 17 residues pruned to eliminate duplicates Z: 20 30.332 2.024 0.582 0.917 1.000 0.895 CB 1.534 20 residues pruned to eliminate duplicates Z: 24 35.115 2.127 0.975 0.930 1.000 0.609 CB 1.219 24 residues pruned to eliminate duplicates Z: 10 13.797 2.004 0.689 0.931 1.000 0.667 CB 0.950 10 residues pruned to eliminate duplicates Z: 25 19.566 1.716 0.539 0.856 1.000 0.708 CB 1.115 26 residues pruned to eliminate duplicates Z: 15 19.305 1.812 0.519 0.848 1.000 0.786 CB 1.390 15 residues pruned to eliminate duplicates Z: 30 16.510 1.756 0.565 0.836 0.828 0.621 CB 1.009 30 residues pruned to eliminate duplicates Z: 24 26.845 1.914 0.673 0.898 0.913 0.739 CB 1.370 24 residues pruned to eliminate duplicates Z: 10 16.695 1.655 0.735 0.824 1.000 0.778 CB 1.463 10 residues pruned to eliminate duplicates Z: 20 38.399 2.054 0.955 0.920 1.000 0.737 CB 1.546 21 residues pruned to eliminate duplicates Z: 11 9.569 1.794 0.469 0.849 0.800 0.700 CB 1.064 11 residues pruned to eliminate duplicates Z: 12 20.624 1.945 0.932 0.907 1.000 0.727 CB 1.176 12 residues pruned to eliminate duplicates Z: 17 26.266 2.013 0.751 0.926 1.000 0.688 CB 1.306 17 residues pruned to eliminate duplicates Z: 13 18.760 1.912 0.678 0.886 0.917 0.917 CB 1.328 13 residues pruned to eliminate duplicates Z: 29 26.225 1.931 0.557 0.845 0.964 0.714 CB 1.271 29 residues pruned to eliminate duplicates Z: 27 33.918 1.856 0.879 0.908 1.000 0.692 CB 1.354 25 residues pruned to eliminate duplicates Z: 6 2.021 1.179 0.467 0.591 0.600 0.600 N 0.798 Z: 13 12.907 1.838 0.766 0.773 0.833 0.750 CB 1.083 13 residues pruned to eliminate duplicates Z: 8 7.739 1.504 0.334 0.762 1.000 0.714 CB 1.155 8 residues pruned to eliminate duplicates Z: 10 10.236 1.846 0.520 0.877 0.889 0.778 CB 0.994 10 residues pruned to eliminate duplicates Z: 27 34.244 1.930 0.693 0.929 1.000 0.731 CA 1.439 27 residues pruned to eliminate duplicates Z: 25 45.767 2.017 1.429 0.935 0.958 0.500 CB 1.386 25 residues pruned to eliminate duplicates Z: 9 12.988 1.757 0.485 0.885 1.000 0.875 CB 1.271 8 residues pruned to eliminate duplicates Z: 16 21.422 1.970 0.765 0.850 1.000 0.867 CB 1.179 16 residues pruned to eliminate duplicates Z: 30 22.821 1.733 0.632 0.869 1.000 0.655 CB 1.095 29 residues pruned to eliminate duplicates Z: 26 36.542 1.849 1.035 0.928 1.000 0.680 CB 1.360 27 residues pruned to eliminate duplicates Z: 28 35.446 2.031 0.620 0.922 1.000 0.815 CB 1.458 28 residues pruned to eliminate duplicates Z: 25 44.505 2.148 1.002 0.937 0.958 0.792 CB 1.534 25 residues pruned to eliminate duplicates Z: 10 14.225 1.901 0.651 0.881 1.000 0.667 CB 1.094 10 residues pruned to eliminate duplicates Z: 7 9.852 1.907 0.840 0.854 0.833 0.667 CB 1.016 7 residues pruned to eliminate duplicates Z: 22 17.003 1.653 0.547 0.879 0.905 0.714 CB 1.163 22 residues pruned to eliminate duplicates Z: 12 20.668 1.969 0.736 0.894 1.000 0.818 CB 1.307 12 residues pruned to eliminate duplicates Z: 34 43.307 1.977 0.940 0.866 1.000 0.697 CB 1.439 34 residues pruned to eliminate duplicates Z: 26 37.262 2.132 0.638 0.859 1.000 0.920 CB 1.571 26 residues pruned to eliminate duplicates Z: 9 12.515 1.883 0.499 0.654 1.000 0.375 CB 1.358 9 residues pruned to eliminate duplicates Z: 12 16.254 1.673 0.961 0.817 0.909 0.455 CB 1.248 12 residues pruned to eliminate duplicates Z: 12 5.814 1.598 0.345 0.471 1.000 0.455 CB 0.841 12 residues pruned to eliminate duplicates Z: 10 12.334 1.873 0.510 0.885 1.000 0.889 CB 1.049 10 residues pruned to eliminate duplicates Z: 29 19.289 1.745 0.485 0.847 0.929 0.679 CB 1.125 29 residues pruned to eliminate duplicates Z: 29 21.056 1.794 0.706 0.857 0.964 0.643 CB 0.994 29 residues pruned to eliminate duplicates Z: 12 21.979 1.985 0.964 0.883 1.000 0.727 CB 1.230 12 residues pruned to eliminate duplicates Z: 23 13.838 1.615 0.361 0.854 0.909 0.636 CB 1.091 23 residues pruned to eliminate duplicates Z: 6 3.924 1.455 0.872 0.422 0.600 0.400 N 1.164 Z: 12 12.412 1.692 0.675 0.828 0.909 0.818 CB 1.094 12 residues pruned to eliminate duplicates Z: 7 5.821 1.355 1.021 0.623 0.667 0.333 N 1.159 Z: 81 42.400 1.845 0.758 0.736 0.950 0.613 CB 1.245 106 residues pruned to eliminate duplicates Z: 7 7.931 1.483 0.367 0.838 1.000 0.833 CB 1.193 7 residues pruned to eliminate duplicates Z: 38 26.229 1.862 0.555 0.770 0.919 0.838 CB 1.277 38 residues pruned to eliminate duplicates Z: 21 10.791 1.747 0.355 0.546 0.750 0.500 CB 1.299 21 residues pruned to eliminate duplicates Z: 29 17.201 1.760 0.567 0.875 0.821 0.607 CB 1.043 29 residues pruned to eliminate duplicates Z: 13 18.079 1.956 0.205 0.932 1.000 1.000 CB 1.546 13 residues pruned to eliminate duplicates Z: 30 25.927 1.844 0.637 0.848 0.966 0.690 CB 1.226 30 residues pruned to eliminate duplicates Z: 30 34.257 1.803 0.962 0.866 1.000 0.586 CB 1.316 27 residues pruned to eliminate duplicates Z: 23 31.319 2.146 0.767 0.901 0.955 0.909 CB 1.316 23 residues pruned to eliminate duplicates Z: 8 7.539 1.777 0.450 0.838 0.857 0.714 CB 0.964 8 residues pruned to eliminate duplicates Z: 7 9.214 1.676 0.462 0.817 1.000 0.667 N 1.165 8 residues pruned to eliminate duplicates Z: 6 3.219 1.502 0.101 0.392 0.800 0.400 C 1.219 Z: 29 32.153 1.858 0.941 0.868 0.964 0.536 CB 1.277 29 residues pruned to eliminate duplicates Z: 17 12.057 1.616 0.581 0.838 0.875 0.562 CB 1.008 17 residues pruned to eliminate duplicates Z: 9 4.162 1.558 0.321 0.263 0.875 0.625 CB 1.071 Z: 13 14.415 1.754 0.455 0.748 1.000 0.750 CA 1.306 13 residues pruned to eliminate duplicates Z: 29 35.438 1.996 0.584 0.907 1.000 0.893 CA 1.506 29 residues pruned to eliminate duplicates Z: 10 2.418 1.312 0.185 0.259 1.000 0.444 CB 0.683 Z: 6 4.102 1.335 0.520 0.679 0.800 0.800 O 0.958 Z: 6 9.557 1.523 0.914 0.867 1.000 1.000 CB 1.072 Z: 30 36.060 1.957 0.790 0.910 1.000 0.862 CB 1.356 30 residues pruned to eliminate duplicates Z: 14 16.113 1.700 0.488 0.805 1.000 0.769 CB 1.354 14 residues pruned to eliminate duplicates Z: 13 12.167 1.886 0.618 0.555 0.917 0.417 CB 1.190 13 residues pruned to eliminate duplicates Z: 58 42.398 1.905 0.814 0.790 0.947 0.737 CB 1.330 58 residues pruned to eliminate duplicates Z: 8 6.988 1.677 0.286 0.572 0.857 0.286 CB 1.333 Z: 10 4.597 1.309 0.864 0.308 0.778 0.333 N 0.999 Z: 8 19.193 1.853 0.845 0.902 1.000 1.000 CA 1.514 5 residues pruned to eliminate duplicates Z: 26 25.996 1.898 0.614 0.869 0.960 0.760 CB 1.291 26 residues pruned to eliminate duplicates Z: 24 23.826 1.790 0.811 0.887 0.957 0.783 CB 1.155 24 residues pruned to eliminate duplicates Z: 32 34.383 1.922 1.009 0.895 0.935 0.677 CB 1.226 32 residues pruned to eliminate duplicates Z: 25 27.076 1.891 0.676 0.858 0.958 0.875 CB 1.340 25 residues pruned to eliminate duplicates Z: 9 12.474 1.984 0.988 0.876 0.875 0.375 CB 0.929 9 residues pruned to eliminate duplicates Z: 32 26.766 1.854 0.485 0.806 0.935 0.677 CB 1.429 32 residues pruned to eliminate duplicates Z: 6 2.186 1.399 0.534 0.285 0.600 0.400 CB 0.967 Z: 8 2.476 1.589 0.207 0.368 0.857 0.571 CB 0.656 Z: 24 17.867 1.690 0.513 0.845 0.957 0.609 CB 1.132 24 residues pruned to eliminate duplicates Z: 30 31.881 1.923 0.820 0.886 0.931 0.759 CB 1.311 30 residues pruned to eliminate duplicates Z: 21 26.317 1.972 0.463 0.946 1.000 1.000 CA 1.411 21 residues pruned to eliminate duplicates Z: 12 14.186 1.731 0.704 0.824 0.818 0.545 CB 1.340 12 residues pruned to eliminate duplicates Z: 21 17.011 1.706 0.630 0.889 0.900 0.550 CB 1.094 21 residues pruned to eliminate duplicates Z: 10 17.865 1.643 1.005 0.892 1.000 0.889 CB 1.299 9 residues pruned to eliminate duplicates Z: 30 18.435 1.716 0.374 0.858 0.897 0.655 CB 1.193 30 residues pruned to eliminate duplicates Z: 7 2.592 1.216 0.148 0.251 1.000 0.500 C 1.010 Z: 17 31.163 1.985 0.870 0.917 1.000 0.688 CB 1.481 17 residues pruned to eliminate duplicates Z: 27 20.691 1.929 0.620 0.728 0.846 0.692 CB 1.250 27 residues pruned to eliminate duplicates Z: 15 29.742 1.980 0.959 0.870 1.000 0.500 CB 1.496 15 residues pruned to eliminate duplicates Z: 30 19.894 1.713 0.677 0.875 0.966 0.655 CB 0.969 30 residues pruned to eliminate duplicates Z: 7 9.679 1.640 0.523 0.831 1.000 0.833 CB 1.189 7 residues pruned to eliminate duplicates Z: 17 23.655 2.010 0.352 0.879 1.000 1.000 CB 1.578 17 residues pruned to eliminate duplicates Z: 9 5.187 1.438 0.396 0.855 1.000 0.750 CB 0.674 Z: 28 33.021 2.006 0.569 0.892 1.000 0.926 CA 1.451 27 residues pruned to eliminate duplicates Z: 24 32.923 2.099 0.675 0.910 1.000 0.652 CB 1.385 24 residues pruned to eliminate duplicates Z: 12 12.485 2.016 0.656 0.857 0.909 0.455 CB 0.914 12 residues pruned to eliminate duplicates Z: 10 4.409 1.411 0.686 0.342 0.778 0.333 CB 0.943 6 1.293 1.012 0.449 0.300 0.800 0.800 CB 0.616 ? Z: 35 24.811 1.818 0.405 0.783 0.941 0.794 CB 1.380 35 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 37 23.613 1.787 0.655 0.642 0.917 0.667 CB 1.271 35 residues pruned to eliminate duplicates Z: 10 11.562 1.745 0.243 0.836 1.000 0.889 CA 1.330 11 residues pruned to eliminate duplicates Z: 10 11.097 1.773 0.155 0.836 1.000 0.889 CB 1.352 10 residues pruned to eliminate duplicates Z: 42 25.610 1.958 0.536 0.667 0.902 0.707 CB 1.263 42 residues pruned to eliminate duplicates Z: 9 11.256 1.808 0.529 0.861 1.000 0.875 CB 1.058 9 residues pruned to eliminate duplicates Z: 37 22.513 1.830 0.681 0.638 0.889 0.694 CB 1.206 37 residues pruned to eliminate duplicates Z: 24 15.627 1.900 0.419 0.578 0.957 0.783 CB 1.172 22 residues pruned to eliminate duplicates Z: 9 16.188 2.199 0.359 0.913 1.000 1.000 CB 1.356 11 residues pruned to eliminate duplicates Z: 9 15.513 2.124 0.468 0.897 1.000 1.000 CB 1.260 9 residues pruned to eliminate duplicates Z: 45 23.526 1.903 0.478 0.654 0.909 0.705 CB 1.202 45 residues pruned to eliminate duplicates Z: 18 9.642 1.870 0.401 0.512 0.882 0.588 CB 1.000 18 residues pruned to eliminate duplicates Z: 42 24.271 1.957 0.427 0.673 0.878 0.707 CB 1.318 42 residues pruned to eliminate duplicates Z: 11 11.656 2.089 0.425 0.725 0.900 0.700 CB 1.124 11 residues pruned to eliminate duplicates Z: 11 9.697 2.020 0.326 0.734 0.800 0.800 CB 1.160 11 residues pruned to eliminate duplicates Z: 25 28.912 1.924 0.595 0.869 1.000 0.875 CB 1.406 25 residues pruned to eliminate duplicates Z: 9 8.322 1.556 0.367 0.760 1.000 0.500 CB 1.098 9 residues pruned to eliminate duplicates Z: 26 27.086 1.925 0.586 0.850 0.920 0.760 CB 1.429 26 residues pruned to eliminate duplicates Z: 26 26.998 1.892 0.671 0.875 0.960 0.720 CB 1.294 26 residues pruned to eliminate duplicates Z: 53 47.751 2.008 0.790 0.834 0.981 0.750 CB 1.408 50 residues pruned to eliminate duplicates Z: 24 30.578 1.915 0.770 0.887 1.000 0.739 CB 1.356 24 residues pruned to eliminate duplicates Z: 25 28.970 1.933 0.631 0.884 0.958 0.792 CB 1.415 25 residues pruned to eliminate duplicates Z: 24 33.103 1.921 0.675 0.902 1.000 0.783 CB 1.530 24 residues pruned to eliminate duplicates Z: 22 25.553 1.970 0.673 0.818 0.952 0.667 CB 1.347 22 residues pruned to eliminate duplicates Z: 24 25.743 1.928 0.680 0.867 1.000 0.696 CB 1.212 24 residues pruned to eliminate duplicates Z: 20 31.165 1.987 0.836 0.870 1.000 0.842 CB 1.430 20 residues pruned to eliminate duplicates Z: 18 20.555 1.902 0.727 0.736 0.824 0.647 CB 1.491 18 residues pruned to eliminate duplicates Z: 26 31.354 1.934 0.719 0.909 1.000 0.680 CB 1.339 26 residues pruned to eliminate duplicates Z: 16 30.233 1.942 0.872 0.876 1.000 0.667 CA 1.560 16 residues pruned to eliminate duplicates Z: 21 24.211 1.979 0.624 0.838 0.950 0.800 CB 1.325 21 residues pruned to eliminate duplicates Z: 19 33.640 2.052 0.836 0.938 1.000 0.556 CB 1.464 19 residues pruned to eliminate duplicates Z: 25 30.809 1.918 0.748 0.866 1.000 0.542 CB 1.374 25 residues pruned to eliminate duplicates Z: 20 26.714 1.928 0.746 0.873 1.000 0.526 CB 1.325 20 residues pruned to eliminate duplicates Z: 25 32.465 1.939 0.778 0.880 1.000 0.667 CB 1.392 25 residues pruned to eliminate duplicates Z: 20 29.784 1.907 0.947 0.872 1.000 0.579 CB 1.341 20 residues pruned to eliminate duplicates Z: 23 27.251 1.891 0.825 0.800 0.955 0.591 CB 1.357 23 residues pruned to eliminate duplicates Z: 11 17.261 1.901 0.970 0.797 1.000 0.800 CB 1.123 11 residues pruned to eliminate duplicates Z: 26 34.642 1.911 0.930 0.910 1.000 0.600 CB 1.332 26 residues pruned to eliminate duplicates Z: 25 33.007 1.934 0.872 0.896 1.000 0.625 CB 1.333 25 residues pruned to eliminate duplicates Z: 20 30.962 1.967 0.999 0.937 0.947 0.684 CB 1.326 20 residues pruned to eliminate duplicates Z: 25 25.150 2.076 0.501 0.838 0.958 0.833 CB 1.285 25 residues pruned to eliminate duplicates Z: 78 41.600 1.968 0.636 0.785 0.935 0.766 CB 1.226 73 residues pruned to eliminate duplicates Z: 25 25.516 2.080 0.541 0.871 0.917 0.792 CB 1.293 25 residues pruned to eliminate duplicates Z: 52 27.576 1.898 0.531 0.760 0.922 0.706 CB 1.144 52 residues pruned to eliminate duplicates Z: 47 28.185 1.913 0.542 0.748 0.935 0.739 CB 1.207 47 residues pruned to eliminate duplicates Z: 117 54.855 1.938 0.669 0.796 0.948 0.724 CB 1.282 117 residues pruned to eliminate duplicates Z: 26 31.721 2.105 0.599 0.885 1.000 0.840 CB 1.361 26 residues pruned to eliminate duplicates Z: 30 27.330 2.054 0.540 0.754 0.931 0.724 CB 1.374 30 residues pruned to eliminate duplicates Z: 52 26.749 1.896 0.514 0.730 0.882 0.765 CB 1.202 52 residues pruned to eliminate duplicates Z: 87 35.336 1.858 0.724 0.669 0.884 0.616 CB 1.152 87 residues pruned to eliminate duplicates Z: 33 24.033 1.994 0.654 0.719 0.938 0.625 CB 1.128 33 residues pruned to eliminate duplicates Z: 28 26.703 2.085 0.671 0.761 0.926 0.593 CB 1.264 28 residues pruned to eliminate duplicates Z: 30 24.527 2.010 0.711 0.777 0.931 0.655 CB 1.114 30 residues pruned to eliminate duplicates Z: 27 29.167 2.041 0.755 0.793 0.962 0.692 CB 1.285 27 residues pruned to eliminate duplicates Z: 34 24.941 1.972 0.634 0.688 0.939 0.515 CB 1.207 34 residues pruned to eliminate duplicates Z: 28 27.951 2.032 0.832 0.795 0.926 0.519 CB 1.205 28 residues pruned to eliminate duplicates Z: 35 21.711 1.965 0.790 0.661 0.853 0.471 CB 1.069 35 residues pruned to eliminate duplicates Z: 26 33.350 2.121 0.778 0.831 1.000 0.600 CB 1.329 26 residues pruned to eliminate duplicates Z: 50 28.937 1.921 0.639 0.730 0.898 0.694 CB 1.189 50 residues pruned to eliminate duplicates Z: 28 29.844 2.024 0.874 0.786 0.963 0.556 CB 1.222 28 residues pruned to eliminate duplicates Z: 82 43.165 1.890 0.698 0.726 0.926 0.691 CB 1.317 82 residues pruned to eliminate duplicates Z: 25 41.955 2.144 0.777 0.896 1.000 0.833 CB 1.610 25 residues pruned to eliminate duplicates Z: 29 33.637 2.061 0.768 0.809 0.929 0.821 CB 1.435 29 residues pruned to eliminate duplicates Z: 25 47.029 2.183 0.904 0.899 1.000 0.875 CB 1.650 25 residues pruned to eliminate duplicates Z: 25 39.205 2.118 0.730 0.919 0.958 0.750 CB 1.607 25 residues pruned to eliminate duplicates Z: 27 39.996 2.096 0.777 0.832 0.962 0.923 CB 1.644 27 residues pruned to eliminate duplicates Z: 26 36.335 2.133 0.594 0.846 0.960 0.920 CB 1.654 26 residues pruned to eliminate duplicates Z: 32 30.022 2.002 0.715 0.735 0.871 0.710 CB 1.460 27 residues pruned to eliminate duplicates Z: 24 41.039 2.158 0.715 0.903 1.000 0.826 CB 1.649 30 residues pruned to eliminate duplicates Z: 24 45.629 2.190 0.921 0.927 1.000 0.783 CB 1.585 24 residues pruned to eliminate duplicates Z: 24 45.339 2.152 1.146 0.930 1.000 0.652 CB 1.431 24 residues pruned to eliminate duplicates Z: 27 43.500 2.105 0.921 0.830 0.962 0.731 CB 1.649 27 residues pruned to eliminate duplicates Z: 27 41.897 2.132 0.926 0.817 0.962 0.808 CB 1.580 27 residues pruned to eliminate duplicates Z: 26 42.086 2.164 0.907 0.846 0.960 0.760 CB 1.579 26 residues pruned to eliminate duplicates Z: 30 35.816 2.044 0.957 0.777 0.897 0.690 CB 1.452 30 residues pruned to eliminate duplicates Z: 57 33.932 1.865 0.675 0.782 0.911 0.714 CB 1.243 52 residues pruned to eliminate duplicates Z: 25 45.704 2.168 1.057 0.911 0.958 0.708 CB 1.547 25 residues pruned to eliminate duplicates Z: 28 35.811 2.088 0.850 0.765 0.926 0.630 CB 1.524 28 residues pruned to eliminate duplicates Z: 27 41.416 2.121 0.890 0.844 0.962 0.769 CB 1.568 27 residues pruned to eliminate duplicates Z: 30 36.057 2.057 0.914 0.762 0.897 0.690 CB 1.503 30 residues pruned to eliminate duplicates Z: 25 47.100 2.171 0.987 0.876 1.000 0.833 CB 1.620 25 residues pruned to eliminate duplicates Z: 26 47.156 2.156 0.876 0.873 1.000 0.800 CB 1.699 26 residues pruned to eliminate duplicates Z: 26 48.397 2.168 1.032 0.855 0.960 0.840 CB 1.689 26 residues pruned to eliminate duplicates Z: 6 11.519 1.827 0.498 0.818 1.000 0.800 CA 1.428 6 residues pruned to eliminate duplicates Z: 14 6.433 1.557 0.337 0.457 0.769 0.462 CB 1.165 14 residues pruned to eliminate duplicates Z: 7 9.409 1.698 0.461 0.776 1.000 0.500 CB 1.214 7 residues pruned to eliminate duplicates Z: 6 10.585 1.736 0.604 0.822 1.000 1.000 CB 1.286 6 residues pruned to eliminate duplicates Z: 7 8.423 1.688 0.619 0.820 1.000 0.667 CB 0.952 7 residues pruned to eliminate duplicates Z: 18 18.455 1.922 0.534 0.754 0.882 0.647 CB 1.372 18 residues pruned to eliminate duplicates Z: 35 21.368 1.857 0.533 0.669 0.912 0.559 CB 1.208 35 residues pruned to eliminate duplicates Z: 32 22.557 1.887 0.487 0.768 0.871 0.645 CB 1.308 32 residues pruned to eliminate duplicates Z: 62 41.375 1.886 0.675 0.772 0.967 0.705 CB 1.363 61 residues pruned to eliminate duplicates Z: 21 24.035 1.896 0.432 0.883 1.000 0.800 CB 1.432 21 residues pruned to eliminate duplicates Z: 44 21.179 1.776 0.594 0.639 0.837 0.628 CB 1.196 44 residues pruned to eliminate duplicates Z: 30 27.811 1.943 0.549 0.791 0.966 0.690 CB 1.376 30 residues pruned to eliminate duplicates Z: 35 21.805 1.897 0.556 0.703 0.882 0.706 CB 1.194 35 residues pruned to eliminate duplicates Z: 30 25.249 1.931 0.584 0.775 0.966 0.828 CB 1.245 30 residues pruned to eliminate duplicates Z: 28 21.145 1.893 0.497 0.761 0.889 0.630 CB 1.282 28 residues pruned to eliminate duplicates Z: 30 27.709 1.942 0.522 0.800 0.966 0.724 CB 1.387 30 residues pruned to eliminate duplicates Z: 31 24.990 1.893 0.676 0.746 0.900 0.633 CB 1.283 31 residues pruned to eliminate duplicates Z: 59 36.691 1.872 0.750 0.753 0.914 0.500 CB 1.285 59 residues pruned to eliminate duplicates Z: 30 28.616 1.952 0.599 0.803 0.966 0.724 CB 1.353 30 residues pruned to eliminate duplicates Z: 30 27.576 1.920 0.736 0.806 0.931 0.759 CB 1.264 30 residues pruned to eliminate duplicates Z: 29 29.962 1.940 0.721 0.819 0.964 0.750 CB 1.333 29 residues pruned to eliminate duplicates Z: 44 23.476 1.767 0.622 0.650 0.907 0.558 CB 1.198 44 residues pruned to eliminate duplicates Z: 33 26.185 1.922 0.549 0.753 0.938 0.750 CB 1.323 33 residues pruned to eliminate duplicates Z: 30 28.963 1.947 0.629 0.814 0.966 0.862 CB 1.337 30 residues pruned to eliminate duplicates Z: 30 29.138 1.948 0.677 0.828 0.931 0.759 CB 1.339 30 residues pruned to eliminate duplicates Z: 30 26.954 1.875 0.652 0.769 0.966 0.793 CB 1.319 30 residues pruned to eliminate duplicates Z: 31 27.098 1.907 0.599 0.765 0.967 0.833 CB 1.327 31 residues pruned to eliminate duplicates Z: 14 12.799 1.876 0.324 0.719 0.923 0.769 CB 1.270 14 residues pruned to eliminate duplicates Z: 31 26.827 1.910 0.560 0.805 0.967 0.700 CB 1.303 31 residues pruned to eliminate duplicates Z: 31 28.183 1.921 0.703 0.775 0.933 0.733 CB 1.323 31 residues pruned to eliminate duplicates Z: 31 31.857 1.941 0.802 0.775 0.967 0.900 CB 1.349 31 residues pruned to eliminate duplicates Z: 33 29.981 1.911 0.737 0.748 0.969 0.688 CB 1.321 33 residues pruned to eliminate duplicates Z: 36 28.723 1.843 0.566 0.741 0.971 0.686 CB 1.396 36 residues pruned to eliminate duplicates Z: 25 39.847 2.119 0.800 0.898 1.000 0.875 CB 1.525 25 residues pruned to eliminate duplicates Z: 28 31.111 1.994 0.781 0.831 0.963 0.889 CB 1.316 28 residues pruned to eliminate duplicates Z: 24 37.552 2.129 0.695 0.896 1.000 0.870 CB 1.554 24 residues pruned to eliminate duplicates Z: 26 33.337 2.097 0.623 0.902 0.960 0.960 CB 1.455 26 residues pruned to eliminate duplicates Z: 24 35.693 2.133 0.570 0.891 1.000 0.870 CB 1.597 24 residues pruned to eliminate duplicates Z: 25 38.780 2.117 0.706 0.922 1.000 1.000 CA 1.541 25 residues pruned to eliminate duplicates Z: 25 38.812 2.124 0.664 0.909 1.000 0.958 CB 1.592 25 residues pruned to eliminate duplicates Z: 25 38.256 2.105 0.728 0.903 1.000 0.875 CB 1.531 25 residues pruned to eliminate duplicates Z: 25 36.362 2.138 0.540 0.930 1.000 1.000 CB 1.576 25 residues pruned to eliminate duplicates Z: 25 38.013 2.109 0.750 0.901 1.000 0.875 CB 1.501 25 residues pruned to eliminate duplicates Z: 25 36.233 2.121 0.581 0.924 1.000 0.958 CB 1.549 25 residues pruned to eliminate duplicates Z: 29 35.189 1.958 0.814 0.813 1.000 0.786 CB 1.427 29 residues pruned to eliminate duplicates Z: 24 35.929 2.111 0.831 0.897 1.000 0.696 CB 1.387 24 residues pruned to eliminate duplicates Z: 25 36.456 2.105 0.918 0.885 1.000 0.792 CB 1.330 25 residues pruned to eliminate duplicates Z: 27 36.744 2.080 0.860 0.845 0.962 0.769 CB 1.441 27 residues pruned to eliminate duplicates Z: 25 41.803 2.127 0.958 0.895 1.000 0.875 CB 1.469 25 residues pruned to eliminate duplicates Z: 25 41.946 2.117 0.936 0.910 1.000 0.750 CB 1.481 25 residues pruned to eliminate duplicates Z: 25 40.705 2.107 0.912 0.917 1.000 0.875 CB 1.455 25 residues pruned to eliminate duplicates Z: 28 39.423 2.094 0.756 0.890 1.000 0.852 CB 1.485 28 residues pruned to eliminate duplicates Z: 29 39.252 2.055 0.998 0.857 1.000 0.750 CB 1.332 28 residues pruned to eliminate duplicates Z: 27 44.852 2.088 1.063 0.936 1.000 0.846 CB 1.423 28 residues pruned to eliminate duplicates Z: 27 38.432 2.064 0.949 0.902 1.000 0.808 CB 1.336 27 residues pruned to eliminate duplicates Z: 26 37.923 2.057 1.020 0.869 1.000 0.800 CB 1.332 26 residues pruned to eliminate duplicates Z: 28 37.520 2.060 0.934 0.874 0.963 0.630 CB 1.370 28 residues pruned to eliminate duplicates Z: 27 40.899 2.086 1.079 0.873 1.000 0.769 CB 1.347 27 residues pruned to eliminate duplicates Z: 24 19.222 1.876 0.514 0.667 0.870 0.652 CB 1.390 24 residues pruned to eliminate duplicates Z: 17 23.075 2.051 0.480 0.793 1.000 0.750 CB 1.470 17 residues pruned to eliminate duplicates Z: 18 29.022 2.059 0.791 0.825 1.000 0.765 CB 1.440 18 residues pruned to eliminate duplicates Z: 16 26.378 2.148 0.470 0.866 1.000 0.867 CB 1.579 16 residues pruned to eliminate duplicates Z: 17 29.358 2.092 0.756 0.840 1.000 0.625 CB 1.491 17 residues pruned to eliminate duplicates Z: 16 32.122 2.179 0.859 0.878 1.000 0.933 CB 1.486 16 residues pruned to eliminate duplicates Z: 18 25.206 2.055 0.605 0.823 1.000 0.824 CB 1.400 18 residues pruned to eliminate duplicates Z: 16 32.810 2.167 1.010 0.877 1.000 0.733 CB 1.413 16 residues pruned to eliminate duplicates Z: 20 22.963 2.008 0.748 0.756 0.895 0.632 CB 1.335 20 residues pruned to eliminate duplicates Z: 16 33.638 2.154 1.022 0.884 1.000 0.933 CB 1.441 16 residues pruned to eliminate duplicates Z: 16 33.419 2.149 1.079 0.872 1.000 0.800 CB 1.407 16 residues pruned to eliminate duplicates Z: 18 29.632 2.061 0.947 0.821 0.941 0.765 CB 1.441 18 residues pruned to eliminate duplicates Z: 18 31.931 2.058 0.973 0.814 1.000 0.882 CB 1.451 18 residues pruned to eliminate duplicates Z: 16 32.572 2.150 1.023 0.868 1.000 0.733 CB 1.414 16 residues pruned to eliminate duplicates Z: 16 35.374 2.173 1.101 0.881 1.000 0.733 CB 1.449 16 residues pruned to eliminate duplicates Z: 9 5.665 1.538 0.368 0.826 0.875 0.625 CB 0.820 9 residues pruned to eliminate duplicates Z: 14 6.506 1.310 0.619 0.607 0.846 0.385 CB 0.908 10 residues pruned to eliminate duplicates Z: 25 16.188 1.647 0.449 0.849 0.958 0.667 CB 1.071 25 residues pruned to eliminate duplicates Z: 14 8.960 1.554 0.617 0.730 0.846 0.615 CB 0.950 14 residues pruned to eliminate duplicates Z: 16 8.402 1.549 0.612 0.578 0.867 0.600 CB 0.930 16 residues pruned to eliminate duplicates Z: 10 3.213 1.469 0.505 0.308 0.778 0.333 CB 0.772 10 residues pruned to eliminate duplicates Z: 26 13.630 1.655 0.480 0.629 0.920 0.560 CB 1.071 26 residues pruned to eliminate duplicates Z: 24 15.357 1.722 0.491 0.672 0.913 0.652 CB 1.165 24 residues pruned to eliminate duplicates Z: 16 6.830 1.571 0.262 0.559 0.867 0.400 CB 0.970 16 residues pruned to eliminate duplicates Z: 20 15.558 1.753 0.481 0.768 0.895 0.737 CB 1.212 20 residues pruned to eliminate duplicates Z: 23 15.152 1.689 0.517 0.673 0.955 0.682 CB 1.126 23 residues pruned to eliminate duplicates Z: 22 18.633 1.748 0.543 0.762 1.000 0.571 CB 1.195 22 residues pruned to eliminate duplicates Z: 26 14.873 1.679 0.548 0.678 0.920 0.480 CB 1.056 26 residues pruned to eliminate duplicates Z: 25 16.966 1.698 0.513 0.643 1.000 0.708 CB 1.180 25 residues pruned to eliminate duplicates Z: 24 17.969 1.715 0.633 0.699 1.000 0.609 CB 1.115 24 residues pruned to eliminate duplicates Z: 22 18.679 1.754 0.614 0.734 1.000 0.714 CB 1.167 22 residues pruned to eliminate duplicates Z: 22 17.599 1.734 0.532 0.731 0.952 0.619 CB 1.233 22 residues pruned to eliminate duplicates Z: 26 16.023 1.646 0.753 0.640 0.960 0.680 CB 1.015 26 residues pruned to eliminate duplicates Z: 20 15.869 1.741 0.545 0.728 0.947 0.737 CB 1.163 20 residues pruned to eliminate duplicates Z: 27 15.496 1.673 0.677 0.581 0.923 0.577 CB 1.086 27 residues pruned to eliminate duplicates Z: 22 17.981 1.731 0.660 0.716 0.952 0.714 CB 1.179 22 residues pruned to eliminate duplicates Z: 24 15.665 1.687 0.519 0.709 0.913 0.609 CB 1.155 24 residues pruned to eliminate duplicates Z: 21 22.717 1.951 0.543 0.727 0.900 0.800 CB 1.528 21 residues pruned to eliminate duplicates Z: 19 31.241 2.082 0.769 0.776 1.000 0.722 CB 1.567 19 residues pruned to eliminate duplicates Z: 20 25.948 2.020 0.719 0.775 0.947 0.789 CB 1.419 20 residues pruned to eliminate duplicates Z: 19 31.576 2.089 0.766 0.813 1.000 0.944 CB 1.536 19 residues pruned to eliminate duplicates Z: 20 28.960 2.004 0.703 0.785 1.000 0.737 CB 1.515 20 residues pruned to eliminate duplicates Z: 19 30.791 2.079 0.846 0.776 1.000 0.667 CB 1.482 19 residues pruned to eliminate duplicates Z: 19 26.024 2.041 0.806 0.789 0.944 0.611 CB 1.366 19 residues pruned to eliminate duplicates Z: 20 28.496 1.969 0.870 0.760 1.000 0.684 CB 1.409 20 residues pruned to eliminate duplicates Z: 15 27.619 2.145 0.643 0.856 1.000 0.857 CB 1.545 14 residues pruned to eliminate duplicates Z: 18 28.069 2.060 0.798 0.903 0.941 0.706 CB 1.391 18 residues pruned to eliminate duplicates Z: 18 31.576 2.096 0.876 0.821 1.000 0.765 CB 1.474 18 residues pruned to eliminate duplicates Z: 20 26.935 2.020 0.790 0.776 0.947 0.789 CB 1.413 20 residues pruned to eliminate duplicates Z: 18 32.729 2.095 0.951 0.865 1.000 0.706 CB 1.423 18 residues pruned to eliminate duplicates Z: 16 32.432 2.180 0.927 0.918 1.000 0.733 CB 1.406 16 residues pruned to eliminate duplicates Z: 17 20.068 1.901 0.381 0.846 0.938 0.750 CB 1.514 16 residues pruned to eliminate duplicates Z: 23 26.532 1.818 0.797 0.880 0.955 0.773 CA 1.314 23 residues pruned to eliminate duplicates Z: 15 27.922 1.948 0.837 0.869 1.000 0.643 CB 1.524 15 residues pruned to eliminate duplicates Z: 25 23.762 1.794 0.726 0.690 0.917 0.750 CA 1.436 24 residues pruned to eliminate duplicates Z: 16 27.618 1.970 0.710 0.880 1.000 0.867 CB 1.534 16 residues pruned to eliminate duplicates Z: 21 15.312 1.802 0.616 0.567 0.800 0.700 CB 1.378 21 residues pruned to eliminate duplicates Z: 36 23.224 1.809 0.539 0.663 0.971 0.629 CB 1.249 36 residues pruned to eliminate duplicates Z: 25 24.052 1.892 0.705 0.679 0.917 0.792 CB 1.408 25 residues pruned to eliminate duplicates Z: 26 20.289 1.848 0.625 0.669 0.840 0.800 CB 1.376 26 residues pruned to eliminate duplicates Z: 35 30.189 1.873 0.622 0.798 0.941 0.735 CB 1.395 35 residues pruned to eliminate duplicates Z: 19 20.527 1.833 0.925 0.704 0.833 0.556 CB 1.366 19 residues pruned to eliminate duplicates Z: 24 25.633 1.882 0.851 0.709 0.957 0.609 CB 1.327 24 residues pruned to eliminate duplicates Z: 21 19.825 1.838 0.780 0.666 0.900 0.500 CB 1.291 21 residues pruned to eliminate duplicates Z: 62 42.943 1.959 0.587 0.804 0.918 0.738 CB 1.477 62 residues pruned to eliminate duplicates Z: 26 26.384 1.871 0.755 0.718 0.960 0.760 CB 1.375 26 residues pruned to eliminate duplicates Z: 40 34.739 1.942 0.618 0.793 0.923 0.744 CB 1.483 40 residues pruned to eliminate duplicates Z: 29 22.863 1.879 0.660 0.683 0.893 0.679 CB 1.311 29 residues pruned to eliminate duplicates Z: 15 17.256 1.798 0.830 0.725 0.929 0.857 CB 1.232 15 residues pruned to eliminate duplicates Z: 22 32.405 1.970 0.815 0.856 1.000 0.714 CA 1.459 22 residues pruned to eliminate duplicates Z: 28 17.517 1.846 0.542 0.650 0.778 0.630 CB 1.324 28 residues pruned to eliminate duplicates Z: 40 36.826 1.943 0.664 0.805 0.974 0.667 CB 1.434 40 residues pruned to eliminate duplicates Z: 32 21.056 1.806 0.702 0.650 0.871 0.645 CB 1.229 32 residues pruned to eliminate duplicates Z: 41 23.259 1.832 0.675 0.622 0.900 0.625 CB 1.187 41 residues pruned to eliminate duplicates Z: 49 42.065 1.940 0.912 0.801 0.958 0.625 CB 1.313 49 residues pruned to eliminate duplicates Z: 23 24.702 1.889 0.804 0.823 0.909 0.727 CB 1.286 23 residues pruned to eliminate duplicates Z: 59 38.217 1.911 0.676 0.706 0.931 0.672 CB 1.395 59 residues pruned to eliminate duplicates Z: 37 24.017 1.862 0.696 0.702 0.889 0.694 CB 1.187 37 residues pruned to eliminate duplicates Z: 56 42.118 1.958 0.620 0.808 0.945 0.673 CB 1.448 56 residues pruned to eliminate duplicates Z: 63 44.594 1.952 0.711 0.792 0.952 0.774 CB 1.379 63 residues pruned to eliminate duplicates Z: 59 45.376 1.929 0.735 0.797 0.983 0.759 CB 1.396 59 residues pruned to eliminate duplicates Z: 71 51.304 1.965 0.760 0.811 0.986 0.729 CB 1.372 71 residues pruned to eliminate duplicates Z: 67 40.734 1.950 0.626 0.758 0.924 0.697 CB 1.360 67 residues pruned to eliminate duplicates Z: 54 46.060 1.989 0.767 0.825 0.943 0.642 CB 1.441 54 residues pruned to eliminate duplicates Z: 56 27.945 1.836 0.608 0.680 0.855 0.655 CB 1.266 56 residues pruned to eliminate duplicates Z: 54 44.832 1.965 0.760 0.828 1.000 0.623 CB 1.341 54 residues pruned to eliminate duplicates Z: 44 39.529 1.949 0.725 0.835 0.953 0.744 CB 1.409 44 residues pruned to eliminate duplicates Z: 56 39.965 1.931 0.676 0.816 0.964 0.673 CB 1.314 56 residues pruned to eliminate duplicates Z: 81 45.720 1.912 0.695 0.737 0.950 0.675 CB 1.343 81 residues pruned to eliminate duplicates Z: 73 47.031 1.916 0.779 0.781 0.958 0.694 CB 1.324 73 residues pruned to eliminate duplicates Z: 50 40.359 1.930 0.711 0.786 0.918 0.612 CB 1.478 50 residues pruned to eliminate duplicates Z: 49 43.102 1.972 0.891 0.776 0.917 0.667 CB 1.426 49 residues pruned to eliminate duplicates Z: 27 28.435 1.964 0.702 0.693 0.923 0.423 CB 1.516 27 residues pruned to eliminate duplicates Z: 52 33.251 1.886 0.667 0.727 0.882 0.647 CB 1.368 52 residues pruned to eliminate duplicates Z: 54 46.185 1.983 0.828 0.804 0.906 0.717 CB 1.482 54 residues pruned to eliminate duplicates Z: 56 47.690 1.977 0.782 0.817 0.982 0.764 CB 1.411 56 residues pruned to eliminate duplicates Z: 36 33.071 1.924 0.795 0.754 0.914 0.600 CB 1.411 36 residues pruned to eliminate duplicates Z: 72 46.090 1.903 0.783 0.784 0.930 0.676 CB 1.351 72 residues pruned to eliminate duplicates Z: 62 56.081 1.986 0.999 0.823 0.967 0.590 CB 1.413 62 residues pruned to eliminate duplicates Z: 66 45.238 1.946 0.702 0.796 0.969 0.692 CB 1.350 66 residues pruned to eliminate duplicates Z: 28 19.444 1.867 0.548 0.749 0.889 0.593 CB 1.166 28 residues pruned to eliminate duplicates Z: 60 48.324 1.976 0.831 0.828 0.915 0.746 CB 1.430 60 residues pruned to eliminate duplicates Z: 56 44.908 1.967 0.873 0.820 0.909 0.691 CB 1.370 56 residues pruned to eliminate duplicates Z: 48 40.260 1.977 0.723 0.805 0.936 0.574 CB 1.411 48 residues pruned to eliminate duplicates Z: 57 42.505 1.957 0.803 0.815 0.893 0.643 CB 1.371 57 residues pruned to eliminate duplicates Z: 30 22.955 1.876 0.619 0.689 0.862 0.586 CB 1.368 30 residues pruned to eliminate duplicates Z: 28 27.470 1.883 0.697 0.753 0.926 0.593 CB 1.426 28 residues pruned to eliminate duplicates Z: 70 44.093 1.877 0.758 0.765 0.928 0.580 CB 1.372 70 residues pruned to eliminate duplicates Z: 14 17.346 1.864 0.477 0.795 1.000 0.538 CB 1.349 14 residues pruned to eliminate duplicates Z: 35 23.976 1.809 0.758 0.629 0.882 0.559 CB 1.298 35 residues pruned to eliminate duplicates Z: 30 26.425 1.879 0.771 0.754 0.966 0.655 CB 1.218 30 residues pruned to eliminate duplicates Z: 33 26.602 1.830 0.786 0.726 0.906 0.500 CB 1.295 33 residues pruned to eliminate duplicates Z: 33 24.283 1.842 0.833 0.673 0.844 0.656 CB 1.284 33 residues pruned to eliminate duplicates Z: 27 29.510 1.874 0.858 0.795 0.962 0.769 CB 1.335 27 residues pruned to eliminate duplicates Z: 57 50.420 1.969 0.930 0.829 0.946 0.661 CB 1.410 57 residues pruned to eliminate duplicates Z: 73 44.472 1.934 0.766 0.773 0.917 0.597 CB 1.315 73 residues pruned to eliminate duplicates Z: 38 24.937 1.839 0.669 0.668 0.865 0.541 CB 1.323 38 residues pruned to eliminate duplicates Z: 38 25.801 1.849 0.764 0.695 0.892 0.703 CB 1.220 38 residues pruned to eliminate duplicates Z: 59 36.346 1.856 0.836 0.718 0.914 0.638 CB 1.259 59 residues pruned to eliminate duplicates Z: 40 27.725 1.816 0.830 0.683 0.949 0.436 CB 1.190 40 residues pruned to eliminate duplicates Z: 6 7.657 1.545 0.795 0.659 1.000 0.600 CB 1.065 6 residues pruned to eliminate duplicates Z: 11 10.547 1.648 0.857 0.665 0.900 0.600 CB 1.039 11 residues pruned to eliminate duplicates Z: 54 37.321 1.837 0.835 0.777 0.943 0.717 CB 1.262 54 residues pruned to eliminate duplicates Z: 59 33.356 1.854 0.613 0.763 0.983 0.534 CB 1.180 59 residues pruned to eliminate duplicates Z: 30 19.025 1.755 0.537 0.817 0.931 0.586 CB 1.068 30 residues pruned to eliminate duplicates Z: 24 14.634 1.724 0.529 0.714 0.913 0.565 CB 1.044 24 residues pruned to eliminate duplicates Z: 52 27.934 1.915 0.507 0.772 0.922 0.765 CB 1.156 52 residues pruned to eliminate duplicates Z: 53 31.845 1.837 0.620 0.764 0.923 0.538 CB 1.272 53 residues pruned to eliminate duplicates Z: 86 41.237 1.859 0.731 0.702 0.941 0.588 CB 1.229 86 residues pruned to eliminate duplicates Z: 20 12.391 1.611 0.429 0.664 0.895 0.632 CB 1.185 20 residues pruned to eliminate duplicates Z: 24 14.481 1.720 0.470 0.708 0.913 0.696 CB 1.083 24 residues pruned to eliminate duplicates Z: 50 26.576 1.907 0.321 0.757 0.959 0.776 CB 1.250 50 residues pruned to eliminate duplicates Z: 29 15.550 1.750 0.555 0.741 0.821 0.643 CB 1.059 29 residues pruned to eliminate duplicates Z: 87 49.530 1.908 0.737 0.767 0.965 0.663 CB 1.318 87 residues pruned to eliminate duplicates Z: 23 13.913 1.745 0.380 0.711 0.909 0.545 CB 1.119 23 residues pruned to eliminate duplicates Z: 27 13.528 1.718 0.453 0.588 0.885 0.538 CB 1.104 27 residues pruned to eliminate duplicates Z: 22 13.962 1.737 0.467 0.718 0.952 0.619 CB 1.031 22 residues pruned to eliminate duplicates Z: 21 15.697 1.750 0.445 0.742 0.950 0.600 CB 1.177 21 residues pruned to eliminate duplicates Z: 28 16.749 1.763 0.483 0.765 0.926 0.704 CB 1.052 28 residues pruned to eliminate duplicates Z: 22 14.751 1.756 0.361 0.720 0.952 0.762 CB 1.159 22 residues pruned to eliminate duplicates Z: 21 16.844 1.771 0.560 0.754 1.000 0.700 CB 1.088 21 residues pruned to eliminate duplicates Z: 22 16.869 1.680 0.519 0.775 0.952 0.762 CB 1.187 22 residues pruned to eliminate duplicates Z: 19 19.034 1.746 0.636 0.877 1.000 0.944 CB 1.141 19 residues pruned to eliminate duplicates Z: 24 20.391 1.792 0.645 0.678 0.826 0.522 CB 1.482 24 residues pruned to eliminate duplicates Z: 24 21.030 1.851 0.535 0.686 0.913 0.652 CA 1.426 24 residues pruned to eliminate duplicates Z: 25 25.746 1.872 0.746 0.724 0.917 0.583 CA 1.433 25 residues pruned to eliminate duplicates Z: 46 30.116 1.916 0.539 0.683 0.978 0.667 CB 1.317 46 residues pruned to eliminate duplicates Z: 48 30.013 1.914 0.610 0.678 0.915 0.617 CB 1.319 48 residues pruned to eliminate duplicates Z: 22 26.503 1.902 0.785 0.755 0.952 0.619 CB 1.425 22 residues pruned to eliminate duplicates Z: 50 32.680 1.915 0.657 0.729 0.939 0.714 CB 1.276 50 residues pruned to eliminate duplicates Z: 49 31.001 1.901 0.626 0.726 0.958 0.688 CB 1.232 49 residues pruned to eliminate duplicates Z: 26 31.621 1.896 0.802 0.922 0.960 0.680 CB 1.356 26 residues pruned to eliminate duplicates Z: 50 30.471 1.890 0.707 0.737 0.959 0.571 CB 1.137 50 residues pruned to eliminate duplicates Z: 42 28.906 1.945 0.726 0.695 0.878 0.561 CB 1.281 42 residues pruned to eliminate duplicates Z: 49 36.158 1.930 0.757 0.745 0.958 0.625 CB 1.290 48 residues pruned to eliminate duplicates Z: 27 30.132 1.869 0.926 0.894 0.962 0.654 CB 1.224 27 residues pruned to eliminate duplicates Z: 14 16.506 1.799 0.750 0.613 0.923 0.538 CA 1.415 14 residues pruned to eliminate duplicates Z: 42 25.506 1.967 0.623 0.673 0.902 0.659 CB 1.179 42 residues pruned to eliminate duplicates Z: 30 32.189 1.794 1.026 0.865 0.966 0.586 CB 1.249 30 residues pruned to eliminate duplicates Z: 50 33.423 1.908 0.777 0.727 0.939 0.714 CB 1.222 50 residues pruned to eliminate duplicates Z: 51 32.920 1.910 0.750 0.728 0.960 0.640 CB 1.182 51 residues pruned to eliminate duplicates Z: 49 34.780 1.914 0.803 0.746 0.958 0.729 CB 1.218 49 residues pruned to eliminate duplicates Z: 18 18.756 1.658 0.848 0.805 0.941 0.706 CB 1.209 18 residues pruned to eliminate duplicates Z: 29 29.787 1.850 0.791 0.798 0.964 0.536 CB 1.357 29 residues pruned to eliminate duplicates Z: 11 9.728 1.679 0.503 0.696 0.900 0.700 CB 1.133 11 residues pruned to eliminate duplicates Z: 11 10.147 1.603 0.516 0.706 1.000 0.700 CB 1.095 11 residues pruned to eliminate duplicates Z: 26 27.689 1.832 0.914 0.771 0.880 0.440 CB 1.413 26 residues pruned to eliminate duplicates Z: 8 5.849 1.623 0.812 0.500 0.571 0.429 CB 1.316 8 residues pruned to eliminate duplicates Z: 9 7.756 1.627 0.575 0.417 0.875 0.250 N 1.334 9 residues pruned to eliminate duplicates Z: 11 6.704 1.686 0.369 0.499 0.800 0.600 CB 1.149 5 residues pruned to eliminate duplicates Z: 11 8.563 1.772 0.474 0.604 0.800 0.700 CB 1.174 11 residues pruned to eliminate duplicates Z: 30 22.358 1.840 0.670 0.658 0.897 0.586 CB 1.301 30 residues pruned to eliminate duplicates Z: 74 42.230 1.895 0.730 0.720 0.918 0.644 CB 1.347 90 residues pruned to eliminate duplicates Z: 16 14.926 1.758 0.509 0.655 0.933 0.733 CB 1.348 Z: 9 18.517 1.799 0.854 0.852 1.000 0.875 CA 1.451 12 residues pruned to eliminate duplicates Z: 10 16.266 1.632 0.846 0.904 1.000 0.778 CB 1.282 10 residues pruned to eliminate duplicates Z: 16 12.624 1.734 0.580 0.607 0.867 0.733 CB 1.241 16 residues pruned to eliminate duplicates Z: 9 18.501 1.792 0.691 0.901 1.000 0.875 CA 1.540 9 residues pruned to eliminate duplicates 372 residues left after pruning, divided into chains as follows: A: 17 B: 86 C: 17 D: 158 E: 82 F: 12 CC for partial structure against native data = 47.41 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.466, Connect. = 0.701 for dens.mod. cycle 1 = 0.300, Contrast = 0.533, Connect. = 0.728 for dens.mod. cycle 2 = 0.300, Contrast = 0.634, Connect. = 0.752 for dens.mod. cycle 3 = 0.300, Contrast = 0.644, Connect. = 0.753 for dens.mod. cycle 4 = 0.300, Contrast = 0.655, Connect. = 0.753 for dens.mod. cycle 5 = 0.300, Contrast = 0.659, Connect. = 0.754 for dens.mod. cycle 6 = 0.300, Contrast = 0.663, Connect. = 0.755 for dens.mod. cycle 7 = 0.300, Contrast = 0.665, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.667, Connect. = 0.756 for dens.mod. cycle 9 = 0.300, Contrast = 0.667, Connect. = 0.757 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1278 peaks > 0.5 sigma used to seed fragment search Space for about 536 unique residues taking solvent into account 364 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 23.826 2.054 0.517 0.882 1.000 0.938 CB 1.383 B: 25 28.566 2.066 0.571 0.926 1.000 0.875 CB 1.260 C: 25 29.916 2.098 0.416 0.902 0.958 0.792 CB 1.530 D: 26 34.528 2.039 0.690 0.884 1.000 0.800 CB 1.448 25 residues pruned to eliminate duplicates E: 16 31.029 2.095 0.827 0.901 1.000 0.800 CB 1.495 F: 16 29.722 2.074 0.779 0.904 1.000 0.800 CB 1.481 16 residues pruned to eliminate duplicates G: 24 43.312 2.199 0.797 0.921 1.000 0.826 CB 1.608 26 residues pruned to eliminate duplicates H: 22 33.311 2.146 0.764 0.926 0.952 0.857 CB 1.414 25 residues pruned to eliminate duplicates I: 26 33.309 2.053 0.617 0.891 1.000 0.720 CB 1.442 26 residues pruned to eliminate duplicates J: 17 26.613 1.969 0.709 0.924 1.000 0.938 CB 1.388 K: 17 24.969 2.036 0.554 0.865 1.000 0.875 CB 1.446 17 residues pruned to eliminate duplicates L: 17 25.866 2.078 0.544 0.903 1.000 0.812 CA 1.436 17 residues pruned to eliminate duplicates M: 23 26.986 2.109 0.428 0.921 1.000 0.909 CB 1.344 22 residues pruned to eliminate duplicates N: 23 28.043 2.128 0.349 0.918 1.000 0.955 CB 1.470 23 residues pruned to eliminate duplicates O: 26 30.961 2.053 0.610 0.915 1.000 0.960 CB 1.324 P: 28 29.583 1.877 0.870 0.878 0.926 0.704 CB 1.271 Q: 24 30.658 2.064 0.474 0.931 1.000 0.913 CB 1.468 24 residues pruned to eliminate duplicates R: 16 27.702 2.156 0.570 0.922 1.000 0.933 CB 1.486 16 residues pruned to eliminate duplicates S: 13 29.157 1.966 1.072 0.934 1.000 0.583 CB 1.441 T: 25 42.504 2.139 0.968 0.929 0.917 0.792 CB 1.574 24 residues pruned to eliminate duplicates U: 16 31.016 2.171 0.823 0.920 1.000 0.933 CB 1.425 17 residues pruned to eliminate duplicates V: 28 32.868 1.845 0.877 0.877 1.000 0.704 CB 1.327 28 residues pruned to eliminate duplicates W: 25 33.395 2.092 0.599 0.904 0.958 0.833 CB 1.514 25 residues pruned to eliminate duplicates X: 24 35.211 2.138 0.561 0.941 1.000 0.957 CB 1.527 24 residues pruned to eliminate duplicates Y: 10 15.637 1.807 0.531 0.864 1.000 0.889 CB 1.380 10 residues pruned to eliminate duplicates Z: 29 30.002 1.857 0.607 0.893 0.964 0.786 CB 1.414 27 residues pruned to eliminate duplicates Z: 28 27.392 1.795 0.804 0.857 0.926 0.630 CB 1.296 Z: 25 39.923 2.111 0.787 0.911 1.000 0.750 CB 1.531 25 residues pruned to eliminate duplicates Z: 24 29.130 2.093 0.463 0.911 1.000 0.870 CB 1.405 24 residues pruned to eliminate duplicates Z: 28 29.110 1.800 0.798 0.830 0.963 0.556 CB 1.352 28 residues pruned to eliminate duplicates Z: 12 16.767 1.870 0.523 0.893 0.909 0.636 N 1.402 Z: 16 29.656 2.088 0.745 0.908 1.000 0.933 CB 1.493 16 residues pruned to eliminate duplicates Z: 28 35.995 2.013 0.941 0.909 0.963 0.741 CB 1.307 26 residues pruned to eliminate duplicates Z: 25 44.199 2.135 0.954 0.939 1.000 0.750 CB 1.503 25 residues pruned to eliminate duplicates Z: 26 36.365 2.055 0.780 0.910 1.000 0.800 CB 1.410 26 residues pruned to eliminate duplicates Z: 16 32.794 2.107 0.949 0.917 1.000 0.667 CB 1.455 16 residues pruned to eliminate duplicates Z: 19 31.640 2.002 0.802 0.902 1.000 0.778 CB 1.475 17 residues pruned to eliminate duplicates Z: 25 33.831 1.911 0.759 0.895 1.000 0.750 CB 1.473 26 residues pruned to eliminate duplicates Z: 16 26.666 2.050 0.505 0.888 1.000 0.867 CB 1.608 16 residues pruned to eliminate duplicates Z: 29 30.118 1.828 0.715 0.872 0.964 0.857 CB 1.372 29 residues pruned to eliminate duplicates Z: 29 27.430 1.840 0.632 0.855 1.000 0.821 CB 1.274 29 residues pruned to eliminate duplicates Z: 21 27.439 1.909 0.452 0.912 1.000 0.950 CA 1.567 Z: 24 25.917 2.042 0.478 0.899 1.000 0.783 CB 1.281 24 residues pruned to eliminate duplicates Z: 14 26.050 1.984 0.661 0.906 1.000 0.846 CA 1.559 14 residues pruned to eliminate duplicates Z: 15 30.652 2.154 0.830 0.934 1.000 0.929 CB 1.450 15 residues pruned to eliminate duplicates Z: 26 43.985 2.068 0.959 0.908 1.000 0.840 CB 1.542 26 residues pruned to eliminate duplicates Z: 14 21.092 1.960 0.435 0.889 1.000 0.846 CA 1.497 12 residues pruned to eliminate duplicates Z: 16 30.323 2.154 0.995 0.905 0.933 0.733 CB 1.389 16 residues pruned to eliminate duplicates Z: 23 31.127 2.130 0.532 0.858 0.909 0.864 CB 1.647 23 residues pruned to eliminate duplicates Z: 25 47.502 2.140 1.031 0.918 1.000 0.792 CB 1.573 25 residues pruned to eliminate duplicates Z: 30 23.488 1.919 0.529 0.829 0.828 0.621 CB 1.352 30 residues pruned to eliminate duplicates Z: 15 22.831 2.051 0.898 0.911 0.929 0.786 CB 1.196 15 residues pruned to eliminate duplicates Z: 22 17.412 1.697 0.381 0.862 1.000 0.667 CB 1.190 Z: 16 29.789 2.072 0.813 0.873 1.000 0.867 CB 1.492 15 residues pruned to eliminate duplicates Z: 16 26.570 2.080 0.589 0.895 1.000 0.867 CB 1.487 16 residues pruned to eliminate duplicates Z: 25 30.140 1.935 0.555 0.884 1.000 0.833 CB 1.478 25 residues pruned to eliminate duplicates Z: 30 28.885 1.922 0.618 0.907 1.000 0.862 CB 1.226 30 residues pruned to eliminate duplicates Z: 9 17.680 1.922 0.458 0.899 1.000 0.875 CA 1.595 9 residues pruned to eliminate duplicates Z: 16 24.546 2.075 0.480 0.911 1.000 0.800 CB 1.462 16 residues pruned to eliminate duplicates Z: 26 31.648 1.908 0.682 0.900 1.000 0.800 CB 1.409 26 residues pruned to eliminate duplicates Z: 26 28.942 1.864 0.787 0.903 0.960 0.840 CB 1.291 26 residues pruned to eliminate duplicates Z: 16 18.800 2.017 0.409 0.909 0.933 0.933 CB 1.299 16 residues pruned to eliminate duplicates Z: 11 20.023 1.910 0.882 0.774 1.000 0.600 CB 1.383 11 residues pruned to eliminate duplicates Z: 27 28.805 2.051 0.386 0.914 1.000 0.923 CB 1.405 27 residues pruned to eliminate duplicates Z: 27 31.117 2.027 0.720 0.888 1.000 0.769 CB 1.262 27 residues pruned to eliminate duplicates Z: 10 12.975 1.722 0.448 0.846 1.000 0.889 CB 1.289 Z: 24 33.968 2.061 0.727 0.925 1.000 0.913 CB 1.396 23 residues pruned to eliminate duplicates Z: 28 32.803 2.018 0.678 0.903 1.000 0.926 CB 1.329 28 residues pruned to eliminate duplicates Z: 16 29.212 2.119 0.685 0.892 1.000 0.800 CB 1.517 16 residues pruned to eliminate duplicates Z: 25 32.853 2.078 0.796 0.897 1.000 0.708 CB 1.286 24 residues pruned to eliminate duplicates Z: 25 31.002 1.890 0.784 0.906 0.958 0.708 CB 1.393 25 residues pruned to eliminate duplicates Z: 26 19.589 1.998 0.169 0.876 0.960 0.800 CB 1.269 26 residues pruned to eliminate duplicates Z: 22 24.857 2.113 0.229 0.949 1.000 0.952 CB 1.442 22 residues pruned to eliminate duplicates Z: 16 21.564 2.071 0.300 0.895 1.000 0.733 CB 1.482 16 residues pruned to eliminate duplicates Z: 21 22.223 1.898 0.355 0.895 0.950 0.850 CB 1.458 19 residues pruned to eliminate duplicates Z: 24 37.840 2.143 0.891 0.931 0.957 0.783 CB 1.423 24 residues pruned to eliminate duplicates Z: 9 12.153 2.040 0.312 0.915 1.000 1.000 CB 1.134 Z: 23 34.310 2.139 0.745 0.932 1.000 0.864 CB 1.369 24 residues pruned to eliminate duplicates Z: 19 27.220 1.919 0.691 0.864 1.000 0.778 CB 1.450 19 residues pruned to eliminate duplicates Z: 17 32.377 2.095 0.983 0.890 1.000 0.812 CB 1.402 17 residues pruned to eliminate duplicates Z: 27 31.108 2.007 0.760 0.914 0.885 0.808 CB 1.381 27 residues pruned to eliminate duplicates Z: 16 30.242 2.063 0.738 0.895 1.000 1.000 CB 1.561 16 residues pruned to eliminate duplicates Z: 10 12.082 1.875 0.356 0.892 1.000 0.778 CB 1.138 Z: 24 30.095 1.909 0.719 0.852 0.957 0.783 CB 1.479 24 residues pruned to eliminate duplicates Z: 26 26.270 1.905 0.445 0.886 1.000 0.800 CB 1.377 26 residues pruned to eliminate duplicates Z: 13 20.444 1.984 0.305 0.910 1.000 0.750 CB 1.616 13 residues pruned to eliminate duplicates Z: 27 36.173 2.064 0.772 0.938 1.000 0.923 CB 1.349 27 residues pruned to eliminate duplicates Z: 25 16.339 1.691 0.495 0.858 0.958 0.750 CB 1.014 22 residues pruned to eliminate duplicates Z: 23 21.784 1.875 0.889 0.891 0.909 0.727 CB 1.037 4 residues pruned to eliminate duplicates Z: 18 37.820 2.227 0.720 0.930 1.000 0.941 CA 1.675 18 residues pruned to eliminate duplicates Z: 23 29.645 2.121 0.482 0.897 1.000 0.864 CB 1.440 23 residues pruned to eliminate duplicates Z: 20 28.206 1.923 0.656 0.933 1.000 0.895 CB 1.417 20 residues pruned to eliminate duplicates Z: 27 32.512 2.048 0.602 0.915 1.000 0.962 CB 1.373 27 residues pruned to eliminate duplicates Z: 10 9.422 1.894 0.181 0.812 0.889 0.556 CB 1.205 10 residues pruned to eliminate duplicates Z: 27 29.137 2.009 0.659 0.908 0.962 0.846 CB 1.266 27 residues pruned to eliminate duplicates Z: 14 11.545 1.803 0.474 0.734 0.769 0.385 CB 1.270 14 residues pruned to eliminate duplicates Z: 9 7.049 1.920 -0.184 0.916 1.000 1.000 CA 1.124 9 residues pruned to eliminate duplicates Z: 28 26.368 1.766 0.648 0.861 0.963 0.815 CB 1.330 28 residues pruned to eliminate duplicates Z: 7 9.651 1.824 0.343 0.643 1.000 0.833 CB 1.407 Z: 19 21.306 1.905 0.600 0.858 0.944 0.722 CB 1.285 19 residues pruned to eliminate duplicates Z: 26 33.241 2.075 0.584 0.914 1.000 0.880 CB 1.431 26 residues pruned to eliminate duplicates Z: 26 31.549 2.067 0.612 0.919 1.000 0.800 CB 1.335 26 residues pruned to eliminate duplicates Z: 26 29.436 1.893 0.614 0.890 0.960 0.840 CB 1.444 26 residues pruned to eliminate duplicates Z: 10 15.342 1.960 0.523 0.900 1.000 1.000 CB 1.224 9 residues pruned to eliminate duplicates Z: 13 20.693 1.865 0.622 0.871 1.000 0.750 CA 1.441 14 residues pruned to eliminate duplicates Z: 24 43.275 2.157 1.156 0.928 0.957 0.739 CB 1.421 24 residues pruned to eliminate duplicates Z: 16 31.141 2.097 0.777 0.903 1.000 0.733 CB 1.538 16 residues pruned to eliminate duplicates Z: 20 21.394 1.914 0.569 0.847 0.895 0.842 CB 1.356 20 residues pruned to eliminate duplicates Z: 11 13.540 1.495 0.557 0.872 1.000 1.000 CA 1.341 Z: 24 39.184 2.178 0.644 0.915 0.957 0.826 CB 1.685 24 residues pruned to eliminate duplicates Z: 17 16.212 1.768 0.550 0.848 1.000 0.688 CB 1.097 Z: 22 20.541 1.808 0.297 0.945 1.000 0.905 CA 1.323 22 residues pruned to eliminate duplicates Z: 29 26.495 1.939 0.491 0.886 0.964 0.714 CB 1.296 31 residues pruned to eliminate duplicates Z: 25 29.850 2.029 0.593 0.880 0.958 0.917 CB 1.425 25 residues pruned to eliminate duplicates Z: 20 16.010 1.705 0.692 0.887 0.947 0.684 CB 0.969 17 residues pruned to eliminate duplicates Z: 19 28.637 1.984 0.745 0.883 0.944 0.778 CB 1.493 19 residues pruned to eliminate duplicates Z: 23 38.613 2.145 1.033 0.900 0.955 0.682 CB 1.412 23 residues pruned to eliminate duplicates Z: 25 26.128 2.055 0.801 0.841 0.917 0.708 CB 1.172 25 residues pruned to eliminate duplicates Z: 24 43.455 2.181 0.991 0.950 0.957 0.739 CB 1.505 24 residues pruned to eliminate duplicates Z: 15 17.079 1.779 0.557 0.826 0.857 0.714 CB 1.450 13 residues pruned to eliminate duplicates Z: 27 23.039 1.796 0.458 0.907 1.000 0.962 CB 1.226 27 residues pruned to eliminate duplicates Z: 20 25.402 1.938 0.541 0.883 1.000 0.789 CB 1.411 20 residues pruned to eliminate duplicates Z: 24 30.965 2.104 0.581 0.928 1.000 0.826 CB 1.360 24 residues pruned to eliminate duplicates Z: 20 29.600 1.895 0.616 0.923 1.000 0.947 CB 1.558 20 residues pruned to eliminate duplicates Z: 24 38.331 2.165 0.560 0.913 1.000 0.783 CB 1.675 24 residues pruned to eliminate duplicates Z: 28 29.124 1.787 0.807 0.850 1.000 0.741 CB 1.287 28 residues pruned to eliminate duplicates Z: 26 20.624 1.820 0.436 0.743 0.920 0.640 CB 1.379 29 residues pruned to eliminate duplicates Z: 13 22.450 1.951 0.701 0.902 0.917 0.833 CB 1.520 13 residues pruned to eliminate duplicates Z: 11 13.434 1.898 0.810 0.844 0.900 0.800 CB 1.023 11 residues pruned to eliminate duplicates Z: 29 27.170 1.933 0.616 0.896 0.929 0.857 CB 1.268 29 residues pruned to eliminate duplicates Z: 7 12.317 1.899 0.546 0.827 1.000 0.833 CA 1.291 7 residues pruned to eliminate duplicates Z: 23 21.771 1.843 0.929 0.896 0.909 0.682 CB 1.029 25 residues pruned to eliminate duplicates Z: 25 30.801 1.913 0.594 0.895 1.000 0.750 CB 1.478 25 residues pruned to eliminate duplicates Z: 20 29.428 1.931 0.752 0.915 0.947 0.789 CB 1.489 20 residues pruned to eliminate duplicates Z: 9 6.216 1.590 0.243 0.585 0.875 0.625 CB 1.172 4 residues pruned to eliminate duplicates Z: 28 24.547 1.884 0.551 0.852 1.000 0.852 CB 1.196 28 residues pruned to eliminate duplicates Z: 19 24.176 1.882 0.406 0.930 1.000 0.944 CB 1.506 19 residues pruned to eliminate duplicates Z: 16 24.213 1.905 0.567 0.918 1.000 0.933 CA 1.476 16 residues pruned to eliminate duplicates Z: 20 28.282 1.894 0.677 0.914 1.000 0.789 CB 1.445 20 residues pruned to eliminate duplicates Z: 25 18.204 1.683 0.680 0.830 0.958 0.625 CB 1.032 25 residues pruned to eliminate duplicates Z: 19 21.048 1.785 0.357 0.918 1.000 0.889 CA 1.445 19 residues pruned to eliminate duplicates Z: 10 12.620 1.729 0.650 0.725 1.000 0.889 CA 1.204 10 residues pruned to eliminate duplicates Z: 23 21.852 2.034 0.602 0.893 0.864 0.682 CB 1.189 23 residues pruned to eliminate duplicates Z: 11 16.468 1.929 0.516 0.837 0.800 0.800 CA 1.664 11 residues pruned to eliminate duplicates Z: 21 21.681 1.785 0.416 0.923 1.000 0.950 CB 1.348 21 residues pruned to eliminate duplicates Z: 30 35.190 1.942 0.829 0.900 0.966 0.897 CB 1.361 28 residues pruned to eliminate duplicates Z: 11 21.076 1.958 0.528 0.919 1.000 0.900 CA 1.570 11 residues pruned to eliminate duplicates Z: 23 20.814 1.774 0.530 0.861 0.909 0.909 CA 1.321 23 residues pruned to eliminate duplicates Z: 11 13.619 1.837 0.409 0.703 1.000 0.800 CB 1.383 14 residues pruned to eliminate duplicates Z: 20 21.019 1.837 0.393 0.914 1.000 0.895 CB 1.333 20 residues pruned to eliminate duplicates Z: 28 18.220 1.726 0.635 0.854 0.963 0.778 CB 0.953 21 residues pruned to eliminate duplicates Z: 11 14.933 1.806 0.793 0.910 0.900 0.800 CB 1.148 11 residues pruned to eliminate duplicates Z: 25 41.600 2.147 0.862 0.933 0.958 0.833 CB 1.547 25 residues pruned to eliminate duplicates Z: 19 27.121 1.898 0.894 0.927 1.000 0.833 CB 1.246 19 residues pruned to eliminate duplicates Z: 23 28.914 2.082 0.521 0.901 1.000 0.818 CB 1.389 23 residues pruned to eliminate duplicates Z: 13 17.588 1.960 0.326 0.877 0.917 0.750 CB 1.548 13 residues pruned to eliminate duplicates Z: 12 13.096 1.768 0.475 0.900 0.909 0.818 CB 1.190 11 residues pruned to eliminate duplicates Z: 16 14.507 1.723 0.371 0.854 1.000 0.800 CB 1.171 16 residues pruned to eliminate duplicates Z: 6 11.268 1.736 0.571 0.885 1.000 1.000 N 1.334 Z: 22 29.597 2.146 0.535 0.958 0.952 0.905 CB 1.412 22 residues pruned to eliminate duplicates Z: 27 34.569 2.049 0.659 0.917 1.000 0.885 CB 1.407 27 residues pruned to eliminate duplicates Z: 10 7.297 1.671 0.100 0.774 0.778 0.667 CA 1.336 10 residues pruned to eliminate duplicates Z: 14 18.455 1.871 0.617 0.861 0.846 0.769 CB 1.470 14 residues pruned to eliminate duplicates Z: 25 28.702 2.109 0.601 0.845 0.958 0.708 CB 1.346 25 residues pruned to eliminate duplicates Z: 25 26.125 1.902 0.407 0.894 1.000 0.833 CB 1.430 25 residues pruned to eliminate duplicates Z: 7 6.690 1.749 0.396 0.456 0.833 0.667 O 1.405 4 residues pruned to eliminate duplicates Z: 23 38.651 2.150 0.929 0.943 1.000 0.818 CB 1.377 23 residues pruned to eliminate duplicates Z: 9 14.115 1.693 0.903 0.792 0.875 0.750 CB 1.370 9 residues pruned to eliminate duplicates Z: 9 11.129 1.841 0.127 0.863 1.000 0.875 CB 1.391 9 residues pruned to eliminate duplicates Z: 23 19.844 1.825 0.681 0.880 0.955 0.773 CB 1.047 23 residues pruned to eliminate duplicates Z: 25 25.262 1.849 0.776 0.829 0.917 0.542 CB 1.289 25 residues pruned to eliminate duplicates Z: 27 26.602 1.973 0.456 0.874 1.000 0.846 CB 1.321 27 residues pruned to eliminate duplicates Z: 11 10.697 1.551 0.352 0.867 1.000 0.900 CA 1.180 10 residues pruned to eliminate duplicates Z: 13 14.072 1.679 0.566 0.843 0.917 0.583 CB 1.254 10 residues pruned to eliminate duplicates Z: 25 31.279 2.089 0.712 0.883 0.958 0.917 CB 1.347 25 residues pruned to eliminate duplicates Z: 6 5.447 1.410 0.499 0.832 0.800 0.800 O 1.082 6 residues pruned to eliminate duplicates Z: 12 16.879 1.629 0.621 0.839 1.000 0.909 N 1.440 11 residues pruned to eliminate duplicates Z: 9 16.533 1.774 0.847 0.859 1.000 0.625 CB 1.313 9 residues pruned to eliminate duplicates Z: 12 12.029 1.654 0.511 0.867 1.000 0.727 CB 1.062 12 residues pruned to eliminate duplicates Z: 23 25.637 2.073 0.248 0.950 1.000 0.955 CB 1.456 23 residues pruned to eliminate duplicates Z: 26 26.792 2.007 0.348 0.904 1.000 0.880 CB 1.412 26 residues pruned to eliminate duplicates Z: 26 29.272 1.870 0.725 0.889 1.000 0.720 CB 1.307 26 residues pruned to eliminate duplicates Z: 24 39.639 2.148 0.881 0.900 0.957 0.739 CB 1.528 24 residues pruned to eliminate duplicates Z: 14 17.721 1.912 0.672 0.774 0.769 0.692 CB 1.568 14 residues pruned to eliminate duplicates Z: 17 25.753 1.875 0.928 0.906 0.938 0.688 CB 1.352 17 residues pruned to eliminate duplicates Z: 23 35.723 2.138 0.833 0.943 1.000 0.864 CB 1.347 23 residues pruned to eliminate duplicates Z: 10 13.212 1.910 0.374 0.917 1.000 0.889 CB 1.184 10 residues pruned to eliminate duplicates Z: 10 13.296 1.987 0.478 0.896 1.000 1.000 CB 1.081 10 residues pruned to eliminate duplicates Z: 17 30.326 2.013 0.823 0.897 1.000 0.875 CB 1.479 17 residues pruned to eliminate duplicates Z: 20 27.567 1.906 0.628 0.938 1.000 1.000 CB 1.418 20 residues pruned to eliminate duplicates Z: 26 30.518 1.872 0.628 0.911 1.000 0.720 CB 1.420 26 residues pruned to eliminate duplicates Z: 34 28.247 1.863 0.377 0.861 1.000 0.848 CB 1.408 34 residues pruned to eliminate duplicates Z: 26 28.289 1.829 0.964 0.908 0.960 0.680 CB 1.166 26 residues pruned to eliminate duplicates Z: 9 15.930 2.077 0.635 0.913 1.000 0.750 CB 1.173 9 residues pruned to eliminate duplicates Z: 26 31.640 2.017 0.844 0.850 1.000 0.640 CB 1.260 26 residues pruned to eliminate duplicates Z: 9 15.934 1.768 0.577 0.865 1.000 0.625 CA 1.480 9 residues pruned to eliminate duplicates Z: 23 30.947 2.067 0.703 0.929 1.000 1.000 CB 1.312 23 residues pruned to eliminate duplicates Z: 13 12.423 1.647 0.390 0.872 1.000 0.917 CB 1.142 13 residues pruned to eliminate duplicates Z: 16 31.839 2.170 0.860 0.893 1.000 0.733 CB 1.462 16 residues pruned to eliminate duplicates Z: 10 14.760 1.922 0.456 0.737 0.889 0.778 CB 1.599 10 residues pruned to eliminate duplicates Z: 28 26.384 1.819 0.922 0.849 1.000 0.519 CB 1.076 28 residues pruned to eliminate duplicates Z: 27 12.251 1.735 0.521 0.681 0.808 0.692 CB 0.954 27 residues pruned to eliminate duplicates Z: 6 3.036 1.377 0.264 0.411 0.800 0.400 N 1.071 Z: 27 28.057 1.806 0.557 0.923 1.000 0.962 CB 1.376 27 residues pruned to eliminate duplicates Z: 19 26.106 1.911 0.919 0.916 0.944 0.667 CB 1.254 19 residues pruned to eliminate duplicates 7 1.242 1.371 -0.079 0.142 0.667 0.500 N 0.937 ? Z: 8 4.658 1.535 0.144 0.791 0.714 0.429 CB 1.087 Z: 24 47.749 2.177 1.043 0.954 0.957 0.826 CB 1.610 24 residues pruned to eliminate duplicates Z: 8 9.051 1.797 0.490 0.807 0.857 0.857 CB 1.141 8 residues pruned to eliminate duplicates Z: 19 22.653 1.883 0.709 0.922 0.889 0.556 CB 1.312 19 residues pruned to eliminate duplicates Z: 29 28.536 1.825 0.817 0.857 0.964 0.607 CB 1.242 29 residues pruned to eliminate duplicates Z: 13 13.188 1.889 0.701 0.881 1.000 0.583 CB 0.857 13 residues pruned to eliminate duplicates Z: 7 7.417 1.652 0.215 0.824 1.000 0.833 CB 1.140 7 residues pruned to eliminate duplicates Z: 13 17.908 1.983 0.213 0.845 1.000 0.917 CB 1.597 13 residues pruned to eliminate duplicates Z: 31 33.895 1.874 1.010 0.882 1.000 0.700 CB 1.190 31 residues pruned to eliminate duplicates Z: 23 22.016 1.826 0.481 0.814 1.000 0.864 CB 1.321 16 residues pruned to eliminate duplicates Z: 13 12.473 1.605 0.659 0.814 0.833 0.750 CB 1.235 13 residues pruned to eliminate duplicates Z: 9 12.201 2.076 0.592 0.916 1.000 1.000 CB 0.922 9 residues pruned to eliminate duplicates Z: 10 10.695 1.606 0.420 0.787 0.889 0.778 N 1.366 11 residues pruned to eliminate duplicates Z: 10 13.567 1.630 0.445 0.870 1.000 0.667 N 1.402 10 residues pruned to eliminate duplicates Z: 29 23.589 1.916 0.498 0.846 0.929 0.821 CB 1.242 29 residues pruned to eliminate duplicates Z: 12 9.375 1.635 0.388 0.896 0.909 0.636 CB 0.982 12 residues pruned to eliminate duplicates Z: 10 15.114 1.999 0.555 0.900 1.000 0.889 CB 1.158 9 residues pruned to eliminate duplicates Z: 27 38.340 1.868 1.071 0.903 1.000 0.615 CB 1.386 32 residues pruned to eliminate duplicates Z: 30 29.410 2.018 0.580 0.795 0.966 0.759 CB 1.370 25 residues pruned to eliminate duplicates Z: 18 21.983 1.856 0.587 0.864 0.941 0.765 CB 1.410 18 residues pruned to eliminate duplicates Z: 23 29.603 2.032 0.396 0.913 1.000 0.818 CB 1.576 23 residues pruned to eliminate duplicates Z: 7 8.450 1.694 0.410 0.827 1.000 1.000 CB 1.089 7 residues pruned to eliminate duplicates Z: 12 14.066 1.949 0.715 0.907 1.000 0.727 CB 0.902 12 residues pruned to eliminate duplicates Z: 19 22.336 1.872 0.563 0.904 1.000 0.889 CB 1.281 19 residues pruned to eliminate duplicates Z: 25 21.484 1.816 0.323 0.846 0.958 0.708 CB 1.415 25 residues pruned to eliminate duplicates Z: 27 15.897 1.747 0.405 0.865 0.923 0.654 CB 1.008 27 residues pruned to eliminate duplicates Z: 29 27.034 1.918 0.627 0.885 0.964 0.750 CB 1.226 29 residues pruned to eliminate duplicates Z: 28 29.843 1.850 0.774 0.821 0.963 0.667 CB 1.375 28 residues pruned to eliminate duplicates Z: 20 16.754 1.720 0.623 0.825 0.947 0.737 CB 1.097 20 residues pruned to eliminate duplicates Z: 8 7.337 1.564 0.546 0.788 0.857 0.571 CB 1.039 8 residues pruned to eliminate duplicates Z: 18 16.284 1.668 0.562 0.859 0.941 0.824 CB 1.185 18 residues pruned to eliminate duplicates Z: 10 11.544 1.643 0.232 0.852 1.000 0.778 CB 1.406 11 residues pruned to eliminate duplicates Z: 29 28.881 1.867 0.905 0.873 0.964 0.571 CB 1.159 29 residues pruned to eliminate duplicates Z: 31 27.163 1.901 0.745 0.695 0.900 0.500 CB 1.390 32 residues pruned to eliminate duplicates Z: 25 31.690 1.821 1.015 0.905 1.000 0.583 CB 1.254 25 residues pruned to eliminate duplicates Z: 21 31.488 1.954 0.670 0.904 1.000 0.750 CB 1.537 20 residues pruned to eliminate duplicates Z: 79 38.587 1.895 0.550 0.699 0.923 0.705 CB 1.344 76 residues pruned to eliminate duplicates Z: 13 10.236 1.617 0.394 0.772 0.917 0.583 CB 1.125 13 residues pruned to eliminate duplicates Z: 6 2.485 1.517 0.035 0.369 0.800 0.400 C 1.019 Z: 10 12.254 1.758 0.720 0.859 1.000 0.667 CB 0.994 10 residues pruned to eliminate duplicates Z: 15 12.199 1.691 0.252 0.875 1.000 0.714 CB 1.120 15 residues pruned to eliminate duplicates Z: 29 30.694 1.904 0.795 0.884 1.000 0.643 CB 1.226 29 residues pruned to eliminate duplicates Z: 16 22.374 1.953 0.727 0.914 1.000 0.667 CB 1.211 16 residues pruned to eliminate duplicates Z: 19 17.583 1.922 0.319 0.852 0.944 0.778 CB 1.280 19 residues pruned to eliminate duplicates Z: 9 14.398 2.112 0.710 0.911 1.000 0.750 CB 0.999 9 residues pruned to eliminate duplicates Z: 35 24.483 1.776 0.778 0.833 0.882 0.500 CB 1.130 35 residues pruned to eliminate duplicates Z: 31 29.342 1.930 0.838 0.708 0.933 0.600 CB 1.340 31 residues pruned to eliminate duplicates Z: 12 11.811 1.766 0.367 0.863 1.000 0.909 CB 1.082 12 residues pruned to eliminate duplicates Z: 11 12.688 1.668 0.503 0.804 0.900 0.700 CB 1.364 11 residues pruned to eliminate duplicates Z: 27 37.723 2.065 0.785 0.928 1.000 1.000 CB 1.405 30 residues pruned to eliminate duplicates 7 1.340 1.368 0.778 0.083 0.500 0.333 CB 0.771 ? Z: 11 13.611 1.688 0.608 0.822 1.000 0.800 CB 1.199 11 residues pruned to eliminate duplicates Z: 24 17.539 1.705 0.710 0.824 0.957 0.739 CB 0.990 24 residues pruned to eliminate duplicates Z: 9 12.199 1.785 0.319 0.871 1.000 1.000 CB 1.337 9 residues pruned to eliminate duplicates Z: 24 35.973 2.073 0.913 0.908 1.000 0.609 CB 1.344 24 residues pruned to eliminate duplicates Z: 15 27.232 1.945 0.989 0.909 0.929 0.571 CB 1.438 15 residues pruned to eliminate duplicates Z: 8 7.547 1.491 0.179 0.840 1.000 0.857 CB 1.211 8 residues pruned to eliminate duplicates Z: 25 24.367 1.860 0.376 0.888 0.958 0.833 CB 1.461 25 residues pruned to eliminate duplicates Z: 18 20.483 1.916 0.433 0.866 0.941 0.941 CB 1.407 18 residues pruned to eliminate duplicates Z: 21 20.674 1.892 0.664 0.867 0.950 0.800 CB 1.130 21 residues pruned to eliminate duplicates Z: 26 24.887 1.833 0.437 0.895 1.000 0.800 CB 1.355 26 residues pruned to eliminate duplicates Z: 18 20.785 1.849 0.594 0.851 0.882 0.706 CA 1.434 18 residues pruned to eliminate duplicates Z: 16 24.593 2.067 0.523 0.916 1.000 0.933 CA 1.424 16 residues pruned to eliminate duplicates Z: 8 6.942 1.469 0.409 0.840 0.857 0.714 N 1.104 8 residues pruned to eliminate duplicates Z: 30 33.034 1.834 0.779 0.860 0.966 0.621 CB 1.432 30 residues pruned to eliminate duplicates Z: 11 15.103 1.699 0.797 0.808 0.900 0.600 N 1.329 11 residues pruned to eliminate duplicates Z: 19 26.047 1.910 0.763 0.917 1.000 0.889 CB 1.287 19 residues pruned to eliminate duplicates Z: 13 3.099 1.354 0.067 0.278 0.750 0.417 N 1.061 Z: 14 14.237 1.767 0.323 0.884 1.000 0.846 CB 1.220 14 residues pruned to eliminate duplicates Z: 16 14.370 1.654 0.421 0.898 1.000 0.933 CB 1.129 16 residues pruned to eliminate duplicates Z: 11 15.123 1.611 0.556 0.875 1.000 0.900 CB 1.387 11 residues pruned to eliminate duplicates Z: 9 8.368 1.667 0.352 0.846 1.000 1.000 CB 0.975 9 residues pruned to eliminate duplicates Z: 28 26.755 1.831 0.834 0.915 0.963 0.778 CB 1.125 28 residues pruned to eliminate duplicates Z: 6 3.855 1.603 0.617 0.424 0.600 0.400 CB 1.200 Z: 7 4.005 1.582 0.086 0.883 1.000 1.000 CB 0.688 7 residues pruned to eliminate duplicates Z: 15 25.123 1.901 0.515 0.901 1.000 0.857 CA 1.664 15 residues pruned to eliminate duplicates Z: 13 6.560 1.665 0.784 0.554 0.583 0.333 CB 1.037 13 residues pruned to eliminate duplicates Z: 7 2.389 1.382 0.404 0.402 0.667 0.167 CB 0.836 Z: 9 12.455 1.713 0.797 0.846 1.000 0.625 CB 1.063 9 residues pruned to eliminate duplicates Z: 20 22.334 1.892 0.742 0.829 0.895 0.789 CB 1.307 20 residues pruned to eliminate duplicates Z: 28 25.083 1.771 0.531 0.891 0.963 0.926 CB 1.329 28 residues pruned to eliminate duplicates Z: 7 11.621 1.708 0.528 0.831 1.000 0.167 CA 1.366 6 residues pruned to eliminate duplicates Z: 11 10.358 1.730 0.720 0.903 0.900 0.500 CB 0.872 11 residues pruned to eliminate duplicates Z: 28 22.470 1.915 0.434 0.719 0.926 0.593 CB 1.395 28 residues pruned to eliminate duplicates Z: 26 21.902 1.881 0.630 0.715 0.880 0.760 CB 1.337 26 residues pruned to eliminate duplicates Z: 21 16.614 1.754 0.191 0.927 1.000 0.850 CB 1.246 21 residues pruned to eliminate duplicates Z: 25 15.179 1.699 0.455 0.858 0.917 0.708 CB 1.007 25 residues pruned to eliminate duplicates Z: 10 15.940 1.764 0.478 0.896 1.000 0.889 CB 1.461 10 residues pruned to eliminate duplicates Z: 7 3.629 1.281 0.900 0.254 0.833 0.500 O 0.969 Z: 17 29.418 2.054 0.689 0.887 1.000 0.812 CB 1.529 17 residues pruned to eliminate duplicates Z: 25 22.263 2.007 0.516 0.840 0.875 0.750 CB 1.274 25 residues pruned to eliminate duplicates Z: 8 4.336 1.516 0.593 0.379 0.714 0.429 CB 1.080 Z: 20 17.785 1.898 0.282 0.780 0.947 0.895 CA 1.383 20 residues pruned to eliminate duplicates Z: 15 24.217 2.149 0.393 0.920 1.000 0.857 CA 1.522 15 residues pruned to eliminate duplicates Z: 13 9.485 1.655 0.110 0.885 1.000 0.750 CB 1.076 13 residues pruned to eliminate duplicates Z: 25 24.456 2.014 0.886 0.758 0.875 0.542 CB 1.195 25 residues pruned to eliminate duplicates Z: 20 12.169 1.683 0.298 0.852 1.000 0.947 CB 0.945 19 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 16 24.577 2.072 0.417 0.891 1.000 0.867 CB 1.554 16 residues pruned to eliminate duplicates Z: 18 20.250 1.986 0.353 0.819 0.941 0.941 CB 1.472 18 residues pruned to eliminate duplicates Z: 17 25.286 2.084 0.521 0.825 1.000 0.875 CB 1.505 17 residues pruned to eliminate duplicates Z: 18 27.720 2.018 0.661 0.861 1.000 0.882 CB 1.474 18 residues pruned to eliminate duplicates Z: 17 26.491 2.079 0.572 0.829 1.000 0.875 CB 1.525 17 residues pruned to eliminate duplicates Z: 18 27.671 2.035 0.764 0.803 1.000 0.824 CB 1.435 17 residues pruned to eliminate duplicates Z: 17 25.118 2.012 0.624 0.897 1.000 0.750 CB 1.376 17 residues pruned to eliminate duplicates Z: 16 32.012 2.161 0.813 0.864 1.000 0.933 CB 1.546 16 residues pruned to eliminate duplicates Z: 18 26.279 2.026 0.660 0.846 1.000 0.824 CB 1.408 18 residues pruned to eliminate duplicates Z: 17 26.639 2.035 0.896 0.798 0.938 0.812 CB 1.419 18 residues pruned to eliminate duplicates Z: 16 32.722 2.115 0.873 0.917 1.000 0.867 CB 1.505 16 residues pruned to eliminate duplicates Z: 17 30.522 2.077 0.781 0.818 1.000 0.875 CB 1.564 17 residues pruned to eliminate duplicates Z: 17 29.914 2.080 0.691 0.818 1.000 0.938 CB 1.614 17 residues pruned to eliminate duplicates Z: 19 23.581 1.997 0.620 0.810 0.944 0.889 CB 1.389 19 residues pruned to eliminate duplicates Z: 16 32.873 2.150 0.740 0.863 1.000 0.867 CB 1.664 16 residues pruned to eliminate duplicates Z: 12 4.061 1.514 0.152 0.456 0.727 0.273 CB 1.009 8 residues pruned to eliminate duplicates Z: 12 6.632 1.572 0.141 0.768 0.909 0.545 CB 0.967 12 residues pruned to eliminate duplicates Z: 12 3.573 1.455 0.148 0.508 0.727 0.091 N 0.879 12 residues pruned to eliminate duplicates Z: 10 3.873 1.437 0.283 0.475 0.889 0.667 CB 0.807 10 residues pruned to eliminate duplicates Z: 13 3.621 1.363 0.268 0.548 0.667 0.333 CB 0.865 13 residues pruned to eliminate duplicates Z: 16 5.539 1.478 0.369 0.505 0.800 0.533 CB 0.879 16 residues pruned to eliminate duplicates Z: 14 8.682 1.610 0.622 0.669 0.846 0.462 CB 0.932 15 residues pruned to eliminate duplicates Z: 25 16.243 1.695 0.499 0.842 0.958 0.625 CB 1.014 25 residues pruned to eliminate duplicates Z: 26 12.798 1.699 0.430 0.779 0.920 0.520 CB 0.895 26 residues pruned to eliminate duplicates Z: 9 3.235 1.505 0.145 0.589 0.750 0.375 CB 0.813 9 residues pruned to eliminate duplicates Z: 15 4.140 1.570 0.093 0.545 0.786 0.500 CB 0.785 15 residues pruned to eliminate duplicates Z: 24 14.601 1.688 0.652 0.683 0.957 0.652 CB 0.965 24 residues pruned to eliminate duplicates Z: 20 16.685 1.756 0.590 0.818 1.000 0.737 CB 1.039 20 residues pruned to eliminate duplicates Z: 23 13.660 1.702 0.455 0.644 0.909 0.636 CB 1.131 23 residues pruned to eliminate duplicates Z: 17 14.133 1.788 0.414 0.750 0.938 0.562 CB 1.193 17 residues pruned to eliminate duplicates Z: 16 15.439 1.730 0.530 0.707 1.000 0.533 CB 1.247 15 residues pruned to eliminate duplicates Z: 14 17.397 1.846 0.470 0.902 1.000 0.923 CB 1.269 15 residues pruned to eliminate duplicates Z: 21 15.409 1.664 0.524 0.904 0.950 0.700 CB 1.019 21 residues pruned to eliminate duplicates Z: 47 31.394 1.936 0.523 0.750 0.957 0.783 CB 1.313 43 residues pruned to eliminate duplicates Z: 25 14.580 1.702 0.626 0.811 0.875 0.625 CB 0.937 25 residues pruned to eliminate duplicates Z: 14 16.619 1.845 0.562 0.793 1.000 0.692 CB 1.237 14 residues pruned to eliminate duplicates Z: 25 13.531 1.687 0.595 0.649 0.875 0.583 CB 1.022 25 residues pruned to eliminate duplicates Z: 27 15.810 1.722 0.474 0.648 1.000 0.577 CB 1.065 27 residues pruned to eliminate duplicates Z: 46 31.141 1.927 0.480 0.796 0.978 0.778 CB 1.285 46 residues pruned to eliminate duplicates Z: 46 30.368 1.963 0.442 0.789 0.933 0.756 CB 1.328 46 residues pruned to eliminate duplicates Z: 26 13.714 1.718 0.460 0.600 0.880 0.720 CB 1.129 26 residues pruned to eliminate duplicates Z: 53 26.105 1.895 0.559 0.695 0.846 0.692 CB 1.212 53 residues pruned to eliminate duplicates Z: 44 31.844 1.979 0.543 0.776 0.930 0.791 CB 1.341 44 residues pruned to eliminate duplicates Z: 43 18.904 1.868 0.414 0.623 0.857 0.667 CB 1.147 43 residues pruned to eliminate duplicates Z: 30 28.093 2.047 0.437 0.809 0.966 0.828 CB 1.402 30 residues pruned to eliminate duplicates Z: 33 18.651 1.882 0.517 0.585 0.844 0.656 CB 1.261 33 residues pruned to eliminate duplicates Z: 28 25.791 2.049 0.392 0.784 0.926 0.778 CB 1.464 28 residues pruned to eliminate duplicates Z: 53 30.017 1.917 0.542 0.713 0.923 0.692 CB 1.257 53 residues pruned to eliminate duplicates Z: 27 36.318 2.147 0.675 0.862 0.962 0.808 CB 1.512 27 residues pruned to eliminate duplicates Z: 53 31.220 1.932 0.651 0.701 0.865 0.692 CB 1.306 53 residues pruned to eliminate duplicates Z: 29 33.010 2.127 0.727 0.763 0.929 0.714 CB 1.448 29 residues pruned to eliminate duplicates Z: 46 35.351 1.995 0.679 0.777 0.911 0.711 CB 1.352 46 residues pruned to eliminate duplicates Z: 28 32.777 2.109 0.667 0.814 0.963 0.852 CB 1.418 28 residues pruned to eliminate duplicates Z: 27 38.428 2.124 0.678 0.857 0.962 0.692 CB 1.620 27 residues pruned to eliminate duplicates Z: 30 29.380 2.073 0.717 0.732 0.862 0.724 CB 1.443 30 residues pruned to eliminate duplicates Z: 28 37.079 2.124 0.710 0.804 0.963 0.778 CB 1.564 28 residues pruned to eliminate duplicates Z: 26 38.120 2.157 0.730 0.840 0.960 0.800 CB 1.588 26 residues pruned to eliminate duplicates Z: 27 41.922 2.133 0.825 0.832 1.000 0.846 CB 1.586 27 residues pruned to eliminate duplicates Z: 30 35.999 2.107 0.728 0.798 0.966 0.724 CB 1.465 30 residues pruned to eliminate duplicates Z: 32 29.336 2.045 0.782 0.717 0.871 0.742 CB 1.364 32 residues pruned to eliminate duplicates Z: 31 33.301 2.092 0.891 0.756 0.900 0.667 CB 1.360 31 residues pruned to eliminate duplicates Z: 32 31.493 2.058 0.831 0.752 0.903 0.613 CB 1.327 32 residues pruned to eliminate duplicates Z: 54 35.380 1.932 0.745 0.735 0.943 0.717 CB 1.238 53 residues pruned to eliminate duplicates Z: 24 44.746 2.187 0.883 0.932 0.957 0.783 CB 1.654 25 residues pruned to eliminate duplicates Z: 24 44.903 2.150 1.020 0.924 0.957 0.739 CB 1.583 24 residues pruned to eliminate duplicates Z: 26 39.870 2.118 0.958 0.895 0.920 0.720 CB 1.499 26 residues pruned to eliminate duplicates Z: 27 38.937 2.153 0.790 0.821 1.000 0.731 CB 1.500 27 residues pruned to eliminate duplicates Z: 32 29.643 2.079 0.775 0.726 0.871 0.613 CB 1.351 32 residues pruned to eliminate duplicates Z: 32 33.552 2.068 0.946 0.757 0.903 0.613 CB 1.319 32 residues pruned to eliminate duplicates Z: 27 43.059 2.139 0.922 0.817 1.000 0.692 CB 1.559 27 residues pruned to eliminate duplicates Z: 28 39.377 2.134 1.003 0.780 0.963 0.704 CB 1.439 28 residues pruned to eliminate duplicates Z: 28 41.501 2.110 0.929 0.815 0.963 0.667 CB 1.549 28 residues pruned to eliminate duplicates Z: 55 45.680 2.014 0.791 0.791 0.926 0.741 CB 1.442 54 residues pruned to eliminate duplicates Z: 28 22.311 1.835 0.434 0.801 0.926 0.741 CB 1.355 28 residues pruned to eliminate duplicates Z: 26 28.066 1.890 0.605 0.872 0.960 0.760 CB 1.405 26 residues pruned to eliminate duplicates Z: 26 28.997 1.916 0.560 0.899 0.960 0.920 CB 1.444 26 residues pruned to eliminate duplicates Z: 26 30.566 1.911 0.581 0.887 1.000 0.920 CB 1.459 26 residues pruned to eliminate duplicates Z: 25 26.204 1.883 0.639 0.842 0.958 0.750 CB 1.348 25 residues pruned to eliminate duplicates Z: 25 24.369 1.851 0.452 0.857 0.958 0.708 CB 1.424 25 residues pruned to eliminate duplicates Z: 25 28.940 1.933 0.637 0.884 0.917 0.750 CB 1.471 25 residues pruned to eliminate duplicates Z: 26 28.997 1.899 0.569 0.891 1.000 0.800 CB 1.399 26 residues pruned to eliminate duplicates Z: 26 30.097 1.902 0.658 0.861 0.960 0.720 CB 1.461 26 residues pruned to eliminate duplicates Z: 21 24.655 1.943 0.614 0.822 0.950 0.800 CB 1.400 21 residues pruned to eliminate duplicates Z: 25 30.027 1.946 0.558 0.906 0.958 0.792 CB 1.500 25 residues pruned to eliminate duplicates Z: 19 30.526 2.003 0.575 0.902 1.000 0.889 CB 1.627 19 residues pruned to eliminate duplicates Z: 28 25.956 1.805 0.510 0.860 1.000 0.815 CB 1.348 28 residues pruned to eliminate duplicates Z: 19 35.673 2.008 0.804 0.926 1.000 0.889 CA 1.628 19 residues pruned to eliminate duplicates Z: 20 30.168 1.925 0.725 0.833 1.000 0.737 CB 1.563 20 residues pruned to eliminate duplicates Z: 26 33.340 1.910 0.738 0.883 1.000 0.680 CB 1.452 26 residues pruned to eliminate duplicates Z: 25 30.576 1.924 0.681 0.902 0.958 0.583 CB 1.437 25 residues pruned to eliminate duplicates Z: 19 34.464 2.007 0.842 0.914 1.000 0.611 CB 1.554 19 residues pruned to eliminate duplicates Z: 82 43.190 1.907 0.680 0.735 0.951 0.630 CB 1.276 82 residues pruned to eliminate duplicates Z: 24 34.786 1.966 0.750 0.891 1.000 0.565 CB 1.516 24 residues pruned to eliminate duplicates Z: 28 28.080 1.812 0.777 0.883 0.926 0.481 CB 1.311 28 residues pruned to eliminate duplicates Z: 14 25.335 1.985 1.134 0.826 0.846 0.538 CB 1.479 14 residues pruned to eliminate duplicates Z: 12 28.483 2.032 0.938 0.922 1.000 0.455 CA 1.534 12 residues pruned to eliminate duplicates Z: 13 24.394 1.971 0.908 0.840 1.000 0.583 CB 1.397 13 residues pruned to eliminate duplicates Z: 16 17.329 1.823 0.725 0.786 0.933 0.200 CB 1.186 16 residues pruned to eliminate duplicates Z: 22 25.789 1.867 0.861 0.801 0.905 0.333 CB 1.376 22 residues pruned to eliminate duplicates Z: 10 14.347 2.111 0.587 0.699 0.778 0.667 CB 1.531 10 residues pruned to eliminate duplicates Z: 36 22.658 1.966 0.402 0.630 0.886 0.629 CB 1.388 33 residues pruned to eliminate duplicates Z: 6 6.534 1.688 0.809 0.555 0.800 0.600 N 1.135 6 residues pruned to eliminate duplicates Z: 19 25.638 2.060 0.525 0.803 1.000 0.944 CB 1.476 19 residues pruned to eliminate duplicates Z: 19 26.402 2.063 0.614 0.792 1.000 0.667 CB 1.447 19 residues pruned to eliminate duplicates Z: 19 29.078 2.070 0.755 0.815 1.000 0.889 CB 1.434 19 residues pruned to eliminate duplicates Z: 16 29.961 2.089 0.823 0.871 1.000 0.800 CB 1.481 16 residues pruned to eliminate duplicates Z: 20 27.270 1.999 0.818 0.755 1.000 0.789 CB 1.372 20 residues pruned to eliminate duplicates Z: 16 33.601 2.167 1.067 0.871 1.000 0.800 CB 1.413 16 residues pruned to eliminate duplicates Z: 16 34.409 2.171 0.996 0.867 1.000 0.800 CB 1.499 16 residues pruned to eliminate duplicates Z: 19 28.758 2.051 0.797 0.816 1.000 0.722 CB 1.398 19 residues pruned to eliminate duplicates Z: 20 25.280 1.968 0.793 0.765 0.947 0.632 CB 1.372 20 residues pruned to eliminate duplicates Z: 20 27.413 1.970 0.856 0.778 0.947 0.684 CB 1.421 19 residues pruned to eliminate duplicates Z: 15 28.954 2.173 0.987 0.913 0.929 0.786 CB 1.366 15 residues pruned to eliminate duplicates Z: 28 20.780 1.880 0.796 0.576 0.889 0.407 CB 1.239 28 residues pruned to eliminate duplicates Z: 16 8.390 1.798 0.084 0.456 0.867 0.667 CB 1.341 16 residues pruned to eliminate duplicates Z: 7 9.454 1.699 0.397 0.823 1.000 1.000 CB 1.229 7 residues pruned to eliminate duplicates Z: 7 7.448 1.625 0.546 0.725 0.833 0.833 N 1.186 7 residues pruned to eliminate duplicates Z: 11 8.950 1.747 0.379 0.551 0.900 0.700 CB 1.241 11 residues pruned to eliminate duplicates Z: 22 21.028 1.877 0.631 0.741 0.905 0.762 CB 1.335 21 residues pruned to eliminate duplicates Z: 9 7.125 1.690 0.496 0.597 0.875 0.500 CB 1.038 9 residues pruned to eliminate duplicates Z: 23 25.070 1.903 0.603 0.705 1.000 0.727 CB 1.455 23 residues pruned to eliminate duplicates Z: 14 17.828 1.835 0.380 0.848 1.000 0.846 CA 1.449 14 residues pruned to eliminate duplicates Z: 26 20.303 1.826 0.569 0.600 0.960 0.560 CB 1.342 27 residues pruned to eliminate duplicates Z: 15 25.516 1.945 0.631 0.915 1.000 0.643 CB 1.520 15 residues pruned to eliminate duplicates Z: 27 19.476 1.851 0.539 0.636 0.885 0.577 CB 1.334 27 residues pruned to eliminate duplicates Z: 25 22.746 1.823 0.635 0.658 0.958 0.667 CB 1.404 25 residues pruned to eliminate duplicates Z: 21 19.473 1.819 0.725 0.601 1.000 0.400 CB 1.260 21 residues pruned to eliminate duplicates Z: 22 22.914 1.886 0.602 0.710 0.952 0.714 CB 1.437 22 residues pruned to eliminate duplicates Z: 26 25.443 1.844 0.651 0.682 1.000 0.720 CB 1.414 26 residues pruned to eliminate duplicates Z: 17 16.613 1.870 0.729 0.672 0.875 0.312 CB 1.253 17 residues pruned to eliminate duplicates Z: 21 15.232 1.843 0.402 0.735 0.900 0.600 CB 1.185 21 residues pruned to eliminate duplicates Z: 24 19.356 1.888 0.585 0.631 0.870 0.609 CB 1.372 24 residues pruned to eliminate duplicates Z: 23 20.327 1.807 0.763 0.819 0.909 0.773 CB 1.135 23 residues pruned to eliminate duplicates Z: 16 15.346 1.770 0.601 0.859 0.933 0.733 CB 1.102 16 residues pruned to eliminate duplicates Z: 15 12.074 1.608 1.042 0.678 0.929 0.286 CB 0.899 15 residues pruned to eliminate duplicates Z: 32 25.744 1.871 0.818 0.729 0.903 0.710 CB 1.225 36 residues pruned to eliminate duplicates Z: 22 23.589 1.872 0.933 0.882 0.952 0.810 CB 1.081 22 residues pruned to eliminate duplicates Z: 18 18.560 1.865 0.701 0.902 0.882 0.765 CB 1.147 18 residues pruned to eliminate duplicates Z: 20 19.532 1.849 1.052 0.871 0.895 0.579 CB 0.963 20 residues pruned to eliminate duplicates Z: 28 21.554 1.782 0.704 0.703 0.889 0.630 CB 1.278 28 residues pruned to eliminate duplicates Z: 19 16.755 1.783 0.798 0.699 0.833 0.667 CB 1.232 19 residues pruned to eliminate duplicates Z: 20 18.527 1.905 0.845 0.805 0.842 0.684 CB 1.100 20 residues pruned to eliminate duplicates Z: 38 28.604 1.861 0.709 0.770 0.892 0.622 CB 1.305 38 residues pruned to eliminate duplicates Z: 19 17.745 1.851 0.935 0.881 0.889 0.722 CB 0.951 19 residues pruned to eliminate duplicates Z: 36 24.805 1.872 0.726 0.708 0.914 0.657 CB 1.175 36 residues pruned to eliminate duplicates Z: 34 22.799 1.857 0.781 0.680 0.909 0.545 CB 1.119 34 residues pruned to eliminate duplicates Z: 62 36.977 1.869 0.712 0.752 0.902 0.607 CB 1.311 62 residues pruned to eliminate duplicates Z: 46 29.990 1.888 0.610 0.687 0.911 0.600 CB 1.360 46 residues pruned to eliminate duplicates Z: 51 28.339 1.810 0.549 0.645 0.960 0.540 CB 1.300 51 residues pruned to eliminate duplicates Z: 54 26.198 1.804 0.537 0.624 0.887 0.660 CB 1.302 54 residues pruned to eliminate duplicates Z: 55 33.792 1.898 0.632 0.733 0.944 0.593 CB 1.275 55 residues pruned to eliminate duplicates Z: 35 23.083 1.871 0.814 0.677 0.853 0.588 CB 1.162 35 residues pruned to eliminate duplicates Z: 38 31.852 1.952 0.548 0.765 0.919 0.784 CB 1.491 38 residues pruned to eliminate duplicates Z: 36 24.749 1.835 0.670 0.718 0.857 0.657 CB 1.308 36 residues pruned to eliminate duplicates Z: 46 26.236 1.833 0.738 0.627 0.889 0.622 CB 1.225 46 residues pruned to eliminate duplicates Z: 38 31.338 1.884 0.726 0.784 0.892 0.622 CB 1.384 38 residues pruned to eliminate duplicates Z: 53 34.155 1.925 0.681 0.741 0.865 0.558 CB 1.363 53 residues pruned to eliminate duplicates Z: 50 35.802 1.936 0.696 0.762 0.898 0.694 CB 1.375 50 residues pruned to eliminate duplicates Z: 63 28.518 1.863 0.508 0.636 0.855 0.597 CB 1.327 63 residues pruned to eliminate duplicates Z: 25 24.805 1.935 0.746 0.712 0.875 0.667 CB 1.414 25 residues pruned to eliminate duplicates Z: 35 20.739 1.720 0.908 0.673 0.853 0.529 CB 1.083 35 residues pruned to eliminate duplicates Z: 9 10.849 1.733 0.579 0.591 1.000 0.500 CB 1.285 9 residues pruned to eliminate duplicates Z: 36 22.414 1.831 0.591 0.622 0.829 0.429 CB 1.399 36 residues pruned to eliminate duplicates Z: 24 26.361 1.968 0.716 0.763 0.957 0.652 CB 1.348 24 residues pruned to eliminate duplicates Z: 30 26.810 1.862 0.752 0.701 0.897 0.655 CB 1.418 30 residues pruned to eliminate duplicates Z: 39 20.707 1.815 0.560 0.642 0.868 0.500 CB 1.195 39 residues pruned to eliminate duplicates Z: 29 23.817 1.903 0.659 0.681 0.893 0.536 CB 1.353 29 residues pruned to eliminate duplicates Z: 35 22.979 1.795 0.640 0.626 0.941 0.559 CB 1.262 35 residues pruned to eliminate duplicates Z: 54 37.963 1.926 0.805 0.766 0.906 0.604 CB 1.308 54 residues pruned to eliminate duplicates Z: 63 37.104 1.897 0.688 0.738 0.935 0.677 CB 1.270 63 residues pruned to eliminate duplicates Z: 23 25.010 1.916 0.687 0.748 0.909 0.455 CB 1.454 23 residues pruned to eliminate duplicates Z: 35 27.661 1.911 0.645 0.742 0.882 0.618 CB 1.377 35 residues pruned to eliminate duplicates Z: 65 35.172 1.870 0.617 0.725 0.938 0.609 CB 1.267 65 residues pruned to eliminate duplicates Z: 26 23.527 1.947 0.718 0.711 0.880 0.560 CB 1.321 26 residues pruned to eliminate duplicates Z: 39 26.538 1.859 0.699 0.712 0.947 0.553 CB 1.187 39 residues pruned to eliminate duplicates Z: 25 24.486 1.924 0.648 0.705 0.958 0.458 CB 1.366 25 residues pruned to eliminate duplicates Z: 25 24.843 1.938 0.688 0.729 0.917 0.583 CB 1.376 25 residues pruned to eliminate duplicates Z: 31 25.342 1.881 0.776 0.714 0.900 0.467 CB 1.268 31 residues pruned to eliminate duplicates Z: 30 23.652 1.913 0.611 0.748 0.931 0.552 CB 1.226 30 residues pruned to eliminate duplicates Z: 35 26.387 1.911 0.602 0.735 0.912 0.647 CB 1.313 35 residues pruned to eliminate duplicates Z: 30 28.275 1.904 0.750 0.695 0.897 0.552 CB 1.471 30 residues pruned to eliminate duplicates Z: 73 34.895 1.878 0.672 0.661 0.875 0.556 CB 1.289 73 residues pruned to eliminate duplicates Z: 35 28.060 1.883 0.664 0.742 1.000 0.647 CB 1.237 35 residues pruned to eliminate duplicates Z: 38 24.813 1.868 0.603 0.711 0.919 0.649 CB 1.223 38 residues pruned to eliminate duplicates Z: 37 28.801 1.891 0.709 0.725 0.944 0.528 CB 1.283 37 residues pruned to eliminate duplicates Z: 37 25.096 1.888 0.563 0.705 0.889 0.417 CB 1.323 37 residues pruned to eliminate duplicates Z: 37 26.323 1.891 0.753 0.716 0.917 0.500 CB 1.187 37 residues pruned to eliminate duplicates Z: 35 27.188 1.908 0.650 0.758 0.941 0.559 CB 1.251 35 residues pruned to eliminate duplicates Z: 10 9.950 1.609 0.822 0.687 1.000 0.556 CB 0.953 10 residues pruned to eliminate duplicates Z: 35 30.759 1.935 0.685 0.780 0.941 0.588 CB 1.342 35 residues pruned to eliminate duplicates Z: 68 39.491 1.877 0.697 0.769 0.955 0.627 CB 1.249 68 residues pruned to eliminate duplicates Z: 43 25.342 1.831 0.618 0.738 0.929 0.595 CB 1.148 43 residues pruned to eliminate duplicates Z: 39 21.102 1.801 0.466 0.729 0.868 0.553 CB 1.215 39 residues pruned to eliminate duplicates Z: 34 22.426 1.819 0.528 0.702 0.939 0.697 CB 1.244 34 residues pruned to eliminate duplicates Z: 46 22.449 1.810 0.388 0.723 0.911 0.556 CB 1.195 46 residues pruned to eliminate duplicates Z: 23 9.278 1.664 0.128 0.568 0.864 0.591 CB 1.143 23 residues pruned to eliminate duplicates Z: 41 23.252 1.757 0.574 0.722 0.925 0.450 CB 1.176 41 residues pruned to eliminate duplicates 8 1.858 1.379 0.249 0.538 0.857 0.429 CB 0.458 ? Z: 23 13.076 1.746 0.398 0.672 0.909 0.636 CB 1.072 23 residues pruned to eliminate duplicates Z: 102 39.829 1.895 0.559 0.662 0.921 0.624 CB 1.254 106 residues pruned to eliminate duplicates Z: 28 16.875 1.744 0.660 0.864 0.963 0.630 CB 0.854 28 residues pruned to eliminate duplicates Z: 21 12.417 1.750 0.356 0.640 0.850 0.550 CB 1.208 21 residues pruned to eliminate duplicates Z: 51 29.921 1.848 0.560 0.753 0.940 0.600 CB 1.246 51 residues pruned to eliminate duplicates Z: 19 14.718 1.811 0.291 0.706 0.944 0.500 CB 1.302 19 residues pruned to eliminate duplicates Z: 24 13.203 1.636 0.378 0.670 0.913 0.478 CB 1.144 24 residues pruned to eliminate duplicates Z: 23 14.122 1.750 0.384 0.666 0.909 0.591 CB 1.173 23 residues pruned to eliminate duplicates Z: 14 11.780 1.924 0.489 0.586 0.846 0.385 CB 1.240 14 residues pruned to eliminate duplicates Z: 47 26.921 1.918 0.480 0.744 0.913 0.522 CB 1.232 47 residues pruned to eliminate duplicates Z: 38 20.039 1.929 0.448 0.655 0.784 0.649 CB 1.303 38 residues pruned to eliminate duplicates Z: 18 13.128 1.791 0.551 0.613 0.824 0.471 CB 1.251 18 residues pruned to eliminate duplicates Z: 22 13.776 1.774 0.392 0.660 0.905 0.381 CB 1.160 22 residues pruned to eliminate duplicates Z: 14 12.313 1.887 0.487 0.596 0.923 0.385 CB 1.202 14 residues pruned to eliminate duplicates Z: 53 26.512 1.884 0.643 0.653 0.846 0.577 CB 1.218 53 residues pruned to eliminate duplicates Z: 27 12.052 1.714 0.490 0.548 0.846 0.269 CB 1.044 27 residues pruned to eliminate duplicates Z: 57 28.481 1.850 0.580 0.729 0.893 0.536 CB 1.187 57 residues pruned to eliminate duplicates Z: 48 23.775 1.938 0.333 0.708 0.915 0.596 CB 1.215 48 residues pruned to eliminate duplicates Z: 19 18.418 2.044 0.339 0.643 0.944 0.778 CB 1.469 19 residues pruned to eliminate duplicates Z: 72 41.072 1.967 0.574 0.776 0.944 0.718 CB 1.307 73 residues pruned to eliminate duplicates Z: 24 23.129 2.071 0.135 0.939 1.000 0.957 CB 1.426 24 residues pruned to eliminate duplicates Z: 35 18.938 1.952 0.362 0.650 0.882 0.618 CB 1.204 35 residues pruned to eliminate duplicates Z: 27 25.184 2.055 0.385 0.827 0.962 0.808 CB 1.360 27 residues pruned to eliminate duplicates Z: 52 39.580 2.044 0.570 0.798 0.961 0.804 CB 1.385 52 residues pruned to eliminate duplicates Z: 44 24.758 1.936 0.375 0.706 0.884 0.721 CB 1.331 44 residues pruned to eliminate duplicates Z: 24 26.294 2.096 0.424 0.781 1.000 0.826 CB 1.434 24 residues pruned to eliminate duplicates Z: 27 26.145 2.066 0.505 0.807 0.962 0.808 CB 1.312 27 residues pruned to eliminate duplicates Z: 27 25.931 2.053 0.361 0.811 0.962 0.846 CB 1.445 27 residues pruned to eliminate duplicates Z: 30 22.779 2.010 0.487 0.728 0.931 0.759 CB 1.238 30 residues pruned to eliminate duplicates Z: 43 18.769 1.827 0.530 0.613 0.833 0.643 CB 1.116 43 residues pruned to eliminate duplicates Z: 79 35.125 1.892 0.560 0.674 0.936 0.590 CB 1.227 79 residues pruned to eliminate duplicates Z: 41 21.313 1.882 0.515 0.634 0.875 0.450 CB 1.191 41 residues pruned to eliminate duplicates Z: 49 25.237 1.915 0.556 0.717 0.917 0.604 CB 1.096 49 residues pruned to eliminate duplicates Z: 56 39.475 2.053 0.586 0.814 0.927 0.836 CB 1.341 56 residues pruned to eliminate duplicates Z: 27 31.072 2.059 0.767 0.820 0.962 0.692 CB 1.319 27 residues pruned to eliminate duplicates Z: 51 27.266 1.862 0.600 0.720 0.920 0.640 CB 1.153 51 residues pruned to eliminate duplicates Z: 27 29.462 2.067 0.706 0.794 0.962 0.731 CB 1.316 27 residues pruned to eliminate duplicates Z: 28 33.582 2.050 0.839 0.768 1.000 0.704 CB 1.352 28 residues pruned to eliminate duplicates Z: 50 27.870 1.916 0.650 0.738 0.918 0.673 CB 1.107 50 residues pruned to eliminate duplicates Z: 105 48.872 1.923 0.715 0.714 0.923 0.587 CB 1.296 105 residues pruned to eliminate duplicates Z: 27 35.643 2.086 0.842 0.797 1.000 0.731 CB 1.403 27 residues pruned to eliminate duplicates Z: 27 31.063 2.079 0.671 0.856 0.962 0.885 CB 1.345 27 residues pruned to eliminate duplicates Z: 83 42.568 1.950 0.641 0.755 0.939 0.683 CB 1.246 79 residues pruned to eliminate duplicates Z: 25 33.034 2.119 0.804 0.860 0.958 0.750 CB 1.353 25 residues pruned to eliminate duplicates Z: 74 42.164 1.989 0.633 0.765 0.918 0.644 CB 1.308 74 residues pruned to eliminate duplicates Z: 30 27.343 2.028 0.504 0.832 0.966 0.862 CB 1.294 30 residues pruned to eliminate duplicates Z: 29 31.948 2.019 0.663 0.838 1.000 0.786 CB 1.344 28 residues pruned to eliminate duplicates Z: 24 27.816 2.032 0.491 0.892 1.000 0.957 CB 1.376 24 residues pruned to eliminate duplicates Z: 27 33.817 2.082 0.653 0.899 1.000 0.846 CB 1.378 27 residues pruned to eliminate duplicates Z: 29 33.643 2.017 0.753 0.833 0.964 0.750 CB 1.398 29 residues pruned to eliminate duplicates Z: 25 30.648 2.062 0.502 0.896 0.958 0.875 CB 1.510 25 residues pruned to eliminate duplicates Z: 31 29.787 1.994 0.688 0.810 0.933 0.767 CB 1.322 31 residues pruned to eliminate duplicates Z: 74 42.449 2.006 0.588 0.771 0.932 0.685 CB 1.317 74 residues pruned to eliminate duplicates Z: 28 29.257 1.990 0.529 0.875 0.963 0.889 CB 1.397 28 residues pruned to eliminate duplicates Z: 27 36.475 2.086 0.768 0.903 1.000 0.885 CB 1.382 27 residues pruned to eliminate duplicates Z: 25 36.919 2.063 0.820 0.907 1.000 0.917 CB 1.426 27 residues pruned to eliminate duplicates Z: 26 33.862 2.081 0.707 0.926 1.000 0.960 CB 1.336 26 residues pruned to eliminate duplicates Z: 28 32.234 1.996 0.711 0.880 0.963 0.852 CB 1.366 28 residues pruned to eliminate duplicates Z: 28 30.138 1.966 0.747 0.842 0.963 0.852 CB 1.307 28 residues pruned to eliminate duplicates Z: 30 32.328 2.003 0.792 0.857 0.931 0.828 CB 1.325 30 residues pruned to eliminate duplicates Z: 27 33.228 2.074 0.775 0.877 1.000 0.769 CB 1.286 27 residues pruned to eliminate duplicates Z: 28 34.690 2.041 0.888 0.861 1.000 0.741 CB 1.273 27 residues pruned to eliminate duplicates Z: 26 34.408 2.062 0.841 0.918 1.000 0.760 CB 1.278 26 residues pruned to eliminate duplicates Z: 25 38.051 2.084 1.031 0.898 1.000 0.708 CB 1.313 25 residues pruned to eliminate duplicates Z: 79 38.763 1.940 0.699 0.732 0.910 0.590 CB 1.187 79 residues pruned to eliminate duplicates Z: 53 44.605 2.040 1.002 0.800 0.942 0.558 CB 1.236 53 residues pruned to eliminate duplicates Z: 28 32.511 2.054 0.895 0.883 0.926 0.593 CB 1.256 28 residues pruned to eliminate duplicates Z: 25 40.215 2.102 1.071 0.885 1.000 0.792 CB 1.362 28 residues pruned to eliminate duplicates Z: 27 34.707 2.062 0.983 0.921 0.962 0.769 CB 1.219 24 residues pruned to eliminate duplicates Z: 27 32.327 2.017 0.857 0.929 1.000 0.846 CB 1.185 27 residues pruned to eliminate duplicates Z: 27 37.005 2.064 1.098 0.908 0.962 0.692 CB 1.237 27 residues pruned to eliminate duplicates Z: 70 45.011 2.008 0.851 0.784 0.928 0.638 CB 1.224 70 residues pruned to eliminate duplicates Z: 9 14.039 2.096 0.504 0.777 1.000 0.875 CB 1.232 9 residues pruned to eliminate duplicates Z: 42 27.484 1.955 0.551 0.693 0.951 0.732 CB 1.247 42 residues pruned to eliminate duplicates Z: 22 18.319 2.019 0.594 0.658 0.952 0.714 CB 1.127 22 residues pruned to eliminate duplicates Z: 22 17.008 1.973 0.483 0.694 0.952 0.714 CB 1.115 22 residues pruned to eliminate duplicates Z: 48 24.961 1.887 0.619 0.634 0.894 0.702 CB 1.177 48 residues pruned to eliminate duplicates Z: 20 10.245 1.849 0.364 0.480 0.947 0.632 CB 1.004 20 residues pruned to eliminate duplicates Z: 23 15.966 1.966 0.480 0.619 0.955 0.682 CB 1.095 23 residues pruned to eliminate duplicates Z: 28 17.910 1.930 0.389 0.544 0.963 0.630 CB 1.279 28 residues pruned to eliminate duplicates Z: 21 18.074 2.043 0.492 0.677 0.950 0.750 CB 1.186 21 residues pruned to eliminate duplicates Z: 20 19.732 2.078 0.485 0.701 1.000 0.947 CB 1.221 20 residues pruned to eliminate duplicates Z: 25 15.351 1.931 0.403 0.549 0.917 0.750 CB 1.203 25 residues pruned to eliminate duplicates Z: 23 14.820 1.988 0.438 0.579 0.955 0.682 CB 1.074 23 residues pruned to eliminate duplicates Z: 22 18.984 1.970 0.640 0.674 0.952 0.667 CB 1.147 22 residues pruned to eliminate duplicates Z: 22 15.059 1.988 0.350 0.645 0.952 0.714 CB 1.123 22 residues pruned to eliminate duplicates Z: 34 22.274 1.941 0.410 0.648 0.879 0.697 CB 1.403 34 residues pruned to eliminate duplicates Z: 20 19.198 2.054 0.412 0.672 1.000 0.789 CB 1.295 20 residues pruned to eliminate duplicates Z: 12 6.879 1.871 0.168 0.537 0.909 0.455 CB 1.007 12 residues pruned to eliminate duplicates Z: 33 16.965 1.891 0.403 0.532 0.906 0.625 CB 1.209 33 residues pruned to eliminate duplicates Z: 22 15.796 1.986 0.369 0.603 0.952 0.619 CB 1.207 22 residues pruned to eliminate duplicates Z: 47 23.353 1.863 0.402 0.604 0.935 0.630 CB 1.278 47 residues pruned to eliminate duplicates Z: 40 22.211 1.921 0.415 0.670 0.872 0.692 CB 1.282 40 residues pruned to eliminate duplicates Z: 43 29.751 1.958 0.508 0.712 0.952 0.762 CB 1.347 43 residues pruned to eliminate duplicates Z: 50 30.974 1.920 0.564 0.749 0.939 0.776 CB 1.257 50 residues pruned to eliminate duplicates Z: 30 23.669 2.020 0.602 0.647 0.931 0.759 CB 1.271 30 residues pruned to eliminate duplicates Z: 41 26.718 1.962 0.554 0.704 0.950 0.525 CB 1.210 41 residues pruned to eliminate duplicates Z: 23 23.790 1.871 0.772 0.751 0.864 0.591 CB 1.416 23 residues pruned to eliminate duplicates Z: 29 27.895 1.863 0.683 0.813 0.929 0.714 CB 1.378 29 residues pruned to eliminate duplicates Z: 28 20.029 1.845 0.791 0.659 0.852 0.667 CB 1.182 28 residues pruned to eliminate duplicates Z: 47 27.570 1.905 0.590 0.732 0.935 0.739 CB 1.165 47 residues pruned to eliminate duplicates Z: 23 25.792 1.825 0.672 0.821 0.955 0.773 CB 1.430 23 residues pruned to eliminate duplicates Z: 50 30.006 1.902 0.672 0.747 0.898 0.694 CB 1.204 50 residues pruned to eliminate duplicates Z: 44 27.850 1.929 0.631 0.677 0.930 0.698 CB 1.232 44 residues pruned to eliminate duplicates Z: 83 40.027 1.905 0.662 0.756 0.939 0.732 CB 1.184 83 residues pruned to eliminate duplicates Z: 28 32.151 1.883 0.954 0.868 0.926 0.815 CB 1.327 28 residues pruned to eliminate duplicates Z: 65 32.046 1.894 0.619 0.667 0.906 0.641 CB 1.235 65 residues pruned to eliminate duplicates Z: 29 35.676 1.889 0.933 0.839 0.964 0.643 CB 1.429 29 residues pruned to eliminate duplicates Z: 32 23.994 1.802 0.655 0.775 0.903 0.677 CB 1.255 32 residues pruned to eliminate duplicates Z: 32 26.213 1.836 0.772 0.728 0.903 0.548 CB 1.304 32 residues pruned to eliminate duplicates Z: 50 29.247 1.898 0.651 0.714 0.918 0.612 CB 1.196 50 residues pruned to eliminate duplicates Z: 48 26.805 1.873 0.590 0.711 0.851 0.617 CB 1.273 48 residues pruned to eliminate duplicates Z: 24 26.541 1.870 0.795 0.828 0.913 0.522 CB 1.361 24 residues pruned to eliminate duplicates Z: 33 18.899 1.743 0.526 0.643 0.844 0.625 CB 1.303 33 residues pruned to eliminate duplicates Z: 18 17.138 1.694 0.544 0.723 1.000 0.529 CB 1.300 18 residues pruned to eliminate duplicates Z: 9 6.599 1.609 0.141 0.756 0.875 0.625 CA 1.156 9 residues pruned to eliminate duplicates Z: 61 38.278 1.897 0.647 0.786 0.917 0.600 CB 1.341 61 residues pruned to eliminate duplicates Z: 81 42.877 1.925 0.525 0.759 0.975 0.738 CB 1.330 81 residues pruned to eliminate duplicates Z: 29 35.503 1.849 0.866 0.871 1.000 0.786 CB 1.418 29 residues pruned to eliminate duplicates Z: 24 18.804 1.828 0.312 0.728 0.913 0.739 CB 1.458 24 residues pruned to eliminate duplicates Z: 34 28.049 1.917 0.556 0.743 0.970 0.818 CB 1.358 34 residues pruned to eliminate duplicates Z: 32 26.166 1.818 0.641 0.796 0.935 0.710 CB 1.300 32 residues pruned to eliminate duplicates Z: 20 19.246 1.971 0.517 0.665 0.842 0.737 CB 1.505 20 residues pruned to eliminate duplicates Z: 38 24.481 1.883 0.477 0.678 0.919 0.757 CB 1.337 38 residues pruned to eliminate duplicates Z: 35 27.365 1.911 0.577 0.736 0.912 0.676 CB 1.382 35 residues pruned to eliminate duplicates Z: 36 27.239 1.910 0.601 0.714 0.971 0.800 CB 1.277 36 residues pruned to eliminate duplicates Z: 34 27.174 1.864 0.541 0.771 0.909 0.818 CB 1.426 34 residues pruned to eliminate duplicates Z: 27 27.313 1.919 0.704 0.730 0.962 0.654 CB 1.385 27 residues pruned to eliminate duplicates Z: 18 26.259 1.990 0.643 0.888 1.000 0.882 CB 1.403 18 residues pruned to eliminate duplicates Z: 34 25.153 1.924 0.558 0.710 0.909 0.667 CB 1.328 34 residues pruned to eliminate duplicates Z: 32 28.301 1.939 0.496 0.784 1.000 0.903 CB 1.365 32 residues pruned to eliminate duplicates Z: 36 25.664 1.895 0.613 0.720 0.886 0.771 CB 1.314 36 residues pruned to eliminate duplicates Z: 57 32.872 1.836 0.784 0.703 0.857 0.571 CB 1.301 57 residues pruned to eliminate duplicates Z: 51 35.481 1.882 0.696 0.781 0.900 0.780 CB 1.363 50 residues pruned to eliminate duplicates Z: 22 19.708 1.784 0.462 0.853 0.952 0.810 CB 1.279 22 residues pruned to eliminate duplicates Z: 79 34.208 1.852 0.575 0.691 0.885 0.641 CB 1.261 79 residues pruned to eliminate duplicates Z: 33 27.195 1.942 0.544 0.751 0.969 0.688 CB 1.323 33 residues pruned to eliminate duplicates Z: 32 28.122 1.932 0.562 0.787 0.968 0.774 CB 1.344 32 residues pruned to eliminate duplicates Z: 32 29.363 1.917 0.753 0.755 0.968 0.774 CB 1.292 32 residues pruned to eliminate duplicates Z: 31 28.753 1.939 0.781 0.755 0.967 0.633 CB 1.253 31 residues pruned to eliminate duplicates Z: 36 29.280 1.908 0.760 0.762 0.943 0.714 CB 1.239 36 residues pruned to eliminate duplicates Z: 12 17.733 1.907 0.787 0.722 0.909 0.545 CB 1.412 12 residues pruned to eliminate duplicates Z: 34 23.947 1.845 0.650 0.623 0.970 0.515 CB 1.257 34 residues pruned to eliminate duplicates Z: 34 25.752 1.884 0.626 0.749 0.909 0.667 CB 1.289 34 residues pruned to eliminate duplicates Z: 35 28.782 1.900 0.756 0.736 0.912 0.676 CB 1.313 35 residues pruned to eliminate duplicates Z: 36 30.158 1.898 0.698 0.699 0.943 0.657 CB 1.400 36 residues pruned to eliminate duplicates Z: 33 27.121 1.937 0.552 0.752 0.969 0.781 CB 1.316 33 residues pruned to eliminate duplicates Z: 34 26.308 1.902 0.523 0.740 0.909 0.788 CB 1.403 34 residues pruned to eliminate duplicates Z: 41 24.742 1.830 0.625 0.682 0.900 0.650 CB 1.237 41 residues pruned to eliminate duplicates Z: 35 26.694 1.900 0.592 0.717 0.912 0.618 CB 1.364 35 residues pruned to eliminate duplicates Z: 17 15.303 1.806 0.491 0.674 0.938 0.688 CB 1.291 17 residues pruned to eliminate duplicates Z: 13 16.214 1.869 0.470 0.747 1.000 1.000 CB 1.365 14 residues pruned to eliminate duplicates Z: 15 17.077 1.753 0.670 0.733 1.000 0.786 CB 1.264 15 residues pruned to eliminate duplicates Z: 10 15.943 1.766 0.746 0.702 1.000 0.889 CB 1.434 10 residues pruned to eliminate duplicates Z: 17 12.784 1.695 0.558 0.627 0.875 0.562 CB 1.227 15 residues pruned to eliminate duplicates Z: 10 15.614 1.734 0.677 0.894 1.000 0.778 CB 1.284 10 residues pruned to eliminate duplicates Z: 17 10.462 1.736 0.598 0.445 0.812 0.562 CB 1.228 17 residues pruned to eliminate duplicates Z: 27 13.575 1.848 0.588 0.507 0.769 0.462 CB 1.171 44 residues pruned to eliminate duplicates Z: 72 27.445 1.805 0.698 0.630 0.817 0.535 CB 1.151 72 residues pruned to eliminate duplicates Z: 13 15.755 1.849 0.670 0.685 0.917 0.833 CB 1.355 375 residues left after pruning, divided into chains as follows: A: 17 B: 85 C: 157 D: 103 E: 13 CC for partial structure against native data = 47.09 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.447, Connect. = 0.698 for dens.mod. cycle 1 = 0.300, Contrast = 0.514, Connect. = 0.727 for dens.mod. cycle 2 = 0.300, Contrast = 0.619, Connect. = 0.754 for dens.mod. cycle 3 = 0.300, Contrast = 0.632, Connect. = 0.753 for dens.mod. cycle 4 = 0.300, Contrast = 0.644, Connect. = 0.754 for dens.mod. cycle 5 = 0.300, Contrast = 0.649, Connect. = 0.755 for dens.mod. cycle 6 = 0.300, Contrast = 0.655, Connect. = 0.756 for dens.mod. cycle 7 = 0.300, Contrast = 0.657, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.660, Connect. = 0.757 for dens.mod. cycle 9 = 0.300, Contrast = 0.661, Connect. = 0.757 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1275 peaks > 0.5 sigma used to seed fragment search Space for about 536 unique residues taking solvent into account 371 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 24 29.429 2.055 0.399 0.937 1.000 1.000 CB 1.486 B: 16 28.424 2.049 0.608 0.921 1.000 0.933 CB 1.568 C: 23 33.552 2.158 0.725 0.921 0.955 0.864 CB 1.417 23 residues pruned to eliminate duplicates D: 25 35.230 2.074 0.731 0.894 0.958 0.708 CB 1.500 E: 16 27.220 2.156 0.635 0.919 1.000 0.867 CB 1.405 F: 24 26.815 1.985 0.533 0.890 1.000 0.870 CB 1.322 24 residues pruned to eliminate duplicates G: 25 28.494 2.020 0.541 0.887 1.000 0.917 CB 1.347 25 residues pruned to eliminate duplicates H: 16 22.916 2.089 0.365 0.940 1.000 0.867 CB 1.441 16 residues pruned to eliminate duplicates I: 25 35.204 2.039 0.659 0.897 0.958 0.875 CB 1.586 25 residues pruned to eliminate duplicates J: 24 34.051 2.136 0.503 0.937 0.957 0.739 CB 1.609 24 residues pruned to eliminate duplicates K: 23 38.694 2.191 0.690 0.936 0.955 0.818 CB 1.626 23 residues pruned to eliminate duplicates L: 17 17.420 1.827 0.259 0.890 1.000 0.812 CA 1.362 M: 24 38.227 2.175 0.608 0.947 0.957 0.870 CB 1.646 25 residues pruned to eliminate duplicates N: 23 33.910 2.173 0.498 0.925 1.000 0.955 CB 1.559 23 residues pruned to eliminate duplicates O: 22 28.889 1.877 0.755 0.936 1.000 0.905 CB 1.333 17 residues pruned to eliminate duplicates P: 28 28.251 1.831 0.627 0.887 1.000 0.704 CB 1.316 Q: 23 28.089 2.117 0.483 0.930 1.000 0.909 CB 1.334 23 residues pruned to eliminate duplicates R: 19 25.135 1.919 0.734 0.903 1.000 0.944 CB 1.268 S: 29 29.369 1.951 0.584 0.911 1.000 0.964 CB 1.273 T: 25 32.851 2.105 0.579 0.884 0.958 0.917 CB 1.520 25 residues pruned to eliminate duplicates U: 16 27.396 2.040 0.777 0.887 1.000 0.733 CB 1.407 16 residues pruned to eliminate duplicates V: 26 28.932 2.027 0.559 0.882 0.960 0.760 CB 1.380 29 residues pruned to eliminate duplicates W: 15 26.395 2.183 0.868 0.905 0.857 0.786 CB 1.436 15 residues pruned to eliminate duplicates X: 24 21.918 1.891 0.733 0.817 0.870 0.522 CB 1.218 Y: 25 27.944 2.024 0.360 0.889 1.000 0.875 CB 1.492 24 residues pruned to eliminate duplicates Z: 15 17.949 1.832 0.762 0.701 0.857 0.643 CB 1.443 14 residues pruned to eliminate duplicates Z: 27 37.906 1.882 0.966 0.914 1.000 0.769 CB 1.422 28 residues pruned to eliminate duplicates Z: 13 20.407 1.982 0.547 0.802 0.917 0.500 CB 1.610 13 residues pruned to eliminate duplicates Z: 25 18.417 1.741 0.520 0.856 0.958 0.792 CB 1.094 Z: 26 38.793 2.085 0.931 0.881 0.920 0.840 CB 1.517 26 residues pruned to eliminate duplicates Z: 17 24.684 2.078 0.512 0.906 1.000 0.812 CB 1.397 17 residues pruned to eliminate duplicates Z: 25 37.079 2.115 0.813 0.894 0.958 0.750 CB 1.478 25 residues pruned to eliminate duplicates Z: 18 25.781 1.966 0.583 0.902 1.000 0.824 CB 1.433 17 residues pruned to eliminate duplicates Z: 26 31.473 2.042 0.615 0.917 1.000 0.920 CB 1.347 25 residues pruned to eliminate duplicates Z: 31 29.073 1.873 0.717 0.870 0.967 0.700 CB 1.247 19 residues pruned to eliminate duplicates Z: 15 22.914 1.912 0.475 0.927 1.000 1.000 CB 1.521 15 residues pruned to eliminate duplicates Z: 16 17.192 1.864 0.308 0.927 1.000 0.933 CA 1.277 16 residues pruned to eliminate duplicates Z: 23 40.341 2.175 0.852 0.940 0.955 0.727 CB 1.553 24 residues pruned to eliminate duplicates Z: 23 33.931 2.138 0.694 0.930 0.955 0.864 CB 1.464 23 residues pruned to eliminate duplicates Z: 16 26.362 2.055 0.597 0.907 1.000 0.867 CB 1.474 16 residues pruned to eliminate duplicates Z: 26 36.241 2.074 0.820 0.912 0.920 0.760 CB 1.478 24 residues pruned to eliminate duplicates Z: 19 23.540 1.864 0.686 0.870 1.000 0.722 CB 1.289 19 residues pruned to eliminate duplicates Z: 27 32.914 2.028 0.834 0.894 0.962 0.731 CB 1.295 27 residues pruned to eliminate duplicates Z: 16 29.115 2.028 1.022 0.907 1.000 0.667 CB 1.303 16 residues pruned to eliminate duplicates Z: 16 32.409 2.149 0.974 0.914 1.000 0.867 CB 1.394 16 residues pruned to eliminate duplicates Z: 19 29.652 1.913 0.919 0.941 1.000 0.611 CB 1.321 19 residues pruned to eliminate duplicates Z: 20 21.418 1.957 0.421 0.893 0.947 0.895 CB 1.339 20 residues pruned to eliminate duplicates Z: 25 28.335 1.828 0.619 0.856 0.958 0.958 CB 1.504 17 residues pruned to eliminate duplicates Z: 25 30.662 1.910 0.631 0.912 1.000 0.792 CB 1.424 Z: 23 34.405 2.161 0.690 0.921 1.000 0.818 CB 1.413 23 residues pruned to eliminate duplicates Z: 28 28.813 1.883 0.584 0.906 0.963 0.889 CB 1.374 28 residues pruned to eliminate duplicates Z: 25 27.836 1.883 0.516 0.897 1.000 0.750 CB 1.424 25 residues pruned to eliminate duplicates Z: 24 17.057 1.724 0.442 0.864 1.000 0.609 CB 1.049 24 residues pruned to eliminate duplicates Z: 20 25.520 1.954 0.498 0.886 0.947 0.947 CB 1.523 20 residues pruned to eliminate duplicates Z: 27 26.767 1.776 0.635 0.862 0.962 0.615 CB 1.380 27 residues pruned to eliminate duplicates Z: 26 31.422 2.068 0.687 0.896 0.960 0.800 CB 1.344 26 residues pruned to eliminate duplicates Z: 19 20.088 1.847 0.802 0.876 0.944 0.500 CB 1.095 12 residues pruned to eliminate duplicates Z: 24 37.359 2.090 0.655 0.934 0.957 0.826 CB 1.641 24 residues pruned to eliminate duplicates Z: 15 28.017 2.106 0.865 0.933 1.000 0.714 CB 1.331 15 residues pruned to eliminate duplicates Z: 25 41.458 2.115 0.972 0.915 0.958 0.792 CB 1.496 25 residues pruned to eliminate duplicates Z: 24 40.248 2.163 0.759 0.934 0.957 0.870 CB 1.608 24 residues pruned to eliminate duplicates Z: 12 23.069 2.198 0.390 0.927 1.000 1.000 CB 1.596 12 residues pruned to eliminate duplicates Z: 25 35.189 2.087 0.626 0.897 0.958 0.750 CB 1.581 25 residues pruned to eliminate duplicates Z: 17 28.888 2.059 0.723 0.855 1.000 0.750 CB 1.503 17 residues pruned to eliminate duplicates Z: 7 8.513 1.858 0.344 0.750 0.833 0.500 CB 1.336 7 residues pruned to eliminate duplicates Z: 16 32.743 2.178 0.713 0.923 1.000 0.933 CB 1.593 16 residues pruned to eliminate duplicates Z: 10 12.389 1.883 0.368 0.764 0.889 0.889 CA 1.426 10 residues pruned to eliminate duplicates Z: 20 27.924 1.901 0.556 0.914 1.000 0.842 CB 1.531 20 residues pruned to eliminate duplicates Z: 28 19.723 1.884 0.337 0.848 0.926 0.815 CB 1.207 28 residues pruned to eliminate duplicates Z: 15 23.585 1.939 0.488 0.933 1.000 1.000 CA 1.524 15 residues pruned to eliminate duplicates Z: 18 25.836 1.982 0.618 0.907 1.000 0.941 CB 1.388 18 residues pruned to eliminate duplicates Z: 23 34.624 2.130 0.813 0.905 1.000 0.636 CB 1.360 23 residues pruned to eliminate duplicates Z: 25 29.883 1.891 0.701 0.902 0.958 0.708 CB 1.411 25 residues pruned to eliminate duplicates Z: 25 30.098 1.890 0.690 0.882 1.000 0.833 CB 1.392 25 residues pruned to eliminate duplicates Z: 20 25.501 1.944 0.476 0.910 0.947 0.895 CA 1.526 21 residues pruned to eliminate duplicates Z: 7 11.548 2.058 0.626 0.910 1.000 1.000 CB 0.999 Z: 25 33.285 2.085 0.650 0.887 1.000 0.875 CB 1.424 25 residues pruned to eliminate duplicates Z: 25 31.118 1.902 0.647 0.869 1.000 0.833 CB 1.481 25 residues pruned to eliminate duplicates Z: 29 30.508 1.933 0.599 0.905 0.964 0.857 CB 1.377 29 residues pruned to eliminate duplicates Z: 16 21.552 2.040 0.657 0.884 0.867 0.800 CB 1.373 16 residues pruned to eliminate duplicates Z: 19 22.194 1.894 0.743 0.900 0.944 0.833 CB 1.198 19 residues pruned to eliminate duplicates Z: 25 28.601 2.031 0.580 0.850 0.958 0.833 CB 1.406 25 residues pruned to eliminate duplicates Z: 24 26.874 1.990 0.549 0.871 1.000 0.826 CB 1.325 24 residues pruned to eliminate duplicates Z: 24 23.980 1.860 0.931 0.866 0.957 0.696 CB 1.065 23 residues pruned to eliminate duplicates Z: 16 30.869 2.161 0.969 0.908 1.000 0.667 CB 1.331 16 residues pruned to eliminate duplicates Z: 23 26.923 2.061 0.607 0.888 1.000 0.818 CB 1.248 23 residues pruned to eliminate duplicates Z: 28 33.461 2.024 0.674 0.898 1.000 0.852 CB 1.359 27 residues pruned to eliminate duplicates Z: 17 26.396 2.006 0.443 0.904 1.000 0.875 CB 1.625 17 residues pruned to eliminate duplicates Z: 25 31.504 1.907 0.737 0.903 1.000 0.792 CB 1.384 25 residues pruned to eliminate duplicates Z: 15 14.967 1.783 0.330 0.844 0.929 0.714 CB 1.351 15 residues pruned to eliminate duplicates Z: 26 26.392 2.014 0.394 0.921 1.000 0.960 CB 1.322 26 residues pruned to eliminate duplicates Z: 18 24.298 1.927 0.536 0.901 1.000 0.824 CB 1.421 18 residues pruned to eliminate duplicates Z: 28 29.615 1.851 0.615 0.906 0.963 0.815 CB 1.409 28 residues pruned to eliminate duplicates Z: 19 29.638 1.962 0.749 0.925 1.000 0.889 CB 1.429 19 residues pruned to eliminate duplicates Z: 17 15.704 1.751 0.538 0.820 1.000 0.562 CB 1.104 Z: 20 26.926 1.900 0.627 0.890 0.947 0.895 CB 1.517 21 residues pruned to eliminate duplicates Z: 28 33.828 2.005 0.815 0.932 0.963 0.815 CB 1.297 28 residues pruned to eliminate duplicates Z: 25 29.420 1.862 0.710 0.869 1.000 0.625 CB 1.377 25 residues pruned to eliminate duplicates Z: 10 15.214 1.939 0.385 0.790 0.889 0.556 O 1.647 10 residues pruned to eliminate duplicates Z: 20 23.549 1.922 0.562 0.877 0.947 0.842 CB 1.379 20 residues pruned to eliminate duplicates Z: 9 15.753 1.824 0.570 0.832 1.000 0.875 CB 1.461 Z: 27 33.343 2.037 0.627 0.888 1.000 0.923 CB 1.422 27 residues pruned to eliminate duplicates Z: 18 28.734 1.939 0.833 0.907 0.941 0.824 CB 1.481 19 residues pruned to eliminate duplicates Z: 27 30.832 2.035 0.492 0.896 1.000 0.885 CB 1.427 27 residues pruned to eliminate duplicates Z: 16 17.096 1.780 0.580 0.703 0.933 0.467 CB 1.398 15 residues pruned to eliminate duplicates Z: 20 28.984 1.923 0.485 0.926 1.000 0.895 CB 1.634 20 residues pruned to eliminate duplicates Z: 27 31.243 2.053 0.518 0.899 1.000 0.923 CB 1.406 27 residues pruned to eliminate duplicates Z: 24 33.299 2.147 0.442 0.929 1.000 0.957 CB 1.571 24 residues pruned to eliminate duplicates Z: 17 26.602 2.073 0.779 0.871 0.938 0.688 CB 1.403 17 residues pruned to eliminate duplicates Z: 24 28.355 1.857 0.496 0.889 1.000 0.957 CB 1.532 24 residues pruned to eliminate duplicates Z: 16 27.343 2.079 0.511 0.908 1.000 0.867 CB 1.596 16 residues pruned to eliminate duplicates Z: 9 5.769 1.963 -0.226 0.906 1.000 1.000 CB 0.954 9 residues pruned to eliminate duplicates Z: 26 25.474 2.060 0.383 0.862 1.000 0.800 CB 1.312 26 residues pruned to eliminate duplicates Z: 27 23.976 1.812 0.514 0.877 1.000 0.769 CB 1.245 27 residues pruned to eliminate duplicates Z: 26 32.142 2.017 0.725 0.901 1.000 0.720 CB 1.319 26 residues pruned to eliminate duplicates Z: 30 30.044 1.895 0.571 0.895 0.966 0.897 CB 1.391 30 residues pruned to eliminate duplicates Z: 29 36.647 1.855 0.905 0.892 0.964 0.786 CB 1.459 28 residues pruned to eliminate duplicates Z: 19 14.191 1.705 0.533 0.871 1.000 0.722 CB 0.934 17 residues pruned to eliminate duplicates Z: 28 28.994 1.882 0.730 0.836 1.000 0.741 CB 1.283 28 residues pruned to eliminate duplicates Z: 25 28.235 1.887 0.479 0.895 1.000 0.917 CB 1.480 25 residues pruned to eliminate duplicates Z: 27 32.453 2.008 0.614 0.889 1.000 0.885 CB 1.414 27 residues pruned to eliminate duplicates Z: 9 15.342 1.992 0.264 0.838 1.000 0.875 CA 1.610 9 residues pruned to eliminate duplicates Z: 16 22.269 2.047 0.301 0.899 1.000 1.000 CB 1.544 16 residues pruned to eliminate duplicates Z: 17 28.845 2.070 0.667 0.899 1.000 0.750 CA 1.494 17 residues pruned to eliminate duplicates Z: 25 42.994 2.101 0.969 0.898 1.000 0.625 CB 1.517 26 residues pruned to eliminate duplicates Z: 23 47.063 2.221 1.082 0.937 0.955 0.636 CB 1.583 24 residues pruned to eliminate duplicates Z: 27 33.553 2.013 0.709 0.917 0.962 0.846 CB 1.404 27 residues pruned to eliminate duplicates Z: 27 23.655 1.903 0.620 0.830 0.923 0.808 CB 1.225 27 residues pruned to eliminate duplicates Z: 16 22.092 1.946 0.807 0.878 0.800 0.533 CB 1.471 16 residues pruned to eliminate duplicates Z: 27 17.880 1.695 0.598 0.909 0.962 0.731 CB 0.956 19 residues pruned to eliminate duplicates Z: 29 22.721 1.840 0.388 0.874 1.000 0.786 CB 1.224 29 residues pruned to eliminate duplicates Z: 24 18.699 1.742 0.528 0.834 1.000 0.739 CB 1.099 25 residues pruned to eliminate duplicates Z: 10 18.064 1.982 0.332 0.846 1.000 0.778 N 1.696 10 residues pruned to eliminate duplicates Z: 10 10.403 1.701 0.191 0.779 1.000 0.667 CA 1.338 9 residues pruned to eliminate duplicates Z: 24 35.735 2.122 0.580 0.922 1.000 0.913 CB 1.563 24 residues pruned to eliminate duplicates Z: 20 21.593 1.874 0.959 0.877 0.947 0.789 CB 1.035 20 residues pruned to eliminate duplicates Z: 25 28.966 2.029 0.906 0.833 0.958 0.458 CB 1.197 25 residues pruned to eliminate duplicates Z: 10 11.471 1.699 0.268 0.850 1.000 0.778 CA 1.315 10 residues pruned to eliminate duplicates Z: 9 15.698 1.992 0.366 0.855 1.000 0.750 CB 1.505 9 residues pruned to eliminate duplicates Z: 26 28.685 2.065 0.404 0.913 1.000 0.760 CB 1.401 26 residues pruned to eliminate duplicates Z: 26 25.378 1.852 0.437 0.898 1.000 0.960 CB 1.364 26 residues pruned to eliminate duplicates Z: 27 26.202 1.750 0.659 0.901 1.000 0.769 CB 1.264 27 residues pruned to eliminate duplicates Z: 23 29.816 2.001 0.696 0.861 0.955 0.682 CB 1.441 23 residues pruned to eliminate duplicates Z: 17 25.732 2.054 0.647 0.920 0.938 0.750 CA 1.428 17 residues pruned to eliminate duplicates Z: 16 28.072 2.026 0.664 0.922 1.000 0.800 CB 1.513 16 residues pruned to eliminate duplicates Z: 26 35.871 2.045 0.800 0.890 0.960 0.680 CB 1.461 26 residues pruned to eliminate duplicates Z: 29 25.153 1.784 0.342 0.912 1.000 0.857 CA 1.407 29 residues pruned to eliminate duplicates Z: 10 3.199 1.502 0.108 0.367 0.667 0.667 CB 1.108 Z: 11 13.633 1.542 0.677 0.894 1.000 1.000 CA 1.196 Z: 17 20.906 1.830 0.596 0.893 0.938 0.750 CA 1.370 17 residues pruned to eliminate duplicates Z: 26 32.001 2.057 0.569 0.916 1.000 1.000 CB 1.400 26 residues pruned to eliminate duplicates Z: 23 30.737 2.072 0.518 0.926 1.000 0.909 CB 1.461 23 residues pruned to eliminate duplicates Z: 9 13.518 1.945 0.378 0.778 0.875 0.625 CB 1.595 9 residues pruned to eliminate duplicates Z: 25 27.355 2.030 0.596 0.843 0.958 0.875 CB 1.339 25 residues pruned to eliminate duplicates Z: 23 31.506 2.140 0.549 0.922 1.000 0.955 CB 1.425 23 residues pruned to eliminate duplicates Z: 7 8.117 1.679 0.382 0.833 1.000 0.667 CB 1.071 Z: 7 7.273 1.615 0.381 0.852 1.000 1.000 CB 0.984 7 residues pruned to eliminate duplicates Z: 25 40.565 2.113 0.947 0.911 0.958 0.625 CB 1.488 24 residues pruned to eliminate duplicates Z: 29 28.593 1.866 0.817 0.851 0.893 0.607 CB 1.322 30 residues pruned to eliminate duplicates Z: 25 43.600 2.112 1.088 0.917 0.958 0.667 CB 1.486 25 residues pruned to eliminate duplicates Z: 28 14.435 1.697 0.318 0.868 0.963 0.815 CB 0.943 28 residues pruned to eliminate duplicates Z: 12 22.402 2.062 0.853 0.862 1.000 0.727 CB 1.298 12 residues pruned to eliminate duplicates Z: 26 30.648 2.000 0.679 0.875 1.000 0.680 CB 1.328 23 residues pruned to eliminate duplicates Z: 24 28.608 2.094 0.648 0.911 0.913 0.783 CB 1.342 24 residues pruned to eliminate duplicates Z: 26 29.959 1.875 0.737 0.873 0.960 0.800 CB 1.397 26 residues pruned to eliminate duplicates Z: 6 7.070 1.883 0.256 0.549 1.000 0.800 CB 1.274 Z: 24 16.669 1.737 0.508 0.839 1.000 0.696 CB 0.991 24 residues pruned to eliminate duplicates Z: 24 36.037 2.071 0.744 0.900 1.000 0.783 CB 1.486 24 residues pruned to eliminate duplicates Z: 7 7.532 1.571 0.779 0.635 0.833 0.500 CB 1.163 Z: 19 25.642 2.004 0.551 0.881 1.000 0.889 CB 1.408 19 residues pruned to eliminate duplicates Z: 20 23.088 1.882 0.901 0.836 0.947 0.474 CB 1.170 20 residues pruned to eliminate duplicates Z: 20 33.476 1.996 0.856 0.907 1.000 0.684 CB 1.474 20 residues pruned to eliminate duplicates Z: 17 11.444 1.972 0.201 0.657 1.000 0.688 CB 1.045 14 residues pruned to eliminate duplicates Z: 27 15.932 1.647 0.386 0.878 0.962 0.846 CB 1.033 27 residues pruned to eliminate duplicates Z: 16 11.269 1.641 0.619 0.800 0.867 0.667 CB 0.972 16 residues pruned to eliminate duplicates Z: 13 14.892 1.817 0.647 0.873 1.000 0.750 CB 1.047 13 residues pruned to eliminate duplicates Z: 18 12.761 1.706 0.322 0.904 1.000 0.882 CB 0.977 18 residues pruned to eliminate duplicates Z: 8 4.400 1.634 0.062 0.484 0.857 0.429 CB 1.137 Z: 23 18.899 1.819 0.833 0.806 0.955 0.455 CB 0.969 23 residues pruned to eliminate duplicates Z: 16 11.796 1.650 0.500 0.796 0.867 0.733 CB 1.095 16 residues pruned to eliminate duplicates Z: 9 8.692 1.605 0.793 0.909 1.000 0.625 CB 0.758 9 residues pruned to eliminate duplicates Z: 24 29.460 2.103 0.852 0.886 0.913 0.609 CB 1.247 24 residues pruned to eliminate duplicates Z: 8 12.165 1.810 0.621 0.895 1.000 0.857 CB 1.123 8 residues pruned to eliminate duplicates Z: 17 19.921 1.808 0.995 0.807 0.812 0.375 CB 1.300 17 residues pruned to eliminate duplicates Z: 25 18.197 1.726 0.741 0.746 0.875 0.667 CB 1.134 25 residues pruned to eliminate duplicates Z: 25 25.671 1.879 0.530 0.896 0.917 0.708 CB 1.424 25 residues pruned to eliminate duplicates Z: 10 11.720 1.833 0.626 0.879 1.000 0.667 CB 0.951 10 residues pruned to eliminate duplicates Z: 24 35.780 2.088 0.887 0.895 1.000 0.870 CB 1.357 27 residues pruned to eliminate duplicates Z: 18 18.730 1.861 0.958 0.847 0.882 0.412 CB 1.049 18 residues pruned to eliminate duplicates Z: 24 23.315 1.819 0.746 0.850 1.000 0.739 CB 1.133 23 residues pruned to eliminate duplicates Z: 12 15.897 1.777 0.588 0.846 1.000 0.636 CB 1.262 12 residues pruned to eliminate duplicates Z: 23 36.690 2.115 0.903 0.913 1.000 0.682 CB 1.375 23 residues pruned to eliminate duplicates Z: 11 13.238 1.783 0.477 0.903 1.000 1.000 CB 1.133 11 residues pruned to eliminate duplicates Z: 27 17.524 1.694 0.464 0.875 0.962 0.654 CB 1.048 27 residues pruned to eliminate duplicates Z: 19 27.006 1.890 0.590 0.919 1.000 0.944 CB 1.493 19 residues pruned to eliminate duplicates Z: 20 23.472 1.821 0.415 0.917 1.000 0.895 CA 1.474 20 residues pruned to eliminate duplicates Z: 23 27.748 1.870 0.971 0.924 0.955 0.727 CB 1.181 23 residues pruned to eliminate duplicates Z: 28 32.439 1.871 0.784 0.848 1.000 0.630 CB 1.387 28 residues pruned to eliminate duplicates Z: 26 30.220 2.032 0.768 0.874 0.960 0.520 CB 1.276 26 residues pruned to eliminate duplicates Z: 26 12.871 1.698 0.527 0.777 0.880 0.480 CB 0.883 26 residues pruned to eliminate duplicates Z: 19 25.467 1.954 0.763 0.940 0.944 0.722 CB 1.281 19 residues pruned to eliminate duplicates Z: 11 9.557 1.560 0.422 0.864 0.900 0.900 O 1.110 11 residues pruned to eliminate duplicates Z: 9 16.277 1.778 0.689 0.878 1.000 0.750 CB 1.391 10 residues pruned to eliminate duplicates Z: 25 14.558 1.652 0.446 0.815 1.000 0.750 CB 0.946 25 residues pruned to eliminate duplicates Z: 25 42.258 2.136 0.831 0.937 0.958 0.792 CB 1.602 25 residues pruned to eliminate duplicates Z: 19 31.528 1.948 0.758 0.910 1.000 0.778 CB 1.538 19 residues pruned to eliminate duplicates Z: 14 6.122 1.661 0.270 0.332 0.923 0.615 CB 1.048 14 residues pruned to eliminate duplicates Z: 29 26.387 1.825 0.308 0.906 1.000 0.893 CA 1.486 29 residues pruned to eliminate duplicates Z: 12 13.002 1.595 0.579 0.813 0.909 0.818 CB 1.303 12 residues pruned to eliminate duplicates Z: 27 29.530 2.033 0.567 0.889 1.000 0.769 CB 1.308 27 residues pruned to eliminate duplicates Z: 8 8.396 1.608 0.470 0.763 0.857 0.714 CA 1.241 8 residues pruned to eliminate duplicates Z: 30 26.917 1.947 0.533 0.790 0.966 0.759 CB 1.345 30 residues pruned to eliminate duplicates Z: 13 20.326 1.919 0.610 0.854 0.917 0.667 CA 1.530 13 residues pruned to eliminate duplicates Z: 9 14.897 1.750 0.626 0.865 1.000 0.750 CB 1.356 9 residues pruned to eliminate duplicates Z: 26 18.071 1.723 0.488 0.854 1.000 0.760 CB 1.041 26 residues pruned to eliminate duplicates Z: 26 39.954 2.062 0.869 0.897 0.960 0.800 CB 1.546 26 residues pruned to eliminate duplicates Z: 31 31.494 1.886 0.786 0.901 1.000 0.833 CB 1.219 31 residues pruned to eliminate duplicates Z: 27 35.143 1.887 0.854 0.915 1.000 0.731 CB 1.393 27 residues pruned to eliminate duplicates Z: 21 23.566 1.845 0.370 0.893 1.000 0.800 CA 1.497 21 residues pruned to eliminate duplicates Z: 7 7.367 1.685 0.269 0.752 0.833 0.500 CA 1.348 7 residues pruned to eliminate duplicates Z: 15 11.290 1.926 0.532 0.613 0.929 0.786 CB 0.990 15 residues pruned to eliminate duplicates Z: 15 15.808 1.817 0.585 0.720 0.857 0.714 CA 1.402 15 residues pruned to eliminate duplicates Z: 10 10.065 1.712 0.189 0.872 1.000 0.889 CA 1.201 10 residues pruned to eliminate duplicates Z: 8 7.839 1.647 0.457 0.865 1.000 0.714 CB 0.905 8 residues pruned to eliminate duplicates Z: 10 9.798 1.686 0.200 0.865 1.000 0.889 CA 1.183 10 residues pruned to eliminate duplicates Z: 14 15.838 1.746 0.551 0.738 1.000 0.615 CB 1.310 12 residues pruned to eliminate duplicates Z: 16 28.538 2.025 0.880 0.903 1.000 0.600 CB 1.379 16 residues pruned to eliminate duplicates Z: 28 32.263 1.946 0.779 0.885 0.963 0.519 CB 1.345 28 residues pruned to eliminate duplicates Z: 25 28.292 1.867 0.511 0.897 1.000 0.958 CB 1.464 25 residues pruned to eliminate duplicates Z: 10 10.727 1.729 0.181 0.890 1.000 1.000 CA 1.259 10 residues pruned to eliminate duplicates Z: 26 35.297 2.171 0.614 0.866 1.000 0.960 CB 1.475 26 residues pruned to eliminate duplicates Z: 10 12.968 1.682 0.710 0.814 0.889 0.778 CB 1.287 10 residues pruned to eliminate duplicates Z: 22 34.184 2.131 0.808 0.949 0.952 0.905 CB 1.403 22 residues pruned to eliminate duplicates Z: 20 16.767 1.711 0.498 0.900 1.000 0.737 CB 1.072 20 residues pruned to eliminate duplicates Z: 28 16.614 1.691 0.232 0.908 0.963 0.741 CB 1.132 28 residues pruned to eliminate duplicates Z: 12 17.572 1.898 0.939 0.861 0.909 0.636 CB 1.163 11 residues pruned to eliminate duplicates Z: 26 19.823 1.764 0.690 0.587 0.880 0.560 CB 1.390 24 residues pruned to eliminate duplicates Z: 25 28.298 1.902 0.608 0.869 0.917 0.708 CB 1.505 25 residues pruned to eliminate duplicates Z: 10 13.403 1.817 0.651 0.895 0.889 0.889 CB 1.201 10 residues pruned to eliminate duplicates Z: 12 7.971 1.547 0.135 0.678 1.000 0.727 CA 1.162 12 residues pruned to eliminate duplicates Z: 24 31.807 2.132 0.518 0.888 1.000 0.957 CB 1.476 24 residues pruned to eliminate duplicates Z: 16 18.164 1.957 0.594 0.873 0.933 0.800 CB 1.173 16 residues pruned to eliminate duplicates Z: 27 15.229 1.692 0.290 0.874 1.000 0.808 CB 0.996 27 residues pruned to eliminate duplicates Z: 24 24.141 1.987 0.175 0.940 1.000 0.913 CA 1.497 24 residues pruned to eliminate duplicates Z: 6 2.646 1.419 0.221 0.471 0.800 0.200 CB 0.879 Z: 21 20.054 1.703 0.650 0.904 1.000 0.650 CB 1.137 24 residues pruned to eliminate duplicates Z: 6 3.841 1.433 0.513 0.492 0.800 0.400 N 0.999 Z: 6 9.589 1.736 0.336 0.847 1.000 0.800 N 1.373 7 residues pruned to eliminate duplicates Z: 10 8.382 1.579 0.657 0.868 0.889 0.778 CB 0.878 10 residues pruned to eliminate duplicates Z: 16 19.960 1.978 0.223 0.893 1.000 0.733 CB 1.529 16 residues pruned to eliminate duplicates Z: 8 6.139 1.539 0.393 0.636 1.000 0.286 CB 0.952 Z: 26 28.702 2.038 0.519 0.891 1.000 0.840 CB 1.333 26 residues pruned to eliminate duplicates Z: 15 8.000 1.630 0.546 0.720 0.857 0.429 CB 0.812 19 residues pruned to eliminate duplicates Z: 19 29.614 1.949 0.924 0.901 1.000 0.500 CB 1.329 19 residues pruned to eliminate duplicates Z: 6 2.340 1.498 0.261 0.298 0.600 0.400 O 1.156 Z: 6 4.389 1.705 0.353 0.628 1.000 0.800 CB 0.754 Z: 22 19.471 1.929 0.352 0.709 0.905 0.762 CB 1.489 22 residues pruned to eliminate duplicates Z: 10 14.436 1.677 0.568 0.896 1.000 1.000 CB 1.311 9 residues pruned to eliminate duplicates Z: 12 2.394 1.260 0.028 0.254 0.818 0.455 CB 0.904 Z: 23 21.600 1.844 0.588 0.875 1.000 0.864 CB 1.143 23 residues pruned to eliminate duplicates Z: 19 22.765 1.915 0.602 0.892 1.000 0.833 CB 1.257 19 residues pruned to eliminate duplicates Z: 17 25.870 2.096 0.490 0.935 0.938 0.875 CA 1.540 17 residues pruned to eliminate duplicates Z: 19 26.718 1.933 0.684 0.893 0.944 0.667 CB 1.471 19 residues pruned to eliminate duplicates Z: 29 26.370 1.809 0.687 0.856 0.964 0.679 CB 1.248 29 residues pruned to eliminate duplicates Z: 9 16.540 1.862 0.638 0.908 1.000 1.000 CB 1.362 9 residues pruned to eliminate duplicates Z: 26 29.821 1.805 0.870 0.900 1.000 0.600 CB 1.263 26 residues pruned to eliminate duplicates Z: 22 23.420 2.002 0.998 0.874 0.857 0.429 CB 1.085 22 residues pruned to eliminate duplicates Z: 27 30.295 2.019 0.532 0.897 1.000 0.923 CB 1.375 27 residues pruned to eliminate duplicates Z: 24 31.044 2.116 0.895 0.873 0.957 0.739 CB 1.229 24 residues pruned to eliminate duplicates Z: 6 3.260 1.595 0.101 0.586 1.000 0.800 CB 0.765 Z: 10 17.107 1.964 0.529 0.813 1.000 0.889 CB 1.446 9 residues pruned to eliminate duplicates Z: 19 29.678 1.868 1.101 0.934 1.000 0.722 CB 1.243 19 residues pruned to eliminate duplicates Z: 11 9.351 1.696 0.680 0.805 0.800 0.600 CB 0.994 11 residues pruned to eliminate duplicates Z: 13 9.719 1.827 0.341 0.519 0.833 0.583 CB 1.348 13 residues pruned to eliminate duplicates Z: 22 22.539 1.842 0.734 0.836 1.000 0.762 CB 1.153 22 residues pruned to eliminate duplicates Z: 27 30.185 1.828 0.889 0.882 0.923 0.500 CB 1.343 27 residues pruned to eliminate duplicates Z: 20 27.441 1.890 0.722 0.893 1.000 0.737 CB 1.388 20 residues pruned to eliminate duplicates Z: 21 24.617 1.915 0.428 0.950 1.000 0.900 CA 1.388 21 residues pruned to eliminate duplicates Z: 31 23.542 1.759 0.384 0.876 0.967 0.800 CB 1.327 31 residues pruned to eliminate duplicates 6 0.926 1.443 0.240 0.486 0.800 0.800 CB 0.293 ? Z: 20 19.625 1.861 0.736 0.852 0.947 0.632 CB 1.088 20 residues pruned to eliminate duplicates Z: 9 6.557 1.546 0.395 0.731 1.000 0.750 CB 0.873 9 residues pruned to eliminate duplicates Z: 27 26.286 1.803 0.647 0.863 0.923 0.615 CB 1.380 27 residues pruned to eliminate duplicates Z: 15 13.744 1.718 0.504 0.838 0.929 0.786 CB 1.144 15 residues pruned to eliminate duplicates Z: 13 12.029 1.833 0.319 0.878 0.917 0.917 CB 1.137 13 residues pruned to eliminate duplicates Z: 22 23.949 1.860 0.941 0.850 0.905 0.667 CB 1.185 22 residues pruned to eliminate duplicates Z: 10 3.884 1.442 0.450 0.306 0.889 0.444 CB 0.864 Z: 9 16.777 2.104 0.476 0.797 1.000 0.500 CB 1.473 9 residues pruned to eliminate duplicates Z: 40 25.889 1.819 0.578 0.680 0.949 0.667 CB 1.290 40 residues pruned to eliminate duplicates Z: 29 15.832 1.677 0.427 0.829 0.964 0.714 CB 0.976 29 residues pruned to eliminate duplicates Z: 27 26.157 1.868 0.725 0.931 0.962 0.808 CB 1.157 27 residues pruned to eliminate duplicates Z: 25 27.816 1.858 0.549 0.877 1.000 0.792 CB 1.433 25 residues pruned to eliminate duplicates Z: 7 7.440 1.821 0.113 0.587 1.000 0.333 CB 1.378 7 residues pruned to eliminate duplicates 6 1.988 1.270 0.610 0.451 0.600 0.400 N 0.762 ? Z: 45 35.724 1.981 0.615 0.767 0.977 0.795 CB 1.360 39 residues pruned to eliminate duplicates Z: 6 3.054 1.298 0.551 0.389 1.000 0.400 CB 0.763 Using tripeptides from previous cycle as seeds Z: 21 20.654 1.867 0.535 0.815 0.950 0.850 CB 1.290 21 residues pruned to eliminate duplicates Z: 16 23.960 2.013 0.422 0.893 1.000 0.933 CB 1.551 16 residues pruned to eliminate duplicates Z: 19 17.319 1.941 0.321 0.762 0.944 0.722 CB 1.336 19 residues pruned to eliminate duplicates Z: 17 29.800 2.056 0.684 0.867 1.000 0.812 CB 1.575 17 residues pruned to eliminate duplicates Z: 17 24.877 2.015 0.734 0.817 0.938 0.812 CB 1.442 17 residues pruned to eliminate duplicates Z: 16 26.961 2.091 0.602 0.867 1.000 0.867 CB 1.520 16 residues pruned to eliminate duplicates Z: 16 28.308 2.090 0.677 0.875 1.000 0.933 CB 1.517 16 residues pruned to eliminate duplicates Z: 16 31.265 2.099 0.899 0.877 1.000 0.867 CB 1.470 16 residues pruned to eliminate duplicates Z: 17 28.101 1.998 0.847 0.826 1.000 0.812 CB 1.435 17 residues pruned to eliminate duplicates Z: 17 26.181 2.002 0.911 0.826 0.938 0.812 CB 1.376 17 residues pruned to eliminate duplicates Z: 16 31.797 2.073 0.819 0.926 1.000 0.933 CB 1.527 16 residues pruned to eliminate duplicates Z: 17 26.067 2.001 0.732 0.847 0.938 0.938 CB 1.489 17 residues pruned to eliminate duplicates Z: 16 32.247 2.103 0.848 0.877 1.000 0.933 CB 1.556 16 residues pruned to eliminate duplicates Z: 16 33.076 2.118 0.845 0.860 1.000 0.867 CB 1.608 16 residues pruned to eliminate duplicates Z: 17 23.903 1.982 0.701 0.774 0.938 0.750 CB 1.484 17 residues pruned to eliminate duplicates Z: 9 4.556 1.567 0.171 0.472 0.875 0.125 CB 1.032 7 residues pruned to eliminate duplicates Z: 9 4.473 1.353 0.095 0.556 0.875 0.500 N 1.154 9 residues pruned to eliminate duplicates Z: 11 4.760 1.524 0.099 0.470 0.900 0.200 N 1.030 11 residues pruned to eliminate duplicates Z: 14 5.482 1.449 0.418 0.556 0.846 0.538 CB 0.828 14 residues pruned to eliminate duplicates Z: 13 4.049 1.515 0.300 0.470 0.667 0.333 CB 0.917 13 residues pruned to eliminate duplicates Z: 15 7.264 1.635 0.421 0.621 0.857 0.500 CB 0.870 15 residues pruned to eliminate duplicates Z: 17 6.426 1.540 0.544 0.449 0.812 0.438 CB 0.877 17 residues pruned to eliminate duplicates Z: 15 4.710 1.574 0.569 0.450 0.857 0.429 CB 0.626 15 residues pruned to eliminate duplicates Z: 11 6.492 1.555 0.544 0.724 0.700 0.500 CB 0.998 11 residues pruned to eliminate duplicates Z: 26 14.361 1.731 0.410 0.638 0.840 0.560 CB 1.231 26 residues pruned to eliminate duplicates Z: 48 23.709 1.877 0.290 0.753 0.957 0.766 CB 1.190 48 residues pruned to eliminate duplicates Z: 55 29.972 1.926 0.485 0.723 0.889 0.704 CB 1.313 55 residues pruned to eliminate duplicates Z: 51 35.228 1.981 0.564 0.772 0.940 0.720 CB 1.345 51 residues pruned to eliminate duplicates Z: 53 35.174 1.947 0.527 0.756 0.962 0.692 CB 1.359 53 residues pruned to eliminate duplicates Z: 44 25.579 1.905 0.352 0.718 0.977 0.698 CB 1.273 44 residues pruned to eliminate duplicates Z: 19 17.101 1.789 0.562 0.769 1.000 0.833 CB 1.137 19 residues pruned to eliminate duplicates Z: 30 14.744 1.734 0.343 0.659 0.931 0.621 CB 1.089 30 residues pruned to eliminate duplicates Z: 25 15.873 1.747 0.477 0.715 0.958 0.667 CB 1.078 25 residues pruned to eliminate duplicates Z: 18 14.589 1.751 0.566 0.772 0.941 0.706 CB 1.078 18 residues pruned to eliminate duplicates Z: 15 20.613 1.868 0.688 0.805 1.000 0.857 CB 1.339 15 residues pruned to eliminate duplicates Z: 23 16.038 1.711 0.507 0.670 0.909 0.591 CB 1.247 23 residues pruned to eliminate duplicates Z: 17 17.991 1.794 0.577 0.769 1.000 0.750 CB 1.252 17 residues pruned to eliminate duplicates Z: 21 15.705 1.769 0.528 0.748 0.850 0.600 CB 1.225 21 residues pruned to eliminate duplicates Z: 17 16.493 1.801 0.435 0.722 1.000 0.750 CB 1.306 17 residues pruned to eliminate duplicates Z: 37 21.251 1.853 0.410 0.683 0.889 0.611 CB 1.289 37 residues pruned to eliminate duplicates Z: 44 35.254 2.037 0.598 0.767 0.930 0.767 CB 1.400 44 residues pruned to eliminate duplicates Z: 64 28.362 1.803 0.588 0.643 0.905 0.619 CB 1.206 74 residues pruned to eliminate duplicates 6 1.795 1.545 0.159 0.119 0.600 0.400 CA 1.206 ? Z: 26 32.380 2.149 0.466 0.827 0.960 0.800 CB 1.613 26 residues pruned to eliminate duplicates Z: 50 36.044 1.981 0.636 0.783 0.939 0.694 CB 1.319 50 residues pruned to eliminate duplicates Z: 33 27.650 2.060 0.514 0.749 0.906 0.656 CB 1.385 33 residues pruned to eliminate duplicates Z: 33 31.876 2.055 0.648 0.757 0.938 0.719 CB 1.412 33 residues pruned to eliminate duplicates Z: 32 26.429 2.095 0.514 0.756 0.903 0.710 CB 1.320 32 residues pruned to eliminate duplicates Z: 34 28.258 2.032 0.714 0.734 0.879 0.697 CB 1.302 34 residues pruned to eliminate duplicates Z: 29 34.518 2.132 0.788 0.792 0.929 0.786 CB 1.426 29 residues pruned to eliminate duplicates Z: 30 35.733 2.107 0.674 0.819 0.966 0.655 CB 1.478 30 residues pruned to eliminate duplicates Z: 53 32.664 1.931 0.669 0.714 0.942 0.750 CB 1.228 53 residues pruned to eliminate duplicates Z: 47 34.927 1.973 0.672 0.739 0.913 0.717 CB 1.381 47 residues pruned to eliminate duplicates Z: 42 26.137 1.924 0.471 0.663 0.902 0.683 CB 1.374 42 residues pruned to eliminate duplicates Z: 43 30.930 1.976 0.750 0.722 0.881 0.619 CB 1.281 43 residues pruned to eliminate duplicates Z: 27 39.064 2.169 0.731 0.804 0.962 0.654 CB 1.627 27 residues pruned to eliminate duplicates Z: 53 33.225 1.939 0.679 0.689 0.904 0.615 CB 1.317 53 residues pruned to eliminate duplicates Z: 47 35.496 1.991 0.704 0.721 0.935 0.652 CB 1.352 47 residues pruned to eliminate duplicates Z: 45 38.298 2.028 0.766 0.759 0.909 0.773 CB 1.409 45 residues pruned to eliminate duplicates Z: 37 28.420 2.033 0.678 0.696 0.861 0.667 CB 1.347 37 residues pruned to eliminate duplicates Z: 47 39.187 2.009 0.914 0.751 0.913 0.652 CB 1.316 47 residues pruned to eliminate duplicates Z: 32 36.626 2.023 0.986 0.768 0.903 0.613 CB 1.430 32 residues pruned to eliminate duplicates Z: 54 35.893 1.961 0.660 0.699 0.925 0.698 CB 1.367 54 residues pruned to eliminate duplicates Z: 25 44.797 2.121 1.023 0.915 0.958 0.792 CB 1.572 25 residues pruned to eliminate duplicates Z: 45 36.801 1.998 0.848 0.775 0.932 0.591 CB 1.265 45 residues pruned to eliminate duplicates Z: 54 35.571 1.955 0.722 0.746 0.943 0.642 CB 1.234 54 residues pruned to eliminate duplicates Z: 49 34.782 2.001 0.688 0.750 0.938 0.729 CB 1.269 49 residues pruned to eliminate duplicates Z: 50 36.211 1.964 0.804 0.732 0.959 0.633 CB 1.235 50 residues pruned to eliminate duplicates Z: 51 33.958 1.964 0.683 0.717 0.900 0.660 CB 1.326 51 residues pruned to eliminate duplicates Z: 25 28.024 1.890 0.624 0.857 0.958 0.875 CB 1.433 25 residues pruned to eliminate duplicates Z: 24 29.439 1.872 0.590 0.865 1.000 0.826 CB 1.511 24 residues pruned to eliminate duplicates Z: 25 27.176 1.915 0.538 0.857 0.958 0.833 CB 1.448 25 residues pruned to eliminate duplicates Z: 25 29.846 1.922 0.545 0.876 1.000 0.833 CB 1.491 25 residues pruned to eliminate duplicates Z: 9 8.758 1.692 0.363 0.746 0.875 0.875 CB 1.231 9 residues pruned to eliminate duplicates Z: 26 27.592 1.903 0.491 0.843 0.960 0.880 CB 1.508 26 residues pruned to eliminate duplicates Z: 25 26.168 1.889 0.443 0.865 1.000 0.917 CB 1.436 25 residues pruned to eliminate duplicates Z: 57 40.810 1.981 0.631 0.777 0.929 0.679 CB 1.424 55 residues pruned to eliminate duplicates Z: 11 16.439 1.802 0.551 0.834 0.900 0.900 CB 1.548 11 residues pruned to eliminate duplicates Z: 24 29.231 1.906 0.582 0.879 1.000 0.957 CB 1.466 24 residues pruned to eliminate duplicates Z: 24 29.377 1.901 0.487 0.875 1.000 0.783 CA 1.575 24 residues pruned to eliminate duplicates Z: 20 32.382 1.977 0.710 0.896 1.000 0.895 CB 1.574 20 residues pruned to eliminate duplicates Z: 24 35.065 1.960 0.739 0.899 1.000 0.913 CB 1.533 24 residues pruned to eliminate duplicates Z: 20 28.974 1.933 0.624 0.907 1.000 0.947 CB 1.505 20 residues pruned to eliminate duplicates Z: 25 31.196 1.926 0.620 0.895 1.000 0.792 CB 1.464 25 residues pruned to eliminate duplicates Z: 25 32.416 1.938 0.713 0.892 0.958 0.792 CB 1.494 25 residues pruned to eliminate duplicates Z: 21 28.062 1.907 0.791 0.790 0.950 0.450 CB 1.499 21 residues pruned to eliminate duplicates Z: 58 41.295 1.991 0.719 0.757 0.912 0.649 CB 1.394 58 residues pruned to eliminate duplicates Z: 19 34.802 1.984 0.966 0.900 1.000 0.389 CB 1.502 19 residues pruned to eliminate duplicates Z: 25 34.396 1.894 0.802 0.877 1.000 0.750 CB 1.494 25 residues pruned to eliminate duplicates Z: 54 49.354 2.002 0.795 0.812 0.962 0.755 CB 1.494 54 residues pruned to eliminate duplicates Z: 26 31.022 1.828 0.908 0.879 0.960 0.680 CB 1.343 26 residues pruned to eliminate duplicates Z: 28 24.394 1.810 0.779 0.799 0.889 0.519 CB 1.263 28 residues pruned to eliminate duplicates Z: 14 28.659 1.925 1.144 0.858 0.923 0.462 CB 1.537 14 residues pruned to eliminate duplicates Z: 7 8.534 1.703 0.330 0.790 1.000 0.500 CA 1.193 7 residues pruned to eliminate duplicates Z: 7 11.204 1.715 0.619 0.823 1.000 0.500 CB 1.245 6 residues pruned to eliminate duplicates Z: 8 9.505 1.649 0.623 0.796 1.000 0.571 CB 1.036 8 residues pruned to eliminate duplicates Z: 7 9.391 1.740 0.419 0.812 1.000 0.667 CB 1.183 7 residues pruned to eliminate duplicates Z: 28 20.924 1.823 0.608 0.662 0.926 0.593 CB 1.277 28 residues pruned to eliminate duplicates Z: 9 10.062 1.762 0.282 0.624 1.000 0.750 CB 1.400 8 residues pruned to eliminate duplicates Z: 10 11.928 1.820 0.206 0.686 1.000 0.556 CA 1.528 10 residues pruned to eliminate duplicates Z: 27 21.624 1.739 0.599 0.678 0.962 0.692 CB 1.346 27 residues pruned to eliminate duplicates Z: 17 14.006 1.845 0.379 0.479 1.000 0.562 CA 1.406 17 residues pruned to eliminate duplicates Z: 16 14.561 1.892 0.458 0.510 0.933 0.800 CB 1.445 16 residues pruned to eliminate duplicates Z: 15 15.383 1.976 0.442 0.511 0.929 0.786 CA 1.538 15 residues pruned to eliminate duplicates Z: 23 21.131 1.854 0.527 0.672 0.909 0.773 CA 1.494 23 residues pruned to eliminate duplicates Z: 22 24.666 1.885 0.680 0.701 1.000 0.714 CB 1.415 23 residues pruned to eliminate duplicates Z: 30 24.767 1.842 0.414 0.890 1.000 0.862 CB 1.270 30 residues pruned to eliminate duplicates Z: 23 26.406 1.922 0.700 0.723 1.000 0.864 CB 1.409 23 residues pruned to eliminate duplicates Z: 30 25.460 1.848 0.656 0.691 0.966 0.655 CB 1.344 30 residues pruned to eliminate duplicates Z: 31 14.941 1.727 0.506 0.624 0.767 0.433 CB 1.217 31 residues pruned to eliminate duplicates Z: 15 16.271 1.883 0.583 0.802 0.857 0.571 CB 1.307 15 residues pruned to eliminate duplicates Z: 13 12.691 1.820 0.606 0.653 0.833 0.667 CB 1.303 13 residues pruned to eliminate duplicates Z: 28 21.185 1.914 0.521 0.751 0.926 0.630 CB 1.209 28 residues pruned to eliminate duplicates Z: 39 36.567 1.955 0.753 0.789 0.974 0.711 CB 1.379 38 residues pruned to eliminate duplicates Z: 20 19.907 1.751 0.730 0.864 1.000 0.737 CB 1.105 20 residues pruned to eliminate duplicates Z: 17 21.342 1.921 0.730 0.873 1.000 0.750 CB 1.170 17 residues pruned to eliminate duplicates Z: 53 40.156 1.937 0.681 0.803 0.962 0.692 CB 1.365 53 residues pruned to eliminate duplicates Z: 27 20.028 1.858 0.719 0.706 0.885 0.538 CB 1.153 27 residues pruned to eliminate duplicates Z: 72 35.328 1.857 0.546 0.705 0.915 0.676 CB 1.324 72 residues pruned to eliminate duplicates Z: 35 34.747 1.945 0.780 0.780 0.971 0.647 CB 1.385 35 residues pruned to eliminate duplicates Z: 22 22.962 1.935 0.735 0.838 0.952 0.667 CB 1.171 22 residues pruned to eliminate duplicates Z: 24 20.685 1.866 0.647 0.755 0.957 0.696 CB 1.169 24 residues pruned to eliminate duplicates Z: 24 21.521 1.862 0.705 0.759 1.000 0.609 CB 1.123 24 residues pruned to eliminate duplicates Z: 43 30.008 1.855 0.672 0.728 0.952 0.643 CB 1.277 43 residues pruned to eliminate duplicates Z: 23 20.342 1.819 0.935 0.683 0.864 0.636 CB 1.206 23 residues pruned to eliminate duplicates Z: 23 23.667 1.902 0.757 0.794 0.955 0.864 CB 1.222 23 residues pruned to eliminate duplicates Z: 24 23.845 1.875 0.850 0.817 0.957 0.696 CB 1.138 24 residues pruned to eliminate duplicates Z: 52 36.495 1.888 0.724 0.730 0.922 0.667 CB 1.385 52 residues pruned to eliminate duplicates Z: 54 32.632 1.873 0.595 0.705 0.925 0.642 CB 1.347 54 residues pruned to eliminate duplicates Z: 62 34.779 1.865 0.628 0.740 0.869 0.557 CB 1.361 62 residues pruned to eliminate duplicates Z: 38 34.294 1.947 0.693 0.816 0.973 0.595 CB 1.336 38 residues pruned to eliminate duplicates Z: 52 39.620 1.941 0.589 0.819 0.961 0.804 CB 1.419 52 residues pruned to eliminate duplicates Z: 53 38.946 1.948 0.573 0.780 0.962 0.788 CB 1.432 53 residues pruned to eliminate duplicates Z: 67 27.781 1.790 0.390 0.622 0.909 0.576 CB 1.348 67 residues pruned to eliminate duplicates Z: 45 30.669 1.900 0.565 0.732 0.886 0.773 CB 1.423 45 residues pruned to eliminate duplicates Z: 69 44.381 1.925 0.646 0.778 0.956 0.721 CB 1.390 69 residues pruned to eliminate duplicates Z: 52 33.730 1.932 0.548 0.723 0.902 0.745 CB 1.432 52 residues pruned to eliminate duplicates Z: 34 24.003 1.837 0.498 0.706 0.909 0.727 CB 1.385 34 residues pruned to eliminate duplicates Z: 21 18.215 1.820 0.525 0.656 0.950 0.750 CB 1.336 21 residues pruned to eliminate duplicates Z: 38 33.926 1.947 0.672 0.835 0.946 0.784 CB 1.356 38 residues pruned to eliminate duplicates Z: 69 36.085 1.896 0.593 0.734 0.897 0.647 CB 1.308 69 residues pruned to eliminate duplicates Z: 57 35.610 1.889 0.545 0.754 0.946 0.696 CB 1.374 57 residues pruned to eliminate duplicates Z: 54 36.495 1.925 0.641 0.739 0.943 0.736 CB 1.358 54 residues pruned to eliminate duplicates Z: 55 34.428 1.887 0.661 0.760 0.889 0.611 CB 1.334 55 residues pruned to eliminate duplicates Z: 51 38.160 1.875 0.657 0.755 0.920 0.680 CB 1.505 51 residues pruned to eliminate duplicates Z: 23 23.136 1.908 0.456 0.735 0.955 0.682 CB 1.506 23 residues pruned to eliminate duplicates Z: 51 32.558 1.892 0.654 0.756 0.880 0.740 CB 1.332 51 residues pruned to eliminate duplicates Z: 23 25.442 1.938 0.598 0.716 0.955 0.727 CB 1.509 23 residues pruned to eliminate duplicates Z: 62 35.803 1.858 0.636 0.718 0.902 0.656 CB 1.373 62 residues pruned to eliminate duplicates Z: 28 21.790 1.884 0.413 0.682 0.889 0.667 CB 1.499 28 residues pruned to eliminate duplicates Z: 51 34.646 1.886 0.685 0.730 0.940 0.640 CB 1.334 51 residues pruned to eliminate duplicates Z: 23 25.044 1.929 0.682 0.780 0.864 0.727 CB 1.489 23 residues pruned to eliminate duplicates Z: 42 33.749 1.918 0.695 0.756 0.878 0.610 CB 1.470 42 residues pruned to eliminate duplicates Z: 28 24.372 1.880 0.703 0.697 0.889 0.593 CB 1.376 28 residues pruned to eliminate duplicates Z: 28 23.605 1.872 0.588 0.727 0.852 0.593 CB 1.461 29 residues pruned to eliminate duplicates Z: 17 18.321 1.753 0.854 0.753 0.875 0.688 CB 1.286 17 residues pruned to eliminate duplicates Z: 36 22.689 1.875 0.591 0.680 0.886 0.600 CB 1.230 36 residues pruned to eliminate duplicates Z: 45 34.108 1.888 0.735 0.757 0.909 0.727 CB 1.374 45 residues pruned to eliminate duplicates Z: 35 23.432 1.856 0.597 0.739 0.853 0.588 CB 1.283 35 residues pruned to eliminate duplicates Z: 34 27.156 1.836 0.627 0.676 0.939 0.636 CB 1.432 34 residues pruned to eliminate duplicates Z: 28 26.471 1.911 0.649 0.706 0.963 0.704 CB 1.392 28 residues pruned to eliminate duplicates Z: 35 30.170 1.867 0.666 0.756 0.971 0.588 CB 1.365 35 residues pruned to eliminate duplicates Z: 35 22.238 1.741 0.477 0.630 0.971 0.559 CB 1.352 35 residues pruned to eliminate duplicates Z: 30 26.786 1.840 0.638 0.693 0.966 0.552 CB 1.433 30 residues pruned to eliminate duplicates Z: 84 40.901 1.837 0.636 0.746 0.940 0.602 CB 1.275 84 residues pruned to eliminate duplicates Z: 41 26.310 1.808 0.571 0.695 0.925 0.600 CB 1.325 41 residues pruned to eliminate duplicates Z: 37 27.346 1.839 0.680 0.735 0.889 0.667 CB 1.343 37 residues pruned to eliminate duplicates Z: 53 28.509 1.850 0.536 0.689 0.923 0.558 CB 1.267 53 residues pruned to eliminate duplicates Z: 36 27.522 1.860 0.665 0.714 0.943 0.457 CB 1.313 36 residues pruned to eliminate duplicates Z: 36 30.301 1.864 0.803 0.750 0.914 0.600 CB 1.333 36 residues pruned to eliminate duplicates Z: 9 10.218 1.735 0.851 0.534 0.750 0.375 N 1.451 9 residues pruned to eliminate duplicates Z: 33 21.396 1.788 0.543 0.656 0.938 0.625 CB 1.265 33 residues pruned to eliminate duplicates Z: 12 6.716 1.532 0.638 0.378 0.727 0.545 N 1.264 12 residues pruned to eliminate duplicates Z: 55 28.964 1.840 0.446 0.699 0.926 0.648 CB 1.335 55 residues pruned to eliminate duplicates Z: 23 15.170 1.765 0.456 0.683 0.909 0.773 CB 1.170 23 residues pruned to eliminate duplicates Z: 61 26.655 1.792 0.490 0.657 0.883 0.550 CB 1.262 61 residues pruned to eliminate duplicates Z: 50 27.503 1.950 0.417 0.685 0.939 0.653 CB 1.278 54 residues pruned to eliminate duplicates Z: 26 15.994 1.737 0.474 0.791 0.920 0.680 CB 1.052 26 residues pruned to eliminate duplicates Z: 21 12.126 1.807 0.293 0.659 0.850 0.400 CB 1.179 21 residues pruned to eliminate duplicates Z: 54 28.083 1.853 0.590 0.728 0.906 0.623 CB 1.177 54 residues pruned to eliminate duplicates Z: 48 23.414 1.909 0.436 0.628 0.894 0.596 CB 1.235 48 residues pruned to eliminate duplicates Z: 27 11.764 1.741 0.405 0.585 0.808 0.462 CB 1.075 27 residues pruned to eliminate duplicates Z: 17 15.036 1.783 0.477 0.790 0.875 0.750 CB 1.264 17 residues pruned to eliminate duplicates Z: 42 24.553 1.811 0.569 0.636 0.878 0.659 CB 1.352 42 residues pruned to eliminate duplicates Z: 20 13.141 1.750 0.391 0.734 0.947 0.526 CB 1.060 20 residues pruned to eliminate duplicates Z: 22 12.993 1.848 0.298 0.661 0.857 0.429 CB 1.187 22 residues pruned to eliminate duplicates Z: 56 29.224 1.832 0.539 0.689 0.945 0.582 CB 1.243 56 residues pruned to eliminate duplicates Z: 55 29.767 1.928 0.529 0.741 0.889 0.667 CB 1.246 55 residues pruned to eliminate duplicates Z: 21 11.874 1.796 0.249 0.593 0.950 0.500 CB 1.140 21 residues pruned to eliminate duplicates Z: 78 38.744 1.944 0.533 0.716 0.935 0.688 CB 1.304 77 residues pruned to eliminate duplicates Z: 25 29.416 2.067 0.602 0.864 1.000 0.833 CB 1.330 25 residues pruned to eliminate duplicates Z: 27 28.952 2.042 0.515 0.795 1.000 0.769 CB 1.417 27 residues pruned to eliminate duplicates Z: 56 27.948 1.924 0.586 0.646 0.855 0.636 CB 1.261 56 residues pruned to eliminate duplicates Z: 49 25.075 1.913 0.482 0.669 0.875 0.604 CB 1.248 49 residues pruned to eliminate duplicates Z: 71 37.328 1.945 0.623 0.691 0.900 0.643 CB 1.318 71 residues pruned to eliminate duplicates Z: 28 28.161 2.038 0.751 0.791 0.963 0.778 CB 1.222 28 residues pruned to eliminate duplicates Z: 78 35.093 1.899 0.634 0.654 0.909 0.610 CB 1.229 78 residues pruned to eliminate duplicates Z: 126 50.449 1.905 0.684 0.687 0.928 0.560 CB 1.277 126 residues pruned to eliminate duplicates Z: 50 27.592 1.920 0.492 0.711 0.918 0.449 CB 1.237 50 residues pruned to eliminate duplicates Z: 27 30.320 2.049 0.777 0.801 0.962 0.615 CB 1.305 27 residues pruned to eliminate duplicates Z: 28 27.278 2.058 0.744 0.771 0.926 0.630 CB 1.243 28 residues pruned to eliminate duplicates Z: 26 29.903 2.067 0.818 0.833 0.960 0.680 CB 1.244 26 residues pruned to eliminate duplicates Z: 28 27.030 2.034 0.737 0.746 0.963 0.593 CB 1.227 28 residues pruned to eliminate duplicates Z: 33 24.885 2.007 0.735 0.721 0.906 0.562 CB 1.142 33 residues pruned to eliminate duplicates Z: 24 32.996 2.094 0.833 0.880 1.000 0.696 CB 1.299 24 residues pruned to eliminate duplicates Z: 26 29.545 2.074 0.845 0.803 0.920 0.560 CB 1.288 26 residues pruned to eliminate duplicates Z: 29 28.000 2.018 0.708 0.760 0.929 0.571 CB 1.312 29 residues pruned to eliminate duplicates Z: 58 28.944 1.895 0.690 0.692 0.895 0.456 CB 1.122 58 residues pruned to eliminate duplicates Z: 28 33.509 2.069 0.856 0.763 1.000 0.704 CB 1.329 28 residues pruned to eliminate duplicates Z: 30 27.906 1.973 0.833 0.708 1.000 0.517 CB 1.186 30 residues pruned to eliminate duplicates Z: 53 22.595 1.840 0.606 0.626 0.846 0.442 CB 1.112 53 residues pruned to eliminate duplicates Z: 28 34.750 2.041 0.905 0.755 1.000 0.481 CB 1.371 28 residues pruned to eliminate duplicates Z: 27 32.081 2.025 0.867 0.817 0.962 0.500 CB 1.314 27 residues pruned to eliminate duplicates Z: 111 51.389 1.948 0.629 0.769 0.918 0.673 CB 1.325 113 residues pruned to eliminate duplicates Z: 24 33.779 2.114 0.863 0.899 0.957 0.652 CB 1.336 24 residues pruned to eliminate duplicates Z: 57 44.710 2.044 0.735 0.801 0.964 0.768 CB 1.343 54 residues pruned to eliminate duplicates Z: 28 31.553 2.038 0.655 0.855 1.000 0.741 CB 1.329 28 residues pruned to eliminate duplicates Z: 28 32.710 2.063 0.608 0.877 1.000 0.889 CB 1.379 28 residues pruned to eliminate duplicates Z: 25 32.220 2.105 0.520 0.889 1.000 0.875 CB 1.479 25 residues pruned to eliminate duplicates Z: 53 44.007 2.069 0.761 0.812 0.962 0.769 CB 1.328 53 residues pruned to eliminate duplicates Z: 28 33.784 2.058 0.627 0.885 1.000 0.926 CB 1.402 28 residues pruned to eliminate duplicates Z: 27 32.488 2.070 0.576 0.867 1.000 0.923 CB 1.429 27 residues pruned to eliminate duplicates Z: 25 35.636 2.104 0.665 0.902 1.000 0.833 CB 1.481 25 residues pruned to eliminate duplicates Z: 27 31.723 2.081 0.605 0.888 0.962 0.885 CB 1.396 27 residues pruned to eliminate duplicates Z: 27 32.521 2.072 0.641 0.903 0.962 0.885 CB 1.391 27 residues pruned to eliminate duplicates Z: 27 31.459 2.052 0.586 0.891 0.962 0.923 CB 1.418 27 residues pruned to eliminate duplicates Z: 24 35.407 2.100 0.744 0.931 1.000 0.913 CB 1.409 24 residues pruned to eliminate duplicates Z: 25 34.372 2.075 0.770 0.900 1.000 0.875 CB 1.364 25 residues pruned to eliminate duplicates Z: 29 30.531 1.975 0.842 0.831 0.964 0.750 CB 1.236 29 residues pruned to eliminate duplicates Z: 25 36.153 2.063 0.841 0.898 1.000 0.708 CB 1.391 28 residues pruned to eliminate duplicates Z: 26 29.121 2.059 0.614 0.907 1.000 0.960 CB 1.246 26 residues pruned to eliminate duplicates Z: 27 37.563 2.070 0.898 0.900 1.000 0.808 CB 1.339 25 residues pruned to eliminate duplicates Z: 28 34.141 2.045 0.679 0.905 0.963 0.815 CB 1.414 28 residues pruned to eliminate duplicates Z: 25 38.310 2.089 0.860 0.933 1.000 0.917 CB 1.405 25 residues pruned to eliminate duplicates Z: 53 42.237 2.076 0.754 0.805 0.942 0.673 CB 1.308 53 residues pruned to eliminate duplicates Z: 27 38.540 2.067 0.942 0.876 1.000 0.654 CB 1.368 27 residues pruned to eliminate duplicates Z: 28 31.389 2.040 0.764 0.839 0.926 0.741 CB 1.354 28 residues pruned to eliminate duplicates Z: 27 34.085 2.082 0.822 0.918 0.923 0.769 CB 1.346 27 residues pruned to eliminate duplicates Z: 28 35.700 2.073 0.884 0.875 0.963 0.778 CB 1.329 28 residues pruned to eliminate duplicates Z: 75 44.788 1.982 0.678 0.777 0.959 0.716 CB 1.277 76 residues pruned to eliminate duplicates Z: 30 33.565 1.932 0.929 0.912 0.966 0.690 CB 1.227 26 residues pruned to eliminate duplicates Z: 27 35.406 2.055 1.002 0.909 0.962 0.731 CB 1.246 27 residues pruned to eliminate duplicates Z: 29 34.621 2.003 1.005 0.849 0.964 0.571 CB 1.252 29 residues pruned to eliminate duplicates Z: 9 27.147 2.251 0.929 0.800 1.000 0.875 CA 1.700 8 residues pruned to eliminate duplicates Z: 16 34.745 2.144 1.012 0.852 1.000 0.800 CB 1.538 16 residues pruned to eliminate duplicates Z: 19 22.553 1.975 0.681 0.714 0.944 0.667 CB 1.396 18 residues pruned to eliminate duplicates Z: 18 27.269 2.037 0.764 0.868 0.941 0.647 CA 1.430 18 residues pruned to eliminate duplicates Z: 19 25.845 2.060 0.720 0.775 0.944 0.778 CB 1.427 19 residues pruned to eliminate duplicates Z: 20 23.492 1.958 0.759 0.770 1.000 0.632 CB 1.233 20 residues pruned to eliminate duplicates Z: 20 31.466 2.051 0.896 0.805 1.000 0.737 CB 1.422 20 residues pruned to eliminate duplicates Z: 20 32.489 2.069 0.822 0.800 1.000 0.684 CB 1.521 20 residues pruned to eliminate duplicates Z: 28 20.752 1.836 0.763 0.613 0.852 0.519 CB 1.302 28 residues pruned to eliminate duplicates Z: 18 27.873 2.108 0.885 0.789 0.882 0.706 CB 1.496 18 residues pruned to eliminate duplicates Z: 18 32.296 2.102 0.964 0.838 0.941 0.765 CB 1.506 18 residues pruned to eliminate duplicates Z: 43 27.890 1.978 0.531 0.654 0.952 0.714 CB 1.293 40 residues pruned to eliminate duplicates Z: 17 27.471 2.092 0.816 0.890 0.875 0.750 CB 1.486 17 residues pruned to eliminate duplicates Z: 20 32.786 2.072 0.893 0.788 1.000 0.632 CB 1.489 20 residues pruned to eliminate duplicates Z: 20 27.585 2.023 0.707 0.804 1.000 0.842 CB 1.405 20 residues pruned to eliminate duplicates Z: 20 30.308 2.074 0.825 0.786 0.947 0.684 CB 1.508 20 residues pruned to eliminate duplicates Z: 31 24.250 1.907 0.736 0.603 0.900 0.567 CB 1.347 31 residues pruned to eliminate duplicates Z: 23 22.582 2.014 0.648 0.667 0.909 0.636 CB 1.367 23 residues pruned to eliminate duplicates Z: 29 25.379 1.919 0.659 0.617 0.929 0.607 CB 1.453 29 residues pruned to eliminate duplicates Z: 39 23.434 1.968 0.560 0.587 0.868 0.553 CB 1.312 39 residues pruned to eliminate duplicates Z: 25 24.520 2.008 0.651 0.651 0.917 0.625 CB 1.431 25 residues pruned to eliminate duplicates Z: 43 27.317 1.937 0.591 0.671 0.952 0.643 CB 1.226 43 residues pruned to eliminate duplicates Z: 6 5.088 2.123 -0.224 0.896 1.000 1.000 CB 0.990 6 residues pruned to eliminate duplicates Z: 23 13.650 1.925 0.395 0.644 0.864 0.727 CB 1.097 23 residues pruned to eliminate duplicates Z: 23 13.503 1.956 0.380 0.632 0.955 0.773 CB 0.988 23 residues pruned to eliminate duplicates Z: 23 15.235 1.902 0.355 0.663 1.000 0.636 CB 1.084 21 residues pruned to eliminate duplicates Z: 7 10.991 2.148 0.343 0.895 1.000 0.833 CB 1.115 7 residues pruned to eliminate duplicates Z: 21 17.677 1.983 0.448 0.696 1.000 0.750 CB 1.151 22 residues pruned to eliminate duplicates Z: 9 11.429 2.099 0.243 0.901 1.000 0.875 CB 1.105 9 residues pruned to eliminate duplicates Z: 21 17.965 2.018 0.515 0.633 1.000 0.800 CB 1.160 21 residues pruned to eliminate duplicates Z: 12 13.082 1.998 0.604 0.659 1.000 0.727 CB 1.062 12 residues pruned to eliminate duplicates Z: 24 15.533 1.884 0.506 0.574 0.957 0.870 CB 1.111 24 residues pruned to eliminate duplicates Z: 22 15.644 1.956 0.538 0.641 0.905 0.810 CB 1.098 22 residues pruned to eliminate duplicates Z: 21 11.770 1.803 0.580 0.486 0.900 0.400 CB 1.041 21 residues pruned to eliminate duplicates Z: 12 8.460 1.923 0.228 0.568 0.909 0.636 CB 1.113 12 residues pruned to eliminate duplicates Z: 22 14.013 1.955 0.299 0.638 0.952 0.714 CB 1.111 22 residues pruned to eliminate duplicates Z: 28 11.599 1.868 0.396 0.532 0.852 0.593 CB 0.974 28 residues pruned to eliminate duplicates Z: 37 17.992 1.853 0.444 0.545 0.917 0.667 CB 1.170 36 residues pruned to eliminate duplicates Z: 9 7.343 1.784 0.293 0.670 0.750 0.500 CB 1.283 9 residues pruned to eliminate duplicates Z: 33 24.529 1.920 0.400 0.686 0.938 0.625 CB 1.451 33 residues pruned to eliminate duplicates Z: 39 19.184 1.910 0.520 0.529 0.895 0.500 CB 1.164 39 residues pruned to eliminate duplicates Z: 26 14.852 1.877 0.351 0.609 0.880 0.520 CB 1.201 26 residues pruned to eliminate duplicates Z: 19 23.943 1.943 0.588 0.784 0.944 0.667 CB 1.509 19 residues pruned to eliminate duplicates Z: 21 24.079 1.868 0.459 0.799 1.000 0.700 CB 1.522 21 residues pruned to eliminate duplicates Z: 71 36.258 1.890 0.608 0.682 0.914 0.700 CB 1.319 71 residues pruned to eliminate duplicates Z: 60 36.642 1.876 0.454 0.806 0.949 0.831 CB 1.411 60 residues pruned to eliminate duplicates Z: 29 24.715 1.902 0.629 0.713 0.929 0.607 CB 1.339 29 residues pruned to eliminate duplicates Z: 26 26.780 1.885 0.563 0.910 1.000 0.800 CB 1.289 26 residues pruned to eliminate duplicates Z: 70 33.161 1.884 0.441 0.751 0.957 0.696 CB 1.229 70 residues pruned to eliminate duplicates Z: 69 38.368 1.942 0.595 0.716 0.912 0.647 CB 1.356 69 residues pruned to eliminate duplicates Z: 48 28.753 1.933 0.605 0.744 0.957 0.723 CB 1.135 48 residues pruned to eliminate duplicates Z: 61 41.413 1.913 0.682 0.804 0.950 0.733 CB 1.341 61 residues pruned to eliminate duplicates Z: 46 28.916 1.831 0.702 0.670 0.956 0.533 CB 1.237 46 residues pruned to eliminate duplicates Z: 40 28.974 1.985 0.652 0.696 0.872 0.513 CB 1.357 40 residues pruned to eliminate duplicates Z: 51 30.926 1.903 0.527 0.735 0.960 0.660 CB 1.269 51 residues pruned to eliminate duplicates Z: 50 35.383 1.914 0.689 0.760 0.980 0.592 CB 1.267 50 residues pruned to eliminate duplicates Z: 50 32.673 1.929 0.692 0.721 0.959 0.633 CB 1.221 50 residues pruned to eliminate duplicates Z: 29 23.190 1.892 0.562 0.754 0.893 0.536 CB 1.324 29 residues pruned to eliminate duplicates Z: 30 27.643 1.860 0.724 0.778 0.966 0.586 CB 1.297 30 residues pruned to eliminate duplicates Z: 52 28.606 1.866 0.559 0.724 0.941 0.706 CB 1.195 52 residues pruned to eliminate duplicates Z: 41 29.424 1.929 0.578 0.711 0.950 0.750 CB 1.329 41 residues pruned to eliminate duplicates Z: 73 37.406 1.876 0.539 0.726 0.931 0.667 CB 1.338 73 residues pruned to eliminate duplicates Z: 27 26.194 1.827 0.599 0.789 0.962 0.692 CB 1.419 27 residues pruned to eliminate duplicates Z: 20 10.158 1.698 0.161 0.639 0.842 0.474 CB 1.233 20 residues pruned to eliminate duplicates Z: 41 25.485 1.849 0.369 0.722 0.900 0.600 CB 1.448 41 residues pruned to eliminate duplicates Z: 69 38.613 1.909 0.554 0.759 0.941 0.706 CB 1.332 69 residues pruned to eliminate duplicates Z: 60 40.594 1.916 0.568 0.806 0.949 0.712 CB 1.420 60 residues pruned to eliminate duplicates Z: 56 42.100 1.909 0.589 0.831 0.982 0.709 CB 1.432 56 residues pruned to eliminate duplicates Z: 68 36.509 1.923 0.525 0.756 0.940 0.731 CB 1.288 68 residues pruned to eliminate duplicates Z: 38 18.593 1.815 0.369 0.646 0.865 0.676 CB 1.241 38 residues pruned to eliminate duplicates Z: 39 20.758 1.826 0.455 0.639 0.842 0.737 CB 1.322 39 residues pruned to eliminate duplicates Z: 35 24.989 1.885 0.496 0.774 0.971 0.618 CB 1.229 35 residues pruned to eliminate duplicates Z: 35 25.621 1.881 0.551 0.694 0.941 0.647 CB 1.340 35 residues pruned to eliminate duplicates Z: 49 21.148 1.806 0.449 0.645 0.875 0.625 CB 1.165 49 residues pruned to eliminate duplicates Z: 37 24.210 1.885 0.474 0.713 0.944 0.722 CB 1.268 37 residues pruned to eliminate duplicates Z: 38 24.214 1.871 0.462 0.697 0.946 0.730 CB 1.285 38 residues pruned to eliminate duplicates Z: 36 27.251 1.912 0.555 0.748 0.971 0.771 CB 1.278 36 residues pruned to eliminate duplicates Z: 23 15.909 1.883 0.355 0.646 0.909 0.591 CB 1.276 23 residues pruned to eliminate duplicates Z: 25 18.041 1.892 0.482 0.675 0.833 0.625 CB 1.342 25 residues pruned to eliminate duplicates Z: 21 20.368 1.937 0.377 0.693 0.950 0.700 CB 1.507 21 residues pruned to eliminate duplicates Z: 34 24.382 1.892 0.360 0.734 0.970 0.697 CB 1.378 34 residues pruned to eliminate duplicates Z: 35 24.585 1.903 0.558 0.735 0.882 0.706 CB 1.305 35 residues pruned to eliminate duplicates Z: 33 27.665 1.931 0.571 0.768 0.938 0.781 CB 1.357 33 residues pruned to eliminate duplicates Z: 61 39.574 1.891 0.592 0.819 0.950 0.717 CB 1.354 61 residues pruned to eliminate duplicates Z: 52 26.225 1.848 0.629 0.638 0.863 0.667 CB 1.242 52 residues pruned to eliminate duplicates Z: 34 30.040 1.895 0.696 0.746 0.970 0.697 CB 1.346 34 residues pruned to eliminate duplicates Z: 36 28.026 1.893 0.660 0.716 0.943 0.657 CB 1.315 36 residues pruned to eliminate duplicates Z: 35 29.691 1.924 0.772 0.741 0.912 0.735 CB 1.320 35 residues pruned to eliminate duplicates Z: 51 23.686 1.836 0.544 0.649 0.860 0.600 CB 1.196 51 residues pruned to eliminate duplicates Z: 33 27.454 1.936 0.574 0.752 0.969 0.688 CB 1.313 33 residues pruned to eliminate duplicates Z: 61 44.580 1.891 0.790 0.799 0.967 0.733 CB 1.354 61 residues pruned to eliminate duplicates Z: 33 26.342 1.916 0.713 0.740 0.906 0.750 CB 1.262 33 residues pruned to eliminate duplicates Z: 15 15.083 1.816 0.605 0.712 1.000 0.714 CB 1.141 15 residues pruned to eliminate duplicates Z: 35 22.033 1.854 0.647 0.592 0.941 0.706 CB 1.204 35 residues pruned to eliminate duplicates Z: 16 13.728 1.797 0.710 0.756 0.867 0.533 CB 1.060 16 residues pruned to eliminate duplicates Z: 12 18.065 1.893 0.693 0.743 1.000 0.818 CB 1.367 12 residues pruned to eliminate duplicates Z: 32 28.489 1.909 0.614 0.758 0.968 0.774 CB 1.365 32 residues pruned to eliminate duplicates Z: 18 14.211 1.696 0.706 0.564 0.882 0.588 CB 1.268 18 residues pruned to eliminate duplicates Z: 33 31.051 1.912 0.777 0.750 0.938 0.750 CB 1.378 33 residues pruned to eliminate duplicates Z: 40 22.872 1.809 0.655 0.654 0.923 0.564 CB 1.149 40 residues pruned to eliminate duplicates Z: 58 33.154 1.858 0.772 0.717 0.930 0.544 CB 1.179 58 residues pruned to eliminate duplicates Z: 18 12.181 1.675 0.379 0.552 0.941 0.706 CB 1.292 17 residues pruned to eliminate duplicates Z: 13 17.653 1.882 0.655 0.733 1.000 0.917 CB 1.326 19 residues pruned to eliminate duplicates Z: 12 11.762 1.596 0.621 0.652 0.909 0.727 CB 1.308 12 residues pruned to eliminate duplicates Z: 15 15.026 1.798 0.567 0.715 0.929 0.786 CB 1.264 16 residues pruned to eliminate duplicates Z: 11 12.691 1.702 0.503 0.791 1.000 0.800 CB 1.215 11 residues pruned to eliminate duplicates Z: 15 14.601 1.764 0.577 0.653 0.857 0.786 CB 1.420 15 residues pruned to eliminate duplicates Z: 14 14.263 1.776 0.701 0.619 0.923 0.692 CB 1.268 14 residues pruned to eliminate duplicates Z: 15 13.760 1.743 0.571 0.665 0.857 0.857 CB 1.344 15 residues pruned to eliminate duplicates Z: 14 13.855 1.806 0.765 0.593 0.846 0.769 CB 1.302 14 residues pruned to eliminate duplicates Z: 7 6.600 1.535 0.649 0.680 0.667 0.500 CB 1.353 7 residues pruned to eliminate duplicates 374 residues left after pruning, divided into chains as follows: A: 16 B: 159 C: 186 D: 13 CC for partial structure against native data = 47.47 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 4 used as input for final density modification = 0.300, Contrast = 0.449, Connect. = 0.701 for dens.mod. cycle 1 = 0.300, Contrast = 0.513, Connect. = 0.728 for dens.mod. cycle 2 TimeTaking 72.27