++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 20:35:16 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2o08-2.5-parrot-mrncs/2o08-2.5-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2o08-2.5-parrot-mrncs/2o08-2.5-parrot-mrncs.ins Phases from ./2o08-2.5-parrot-mrncs/2o08-2.5-parrot-mrncs.phi Native data from ./2o08-2.5-parrot-mrncs/2o08-2.5-parrot-mrncs.hkl Listing output to ./2o08-2.5-parrot-mrncs/2o08-2.5-parrot-mrncs.lst Phases output to ./2o08-2.5-parrot-mrncs/2o08-2.5-parrot-mrncs.phs Poly-Ala trace output to ./2o08-2.5-parrot-mrncs/2o08-2.5-parrot-mrncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: C 2 2 21 Allowed origin shift code: 5 19067 Reflections read from file ./2o08-2.5-parrot-mrncs/2o08-2.5-parrot-mrncs.phi 19067 Reflections read from file ./2o08-2.5-parrot-mrncs/2o08-2.5-parrot-mrncs.hkl 19067 Unique data, highest resolution = 2.500 Angstroms Anisotropic scaling: intensities multiplied by 0.000275h^2 -0.000046k^2 -0.000053l^2 +0.000000kl +0.000000hl +0.000000hk 210 Reflections with d > 2.700 and 0 in range 2.700 > d > 2.500 added Density sharpening factor set to 0.00 Fourier grid = 128 x 256 x 23 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.674 = 0.300, Contrast = 0.393, Connect. = 0.648 for dens.mod. cycle 1 = 0.300, Contrast = 0.494, Connect. = 0.674 for dens.mod. cycle 2 = 0.300, Contrast = 0.629, Connect. = 0.711 for dens.mod. cycle 3 = 0.300, Contrast = 0.677, Connect. = 0.725 for dens.mod. cycle 4 = 0.300, Contrast = 0.701, Connect. = 0.734 for dens.mod. cycle 5 = 0.300, Contrast = 0.718, Connect. = 0.740 for dens.mod. cycle 6 = 0.300, Contrast = 0.728, Connect. = 0.744 for dens.mod. cycle 7 = 0.300, Contrast = 0.736, Connect. = 0.747 for dens.mod. cycle 8 = 0.300, Contrast = 0.740, Connect. = 0.749 for dens.mod. cycle 9 = 0.300, Contrast = 0.744, Connect. = 0.750 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1309 peaks > 0.5 sigma used to seed fragment search Space for about 598 unique residues taking solvent into account 353 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 24.934 1.809 1.044 0.849 1.000 0.750 CB 1.443 B: 16 19.480 1.718 0.472 0.922 1.000 0.933 CB 1.399 C: 13 25.977 1.852 0.953 0.904 1.000 0.750 CB 1.477 D: 12 22.804 1.854 0.839 0.922 1.000 1.000 CB 1.418 13 residues pruned to eliminate duplicates E: 13 24.313 1.899 0.889 0.830 0.917 0.833 CA 1.605 12 residues pruned to eliminate duplicates F: 20 35.377 1.845 1.004 0.907 1.000 0.947 CB 1.560 G: 13 23.776 1.860 0.982 0.910 1.000 1.000 CB 1.321 13 residues pruned to eliminate duplicates H: 21 25.806 1.802 1.005 0.931 0.950 0.600 CB 1.175 I: 21 36.533 1.832 1.053 0.926 1.000 0.850 CB 1.523 20 residues pruned to eliminate duplicates J: 16 14.032 1.835 0.434 0.901 1.000 0.933 CB 0.983 K: 13 27.187 1.881 0.970 0.858 1.000 0.917 CB 1.560 13 residues pruned to eliminate duplicates L: 11 32.372 1.996 1.123 0.902 1.000 0.900 CB 1.722 12 residues pruned to eliminate duplicates M: 21 30.234 1.776 0.994 0.922 0.950 0.750 CB 1.414 21 residues pruned to eliminate duplicates N: 12 37.941 1.989 1.481 0.912 1.000 0.909 CB 1.642 12 residues pruned to eliminate duplicates O: 15 14.353 1.721 0.784 0.801 0.786 0.643 CB 1.222 15 residues pruned to eliminate duplicates P: 11 31.540 2.006 1.073 0.929 1.000 1.000 CB 1.679 11 residues pruned to eliminate duplicates Q: 23 24.975 1.794 0.812 0.910 0.955 0.955 CB 1.217 R: 11 34.516 2.031 1.328 0.918 1.000 0.900 CB 1.628 11 residues pruned to eliminate duplicates S: 13 20.472 1.855 0.631 0.822 1.000 0.667 CB 1.478 T: 22 24.553 1.832 0.843 0.916 0.952 0.857 CB 1.177 22 residues pruned to eliminate duplicates U: 17 17.416 1.760 0.788 0.856 0.938 0.812 CB 1.089 16 residues pruned to eliminate duplicates V: 21 26.735 1.810 0.891 0.877 0.950 0.950 CB 1.335 21 residues pruned to eliminate duplicates W: 13 18.673 1.782 0.738 0.887 1.000 0.833 CB 1.255 X: 16 18.586 1.832 0.583 0.894 1.000 0.800 CB 1.188 16 residues pruned to eliminate duplicates Y: 13 20.113 1.878 0.743 0.919 1.000 0.917 CB 1.250 12 residues pruned to eliminate duplicates Z: 14 19.859 1.767 0.777 0.891 0.923 0.846 CB 1.366 Z: 21 30.240 1.786 0.897 0.920 0.950 0.800 CB 1.480 Z: 20 34.269 1.839 1.042 0.940 1.000 1.000 CB 1.454 20 residues pruned to eliminate duplicates Z: 24 23.695 1.742 1.062 0.883 0.957 0.565 CB 1.040 24 residues pruned to eliminate duplicates Z: 12 16.239 1.846 0.587 0.773 0.909 0.727 CB 1.444 12 residues pruned to eliminate duplicates Z: 12 30.627 1.989 1.056 0.907 1.000 1.000 CB 1.605 12 residues pruned to eliminate duplicates Z: 12 15.669 1.827 0.848 0.811 0.909 0.636 CB 1.174 Z: 7 2.336 1.575 -0.139 0.524 0.833 0.833 CB 0.824 Z: 13 14.270 1.659 0.948 0.786 1.000 0.583 CB 0.991 Z: 15 19.900 1.758 0.753 0.869 0.929 0.786 CA 1.358 14 residues pruned to eliminate duplicates Z: 15 23.132 1.789 0.841 0.881 1.000 1.000 CA 1.360 14 residues pruned to eliminate duplicates Z: 10 16.578 1.873 0.823 0.898 0.889 0.778 CB 1.302 Z: 11 16.088 1.832 0.499 0.837 1.000 0.800 CB 1.385 11 residues pruned to eliminate duplicates Z: 20 25.266 1.770 0.662 0.924 0.947 0.737 O 1.460 20 residues pruned to eliminate duplicates Z: 11 14.227 1.671 0.909 0.836 0.900 0.700 CB 1.173 11 residues pruned to eliminate duplicates Z: 14 13.765 1.761 0.380 0.824 0.846 0.692 CB 1.402 14 residues pruned to eliminate duplicates Z: 22 18.810 1.692 0.486 0.910 1.000 0.952 CB 1.157 21 residues pruned to eliminate duplicates Z: 14 16.345 1.702 0.692 0.830 1.000 0.846 CB 1.183 Z: 20 33.733 1.815 0.985 0.929 1.000 0.789 CB 1.504 21 residues pruned to eliminate duplicates Z: 14 10.817 1.814 0.628 0.727 0.846 0.769 CB 0.978 14 residues pruned to eliminate duplicates Z: 22 30.259 1.774 0.852 0.926 1.000 0.810 CB 1.409 20 residues pruned to eliminate duplicates Z: 14 16.364 1.486 0.734 0.836 1.000 0.769 N 1.318 Z: 17 14.611 1.729 0.677 0.706 0.875 0.812 CB 1.194 Z: 23 20.991 1.757 0.562 0.897 0.955 0.864 CB 1.223 22 residues pruned to eliminate duplicates Z: 23 25.430 1.802 0.869 0.915 1.000 0.773 CB 1.138 24 residues pruned to eliminate duplicates Z: 15 22.395 1.819 0.896 0.844 0.929 0.786 CA 1.390 15 residues pruned to eliminate duplicates Z: 20 32.652 1.817 0.900 0.925 0.947 0.895 CB 1.607 20 residues pruned to eliminate duplicates Z: 12 17.922 1.910 0.567 0.887 0.909 0.909 CB 1.431 12 residues pruned to eliminate duplicates Z: 14 16.305 1.722 0.590 0.886 1.000 0.692 CB 1.192 14 residues pruned to eliminate duplicates Z: 12 16.290 1.811 0.954 0.911 1.000 0.727 CB 0.984 12 residues pruned to eliminate duplicates Z: 23 22.323 1.777 0.580 0.890 1.000 0.909 CB 1.219 23 residues pruned to eliminate duplicates Z: 13 15.554 1.774 0.630 0.818 1.000 0.583 CB 1.178 13 residues pruned to eliminate duplicates Z: 11 12.735 1.842 0.827 0.809 0.900 0.400 CB 1.016 11 residues pruned to eliminate duplicates Z: 11 12.975 1.800 0.870 0.833 0.900 0.700 CB 1.016 11 residues pruned to eliminate duplicates Z: 12 11.330 1.678 0.445 0.870 0.909 0.636 CB 1.131 12 residues pruned to eliminate duplicates Z: 20 28.443 1.808 1.035 0.892 0.895 0.789 CB 1.423 20 residues pruned to eliminate duplicates Z: 14 23.153 1.773 0.920 0.870 1.000 0.692 CA 1.377 14 residues pruned to eliminate duplicates Z: 15 17.388 1.869 0.745 0.679 0.929 0.786 CB 1.301 12 residues pruned to eliminate duplicates Z: 13 20.129 1.804 0.867 0.814 0.917 0.833 CB 1.432 14 residues pruned to eliminate duplicates Z: 10 15.069 1.847 0.766 0.853 0.889 0.778 CB 1.281 10 residues pruned to eliminate duplicates Z: 14 9.166 1.717 0.555 0.650 0.769 0.538 CB 1.077 11 residues pruned to eliminate duplicates Z: 15 20.073 1.703 0.768 0.904 1.000 0.643 CB 1.269 15 residues pruned to eliminate duplicates Z: 12 13.833 1.668 0.604 0.898 1.000 0.727 CB 1.115 11 residues pruned to eliminate duplicates Z: 23 20.879 1.698 0.701 0.917 0.955 0.682 CB 1.140 23 residues pruned to eliminate duplicates Z: 13 17.776 1.781 0.814 0.888 0.917 0.833 CB 1.248 13 residues pruned to eliminate duplicates Z: 17 17.282 1.676 0.623 0.879 1.000 0.812 CB 1.151 Z: 22 24.123 1.780 0.910 0.906 1.000 0.857 CB 1.101 24 residues pruned to eliminate duplicates Z: 15 17.201 1.774 0.812 0.746 0.857 0.643 CA 1.340 15 residues pruned to eliminate duplicates Z: 14 13.847 1.736 0.425 0.883 1.000 0.923 CB 1.122 14 residues pruned to eliminate duplicates Z: 20 28.835 1.804 0.906 0.901 0.947 0.684 CB 1.449 20 residues pruned to eliminate duplicates Z: 13 18.244 1.780 0.941 0.839 0.917 0.750 CB 1.242 13 residues pruned to eliminate duplicates Z: 13 12.711 1.679 0.660 0.894 1.000 0.750 CB 0.944 13 residues pruned to eliminate duplicates Z: 22 25.598 1.769 0.643 0.907 1.000 0.810 CB 1.365 22 residues pruned to eliminate duplicates Z: 19 26.816 1.824 0.854 0.931 1.000 0.944 CB 1.306 19 residues pruned to eliminate duplicates Z: 8 3.051 1.656 0.454 0.314 0.429 0.429 CB 1.373 Z: 10 15.498 1.758 1.071 0.851 1.000 0.778 CB 1.051 Z: 12 23.806 1.800 1.094 0.845 0.909 0.727 CB 1.558 12 residues pruned to eliminate duplicates Z: 24 22.435 1.708 0.951 0.885 0.957 0.696 CB 1.060 24 residues pruned to eliminate duplicates Z: 8 10.624 1.833 0.350 0.823 1.000 0.571 CB 1.226 7 residues pruned to eliminate duplicates Z: 14 14.557 1.774 0.585 0.731 0.923 0.692 CB 1.264 14 residues pruned to eliminate duplicates Z: 21 35.363 1.806 1.272 0.930 1.000 0.850 CB 1.347 21 residues pruned to eliminate duplicates Z: 20 18.678 1.802 0.442 0.647 0.947 0.789 N 1.518 16 residues pruned to eliminate duplicates Z: 15 18.901 1.754 0.767 0.911 0.857 0.786 CB 1.348 15 residues pruned to eliminate duplicates Z: 14 17.064 1.765 0.744 0.853 0.923 0.692 CB 1.231 14 residues pruned to eliminate duplicates Z: 7 9.510 1.744 0.549 0.882 1.000 0.833 CB 1.041 7 residues pruned to eliminate duplicates Z: 20 36.779 1.785 1.293 0.941 1.000 0.842 CB 1.431 20 residues pruned to eliminate duplicates Z: 17 15.956 1.777 0.496 0.911 1.000 0.875 CB 1.063 18 residues pruned to eliminate duplicates Z: 15 13.506 1.643 0.766 0.799 0.786 0.643 CB 1.219 15 residues pruned to eliminate duplicates Z: 15 20.206 1.791 0.727 0.843 0.929 0.786 CA 1.400 15 residues pruned to eliminate duplicates Z: 12 21.955 1.764 1.354 0.866 1.000 0.727 CB 1.167 10 residues pruned to eliminate duplicates Z: 12 20.727 1.852 0.714 0.836 1.000 0.818 CB 1.474 12 residues pruned to eliminate duplicates Z: 16 17.313 1.744 0.593 0.830 1.000 0.933 CB 1.210 16 residues pruned to eliminate duplicates Z: 14 25.079 1.805 0.989 0.897 1.000 0.923 CA 1.387 15 residues pruned to eliminate duplicates Z: 12 17.116 1.651 0.677 0.849 1.000 0.727 CB 1.382 12 residues pruned to eliminate duplicates Z: 14 22.729 1.845 0.692 0.801 1.000 0.846 CA 1.553 14 residues pruned to eliminate duplicates Z: 14 19.446 1.687 0.899 0.809 1.000 0.615 CB 1.286 13 residues pruned to eliminate duplicates Z: 15 18.725 1.782 0.558 0.873 1.000 0.643 CA 1.313 15 residues pruned to eliminate duplicates Z: 14 20.655 1.758 0.833 0.896 1.000 1.000 CB 1.273 17 residues pruned to eliminate duplicates Z: 8 12.964 1.693 0.744 0.837 0.857 0.571 CA 1.447 Z: 14 9.291 1.670 0.943 0.395 0.692 0.538 CB 1.282 14 residues pruned to eliminate duplicates Z: 37 24.593 1.844 0.716 0.646 1.000 0.694 CB 1.130 27 residues pruned to eliminate duplicates Z: 24 20.795 1.686 0.644 0.952 1.000 0.957 CB 1.077 24 residues pruned to eliminate duplicates Z: 11 12.344 1.546 0.430 0.864 1.000 0.700 CB 1.295 Z: 23 24.784 1.777 0.876 0.898 1.000 0.818 CB 1.134 23 residues pruned to eliminate duplicates Z: 20 32.827 1.797 1.047 0.919 1.000 0.842 CB 1.443 20 residues pruned to eliminate duplicates Z: 14 15.824 1.652 0.935 0.871 1.000 0.769 CB 1.002 13 residues pruned to eliminate duplicates Z: 8 7.192 1.809 0.267 0.750 0.857 0.429 CB 1.108 7 residues pruned to eliminate duplicates Z: 19 30.742 1.698 1.227 0.891 1.000 0.611 CB 1.377 18 residues pruned to eliminate duplicates Z: 7 10.694 1.829 0.325 0.871 1.000 1.000 CB 1.315 7 residues pruned to eliminate duplicates Z: 14 12.590 1.815 0.668 0.736 1.000 0.769 CB 0.933 14 residues pruned to eliminate duplicates Z: 14 18.887 1.640 0.798 0.912 1.000 0.923 CB 1.258 14 residues pruned to eliminate duplicates Z: 13 31.172 1.828 1.273 0.917 1.000 0.583 CB 1.528 14 residues pruned to eliminate duplicates Z: 21 28.229 1.780 0.791 0.929 0.950 0.850 CB 1.458 21 residues pruned to eliminate duplicates Z: 7 4.137 1.543 0.187 0.393 1.000 0.667 N 1.033 7 residues pruned to eliminate duplicates Z: 15 13.963 1.742 0.651 0.873 0.857 0.786 CB 1.102 15 residues pruned to eliminate duplicates Z: 6 8.953 1.595 0.415 0.824 1.000 0.600 CA 1.340 Z: 12 24.231 1.972 0.618 0.923 1.000 1.000 CB 1.609 12 residues pruned to eliminate duplicates Z: 20 20.674 1.742 0.522 0.909 1.000 0.842 CB 1.270 20 residues pruned to eliminate duplicates Z: 19 32.716 1.805 1.074 0.911 1.000 0.778 CB 1.460 20 residues pruned to eliminate duplicates Z: 14 19.501 1.777 0.630 0.886 1.000 0.923 CA 1.347 14 residues pruned to eliminate duplicates Z: 15 18.204 1.652 1.062 0.818 0.857 0.643 CB 1.264 15 residues pruned to eliminate duplicates Z: 14 19.763 1.724 1.170 0.775 0.923 0.615 CB 1.244 14 residues pruned to eliminate duplicates Z: 12 14.949 1.571 0.577 0.904 1.000 0.727 CB 1.296 12 residues pruned to eliminate duplicates Z: 11 11.421 1.583 0.426 0.846 1.000 0.600 CB 1.188 11 residues pruned to eliminate duplicates Z: 12 14.507 1.761 0.765 0.799 0.909 0.727 CB 1.191 12 residues pruned to eliminate duplicates Z: 13 14.466 1.871 0.632 0.707 0.917 0.833 CB 1.236 13 residues pruned to eliminate duplicates Z: 26 15.866 1.774 0.575 0.505 0.880 0.560 CB 1.284 25 residues pruned to eliminate duplicates Z: 15 22.290 1.814 1.013 0.795 0.857 0.643 CB 1.469 15 residues pruned to eliminate duplicates Z: 23 26.678 1.792 0.982 0.921 1.000 0.864 CB 1.127 23 residues pruned to eliminate duplicates Z: 14 17.602 1.834 0.508 0.884 1.000 0.769 CB 1.276 14 residues pruned to eliminate duplicates Z: 11 8.286 1.776 0.443 0.857 0.700 0.500 CB 1.077 11 residues pruned to eliminate duplicates Z: 12 17.037 1.787 1.118 0.840 0.909 0.727 CB 1.114 12 residues pruned to eliminate duplicates Z: 19 30.665 1.791 1.084 0.914 1.000 0.778 CB 1.369 19 residues pruned to eliminate duplicates Z: 17 19.737 1.806 1.007 0.831 1.000 0.688 CB 1.022 17 residues pruned to eliminate duplicates Z: 14 20.282 1.803 0.836 0.903 1.000 0.846 CB 1.211 14 residues pruned to eliminate duplicates Z: 56 33.059 1.766 0.663 0.674 0.909 0.709 CB 1.422 49 residues pruned to eliminate duplicates Z: 17 11.625 1.603 0.567 0.868 0.938 0.812 CB 0.903 17 residues pruned to eliminate duplicates Z: 17 18.869 1.620 0.682 0.843 1.000 0.812 CB 1.289 17 residues pruned to eliminate duplicates Z: 6 3.362 1.706 0.775 0.793 1.000 0.400 CB 0.384 Z: 23 22.185 1.765 0.706 0.907 1.000 0.909 CB 1.116 23 residues pruned to eliminate duplicates Z: 20 29.525 1.704 1.291 0.925 0.947 0.579 CB 1.286 20 residues pruned to eliminate duplicates Z: 13 20.905 1.755 0.882 0.871 1.000 0.833 CB 1.332 13 residues pruned to eliminate duplicates Z: 12 15.424 1.801 0.738 0.837 0.909 0.818 CB 1.221 12 residues pruned to eliminate duplicates Z: 11 19.603 1.622 0.989 0.908 1.000 0.700 CB 1.365 11 residues pruned to eliminate duplicates Z: 22 28.724 1.770 0.928 0.909 1.000 0.857 CB 1.304 22 residues pruned to eliminate duplicates Z: 15 12.178 1.817 0.680 0.517 1.000 0.571 CB 1.048 20 residues pruned to eliminate duplicates Z: 23 21.957 1.765 0.589 0.902 1.000 0.864 CB 1.190 23 residues pruned to eliminate duplicates Z: 7 3.098 1.401 0.340 0.366 0.667 0.333 CB 1.167 Z: 54 28.652 1.810 0.785 0.650 0.906 0.604 CB 1.169 54 residues pruned to eliminate duplicates Z: 34 21.824 1.815 0.615 0.583 0.879 0.697 CB 1.363 33 residues pruned to eliminate duplicates Z: 12 22.417 1.833 0.888 0.831 1.000 0.909 CB 1.467 18 residues pruned to eliminate duplicates Z: 6 2.836 1.647 0.481 0.269 0.800 0.600 CB 0.845 Z: 6 4.833 1.389 0.385 0.523 1.000 0.400 N 1.098 Z: 21 19.571 1.696 0.653 0.934 1.000 0.900 CB 1.088 21 residues pruned to eliminate duplicates Z: 6 2.886 1.472 0.253 0.468 0.800 0.400 CB 0.903 Z: 14 16.751 1.800 0.576 0.869 0.923 0.692 CB 1.295 14 residues pruned to eliminate duplicates Z: 21 27.883 1.807 0.767 0.921 1.000 0.850 CB 1.374 21 residues pruned to eliminate duplicates Z: 21 35.860 1.802 1.246 0.927 1.000 0.700 CB 1.389 21 residues pruned to eliminate duplicates Z: 19 16.626 1.747 0.631 0.655 1.000 0.833 CB 1.191 21 residues pruned to eliminate duplicates Z: 6 2.692 1.175 0.576 0.735 1.000 0.800 O 0.527 Z: 7 2.990 1.514 0.265 0.464 0.667 0.667 CB 0.992 Z: 14 15.130 1.637 0.604 0.887 1.000 0.769 CB 1.152 14 residues pruned to eliminate duplicates Z: 12 13.951 1.821 0.889 0.852 0.909 0.545 CB 0.994 12 residues pruned to eliminate duplicates Z: 20 19.108 1.708 0.905 0.907 0.895 0.789 CB 1.070 20 residues pruned to eliminate duplicates Z: 21 18.291 1.782 0.335 0.648 1.000 0.800 CB 1.498 21 residues pruned to eliminate duplicates Z: 6 5.460 1.303 0.707 0.746 1.000 0.800 O 0.882 6 residues pruned to eliminate duplicates Z: 14 16.618 1.747 0.535 0.773 0.923 0.923 CB 1.462 14 residues pruned to eliminate duplicates Z: 11 22.403 1.807 1.416 0.893 0.900 0.800 CB 1.295 11 residues pruned to eliminate duplicates Z: 14 14.117 1.763 0.591 0.741 0.923 0.769 CB 1.218 14 residues pruned to eliminate duplicates Z: 15 3.831 1.451 0.558 0.239 0.643 0.286 CB 0.953 15 residues pruned to eliminate duplicates Z: 14 16.072 1.747 0.688 0.847 0.923 0.923 CB 1.216 14 residues pruned to eliminate duplicates Z: 11 14.646 1.577 0.496 0.909 1.000 0.900 CA 1.393 11 residues pruned to eliminate duplicates Z: 13 21.106 1.768 1.039 0.834 1.000 0.750 CB 1.267 13 residues pruned to eliminate duplicates Z: 6 6.195 1.682 0.719 0.751 1.000 0.800 CB 0.766 Z: 14 25.830 1.794 1.327 0.882 0.923 0.846 CB 1.346 14 residues pruned to eliminate duplicates Z: 31 24.510 1.693 0.636 0.831 0.933 0.633 CB 1.301 31 residues pruned to eliminate duplicates 6 1.970 1.507 0.881 0.409 0.400 0.400 CB 0.855 ? Z: 23 22.483 1.758 0.736 0.895 1.000 0.818 CB 1.125 23 residues pruned to eliminate duplicates Z: 33 23.545 1.791 0.889 0.757 0.875 0.594 CB 1.118 33 residues pruned to eliminate duplicates Z: 21 33.263 1.788 0.957 0.930 1.000 0.900 CB 1.486 21 residues pruned to eliminate duplicates 6 1.665 1.311 0.654 0.314 0.800 0.400 CB 0.527 ? Z: 13 22.975 1.799 0.940 0.939 1.000 0.917 CB 1.320 14 residues pruned to eliminate duplicates Z: 28 14.994 1.739 0.817 0.543 0.852 0.630 CB 1.028 28 residues pruned to eliminate duplicates Z: 6 4.427 1.648 0.106 0.684 0.800 0.400 CB 1.146 Z: 11 11.431 1.777 0.718 0.846 0.800 0.600 CB 1.100 11 residues pruned to eliminate duplicates Z: 16 15.186 1.780 0.373 0.707 1.000 0.600 CB 1.329 16 residues pruned to eliminate duplicates Z: 6 2.019 1.379 0.232 0.419 0.600 0.600 C 0.964 Z: 14 18.096 1.719 0.526 0.923 1.000 0.923 CB 1.344 13 residues pruned to eliminate duplicates Z: 15 18.443 1.732 0.749 0.888 0.929 0.857 CB 1.262 15 residues pruned to eliminate duplicates Z: 12 11.626 1.596 0.550 0.811 1.000 0.727 CB 1.081 12 residues pruned to eliminate duplicates Z: 8 2.059 1.261 0.351 0.373 0.714 0.286 CB 0.733 Z: 91 37.153 1.778 0.702 0.653 0.933 0.633 CB 1.203 92 residues pruned to eliminate duplicates Z: 10 6.653 1.684 0.329 0.471 0.778 0.444 CB 1.313 Z: 8 10.504 1.822 0.466 0.746 0.857 0.429 CB 1.392 8 residues pruned to eliminate duplicates Z: 26 29.166 1.833 0.858 0.783 0.960 0.840 CB 1.390 26 residues pruned to eliminate duplicates Z: 10 13.406 1.691 0.398 0.909 1.000 0.889 CB 1.342 10 residues pruned to eliminate duplicates Z: 11 9.695 1.572 0.370 0.830 0.800 0.500 CB 1.338 11 residues pruned to eliminate duplicates Z: 22 27.390 1.785 1.148 0.921 0.952 0.667 CB 1.152 22 residues pruned to eliminate duplicates Z: 13 14.006 1.743 1.045 0.685 0.917 0.583 CB 1.044 13 residues pruned to eliminate duplicates Z: 9 5.668 1.619 0.472 0.485 0.875 0.625 CB 0.976 Z: 10 3.931 1.371 0.626 0.494 0.778 0.556 CB 0.761 Z: 13 12.966 1.654 0.444 0.876 1.000 0.833 CB 1.139 12 residues pruned to eliminate duplicates Z: 23 25.545 1.720 0.911 0.896 0.955 0.864 CB 1.243 23 residues pruned to eliminate duplicates Z: 20 24.800 1.677 0.979 0.874 0.947 0.684 O 1.317 20 residues pruned to eliminate duplicates Z: 12 12.441 1.741 0.477 0.870 0.909 0.818 CB 1.172 12 residues pruned to eliminate duplicates Z: 13 16.587 1.790 0.923 0.506 0.917 0.583 CB 1.508 20 residues pruned to eliminate duplicates Z: 11 13.378 1.586 0.759 0.860 0.900 0.800 N 1.240 11 residues pruned to eliminate duplicates Z: 22 25.815 1.793 0.976 0.914 1.000 0.857 CB 1.124 22 residues pruned to eliminate duplicates Z: 7 5.994 1.501 0.499 0.625 0.833 0.667 N 1.160 Z: 11 14.177 1.623 0.420 0.881 1.000 0.900 CB 1.409 11 residues pruned to eliminate duplicates Z: 57 36.276 1.814 0.761 0.748 0.946 0.714 CB 1.284 56 residues pruned to eliminate duplicates Z: 14 13.017 1.789 0.802 0.752 1.000 0.615 CB 0.894 14 residues pruned to eliminate duplicates Z: 11 15.081 1.698 0.784 0.776 0.900 0.800 CB 1.371 11 residues pruned to eliminate duplicates Z: 6 3.518 1.687 0.028 0.398 0.800 0.400 CB 1.263 Z: 7 3.930 1.548 0.255 0.313 0.833 0.333 CB 1.218 Z: 11 12.714 1.750 0.608 0.819 1.000 0.500 CB 1.083 11 residues pruned to eliminate duplicates Z: 19 5.556 1.553 0.627 0.433 0.667 0.278 CB 0.834 6 residues pruned to eliminate duplicates Z: 9 4.430 1.527 0.016 0.629 0.875 0.750 O 1.022 9 residues pruned to eliminate duplicates Z: 12 18.699 1.770 0.878 0.890 0.909 0.818 CB 1.342 12 residues pruned to eliminate duplicates Z: 12 7.762 1.577 1.069 0.535 0.636 0.364 CB 1.090 12 residues pruned to eliminate duplicates Z: 13 23.594 1.818 0.966 0.816 1.000 0.917 CB 1.447 13 residues pruned to eliminate duplicates Z: 59 27.495 1.733 0.617 0.701 0.914 0.603 CB 1.174 59 residues pruned to eliminate duplicates Z: 60 33.737 1.784 0.849 0.699 0.932 0.712 CB 1.192 61 residues pruned to eliminate duplicates Z: 11 16.465 1.750 1.169 0.855 0.900 0.600 CB 1.124 11 residues pruned to eliminate duplicates Z: 10 9.022 1.729 0.547 0.488 1.000 0.667 CB 1.139 10 residues pruned to eliminate duplicates 343 residues left after pruning, divided into chains as follows: A: 8 B: 14 C: 12 D: 14 E: 22 F: 57 G: 13 H: 16 I: 16 J: 13 K: 66 L: 92 CC for partial structure against native data = 39.43 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.508, Connect. = 0.688 for dens.mod. cycle 1 = 0.300, Contrast = 0.593, Connect. = 0.720 for dens.mod. cycle 2 = 0.300, Contrast = 0.710, Connect. = 0.748 for dens.mod. cycle 3 = 0.300, Contrast = 0.729, Connect. = 0.750 for dens.mod. cycle 4 = 0.300, Contrast = 0.743, Connect. = 0.752 for dens.mod. cycle 5 = 0.300, Contrast = 0.747, Connect. = 0.753 for dens.mod. cycle 6 = 0.300, Contrast = 0.752, Connect. = 0.754 for dens.mod. cycle 7 = 0.300, Contrast = 0.754, Connect. = 0.755 for dens.mod. cycle 8 = 0.300, Contrast = 0.755, Connect. = 0.756 for dens.mod. cycle 9 = 0.300, Contrast = 0.756, Connect. = 0.757 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1342 peaks > 0.5 sigma used to seed fragment search Space for about 598 unique residues taking solvent into account 342 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 21.932 1.846 0.604 0.926 1.000 0.923 CB 1.441 B: 12 27.751 2.022 0.873 0.879 1.000 0.909 CB 1.602 C: 13 22.171 1.909 0.870 0.917 0.917 0.917 CB 1.381 14 residues pruned to eliminate duplicates D: 14 23.512 1.868 0.746 0.859 1.000 0.769 N 1.471 13 residues pruned to eliminate duplicates E: 8 6.292 1.979 -0.090 0.796 0.714 0.429 CB 1.426 F: 14 21.224 1.744 0.670 0.878 1.000 0.846 N 1.466 14 residues pruned to eliminate duplicates G: 11 15.888 1.916 0.550 0.892 0.900 0.800 CB 1.350 H: 11 19.301 1.874 0.750 0.898 1.000 0.900 CB 1.331 10 residues pruned to eliminate duplicates I: 23 20.203 1.833 0.442 0.889 1.000 0.773 CB 1.173 J: 12 14.996 2.019 0.376 0.868 1.000 1.000 CB 1.190 K: 20 26.254 1.821 0.592 0.913 1.000 0.895 CB 1.470 L: 22 21.909 1.914 0.654 0.910 0.905 0.762 CB 1.184 11 residues pruned to eliminate duplicates M: 19 20.644 1.892 0.793 0.673 0.944 0.667 CB 1.295 12 residues pruned to eliminate duplicates N: 11 17.360 1.966 0.685 0.879 1.000 0.900 CB 1.202 O: 8 15.950 2.011 0.561 0.872 1.000 1.000 CB 1.400 8 residues pruned to eliminate duplicates P: 11 14.369 1.838 0.729 0.850 0.900 0.700 CB 1.177 11 residues pruned to eliminate duplicates Q: 17 17.698 1.714 0.460 0.866 0.938 0.812 CB 1.381 R: 12 17.882 1.957 0.578 0.843 0.909 0.818 CB 1.430 12 residues pruned to eliminate duplicates S: 14 17.379 1.813 0.527 0.846 0.923 0.769 CB 1.401 14 residues pruned to eliminate duplicates T: 15 14.870 1.927 0.252 0.901 1.000 0.857 CB 1.176 U: 15 19.567 1.819 0.594 0.917 1.000 0.786 CB 1.273 16 residues pruned to eliminate duplicates V: 13 21.268 1.912 0.803 0.870 0.917 0.500 CB 1.418 W: 15 15.111 1.905 0.509 0.824 0.929 0.714 CB 1.142 6 residues pruned to eliminate duplicates X: 11 15.806 1.876 0.788 0.853 0.800 0.600 CB 1.377 11 residues pruned to eliminate duplicates Y: 15 15.661 1.853 0.272 0.899 0.929 0.857 CB 1.367 15 residues pruned to eliminate duplicates Z: 9 12.289 1.904 0.322 0.832 1.000 0.375 CB 1.296 8 residues pruned to eliminate duplicates Z: 16 12.251 1.938 0.376 0.699 0.933 0.733 CB 1.060 16 residues pruned to eliminate duplicates Z: 22 26.795 1.831 0.782 0.940 1.000 0.810 CB 1.244 21 residues pruned to eliminate duplicates Z: 21 29.808 1.893 0.600 0.952 1.000 0.800 CB 1.516 Z: 15 20.407 1.822 0.412 0.847 1.000 0.929 CA 1.574 Z: 12 15.461 1.950 0.401 0.844 0.909 0.818 CB 1.397 12 residues pruned to eliminate duplicates Z: 13 14.716 1.625 0.417 0.872 1.000 0.750 N 1.344 Z: 21 27.698 1.865 0.609 0.893 0.950 0.750 CB 1.559 21 residues pruned to eliminate duplicates Z: 13 15.401 1.836 0.425 0.846 0.917 0.833 CB 1.377 13 residues pruned to eliminate duplicates Z: 12 24.951 2.030 0.777 0.859 1.000 1.000 CB 1.535 12 residues pruned to eliminate duplicates Z: 21 31.040 1.863 0.631 0.932 1.000 0.850 CB 1.594 21 residues pruned to eliminate duplicates Z: 10 26.040 1.897 1.058 0.883 1.000 0.889 N 1.608 14 residues pruned to eliminate duplicates Z: 22 23.026 1.829 0.909 0.894 0.905 0.476 CB 1.141 23 residues pruned to eliminate duplicates Z: 13 21.346 1.886 0.798 0.893 1.000 0.667 CB 1.304 13 residues pruned to eliminate duplicates Z: 14 19.507 1.830 0.587 0.907 0.923 0.769 CB 1.434 14 residues pruned to eliminate duplicates Z: 12 17.875 1.852 0.488 0.893 1.000 0.818 CB 1.404 12 residues pruned to eliminate duplicates Z: 18 20.744 1.917 0.574 0.902 0.941 0.882 CB 1.264 18 residues pruned to eliminate duplicates Z: 14 18.660 1.852 0.898 0.729 0.846 0.538 N 1.416 Z: 16 14.383 1.662 0.704 0.735 0.800 0.600 N 1.327 16 residues pruned to eliminate duplicates Z: 19 28.552 1.881 0.854 0.938 1.000 0.889 CB 1.342 19 residues pruned to eliminate duplicates Z: 14 19.329 1.834 0.547 0.882 1.000 0.769 CB 1.367 14 residues pruned to eliminate duplicates Z: 13 19.043 1.897 0.402 0.882 1.000 0.750 CB 1.496 13 residues pruned to eliminate duplicates Z: 13 17.075 1.901 0.262 0.917 1.000 1.000 CB 1.450 13 residues pruned to eliminate duplicates Z: 17 15.154 1.853 0.499 0.871 1.000 0.688 CB 0.995 15 residues pruned to eliminate duplicates Z: 11 10.492 1.764 0.235 0.811 1.000 0.800 CB 1.162 11 residues pruned to eliminate duplicates Z: 15 18.185 1.801 0.575 0.875 0.929 0.714 CB 1.341 Z: 13 18.260 1.883 0.398 0.912 1.000 0.833 CB 1.417 13 residues pruned to eliminate duplicates Z: 11 22.688 1.802 1.155 0.870 1.000 1.000 CB 1.349 Z: 14 20.269 1.832 0.673 0.887 0.923 0.692 CB 1.433 14 residues pruned to eliminate duplicates Z: 13 17.867 1.792 0.770 0.834 1.000 0.583 CB 1.219 Z: 13 20.210 1.856 0.612 0.893 1.000 0.833 CB 1.400 13 residues pruned to eliminate duplicates Z: 13 13.645 1.820 0.629 0.701 0.833 0.583 CB 1.327 12 residues pruned to eliminate duplicates Z: 10 18.310 1.985 0.689 0.882 0.889 0.889 CB 1.481 11 residues pruned to eliminate duplicates Z: 23 24.589 1.805 1.113 0.860 0.909 0.682 CB 1.112 23 residues pruned to eliminate duplicates Z: 12 16.888 1.883 0.875 0.902 0.818 0.818 CB 1.257 12 residues pruned to eliminate duplicates Z: 12 25.126 1.954 0.780 0.872 1.000 0.455 CB 1.587 13 residues pruned to eliminate duplicates Z: 10 15.209 1.773 0.565 0.778 1.000 0.889 CB 1.430 10 residues pruned to eliminate duplicates Z: 20 35.413 1.892 1.092 0.945 1.000 0.737 CB 1.420 21 residues pruned to eliminate duplicates Z: 22 26.941 1.736 0.593 0.907 1.000 0.857 CB 1.510 22 residues pruned to eliminate duplicates Z: 22 31.470 1.915 1.051 0.910 1.000 0.714 CB 1.240 24 residues pruned to eliminate duplicates Z: 23 27.431 1.847 0.808 0.934 1.000 0.909 CB 1.221 23 residues pruned to eliminate duplicates Z: 12 21.804 1.899 0.753 0.876 1.000 0.909 CB 1.435 10 residues pruned to eliminate duplicates Z: 10 16.852 1.774 0.548 0.897 1.000 0.889 CB 1.465 10 residues pruned to eliminate duplicates Z: 12 14.789 1.798 0.403 0.908 1.000 1.000 CB 1.256 12 residues pruned to eliminate duplicates Z: 20 33.509 1.874 1.084 0.929 1.000 0.895 CB 1.378 20 residues pruned to eliminate duplicates Z: 20 19.707 1.829 1.036 0.935 0.895 0.632 CB 0.946 20 residues pruned to eliminate duplicates Z: 19 15.668 1.826 0.589 0.787 0.889 0.611 CB 1.113 19 residues pruned to eliminate duplicates Z: 13 18.828 1.899 0.449 0.791 1.000 0.917 CB 1.530 13 residues pruned to eliminate duplicates Z: 13 20.648 1.960 0.971 0.754 1.000 0.583 CB 1.230 13 residues pruned to eliminate duplicates Z: 20 19.577 1.843 0.503 0.906 1.000 0.842 CB 1.153 20 residues pruned to eliminate duplicates Z: 14 22.284 1.845 0.664 0.885 1.000 0.692 CB 1.453 15 residues pruned to eliminate duplicates Z: 19 27.263 1.855 0.744 0.917 1.000 0.889 CB 1.401 20 residues pruned to eliminate duplicates Z: 22 22.107 1.745 0.395 0.918 1.000 0.857 CB 1.397 22 residues pruned to eliminate duplicates Z: 16 18.931 1.899 0.564 0.862 1.000 0.733 CB 1.208 16 residues pruned to eliminate duplicates Z: 15 20.886 1.769 0.801 0.832 0.929 0.643 CB 1.417 15 residues pruned to eliminate duplicates Z: 12 17.040 1.774 0.903 0.913 0.818 0.727 N 1.316 12 residues pruned to eliminate duplicates Z: 12 21.047 1.908 0.575 0.896 1.000 0.909 CB 1.512 12 residues pruned to eliminate duplicates Z: 21 23.799 1.883 0.408 0.926 1.000 0.950 CB 1.407 21 residues pruned to eliminate duplicates Z: 12 23.371 2.006 0.585 0.882 1.000 0.818 CB 1.605 12 residues pruned to eliminate duplicates Z: 12 20.360 1.880 0.624 0.896 1.000 0.818 CB 1.440 12 residues pruned to eliminate duplicates Z: 12 13.850 1.801 0.862 0.819 0.909 0.636 CB 1.038 12 residues pruned to eliminate duplicates Z: 48 21.365 1.818 0.556 0.608 0.872 0.617 CB 1.139 38 residues pruned to eliminate duplicates Z: 19 24.819 1.848 0.887 0.924 1.000 0.889 CB 1.179 19 residues pruned to eliminate duplicates Z: 21 29.197 1.877 0.770 0.935 0.950 0.800 CB 1.441 21 residues pruned to eliminate duplicates Z: 12 12.017 1.833 0.627 0.856 0.909 0.364 CB 0.986 12 residues pruned to eliminate duplicates Z: 17 29.868 1.893 0.776 0.906 1.000 0.875 CB 1.580 19 residues pruned to eliminate duplicates Z: 13 16.812 1.870 0.627 0.822 0.833 0.583 CB 1.448 10 residues pruned to eliminate duplicates Z: 20 32.382 1.866 0.942 0.927 0.947 0.789 N 1.516 19 residues pruned to eliminate duplicates Z: 11 17.436 1.993 0.535 0.791 0.900 0.800 CA 1.552 11 residues pruned to eliminate duplicates Z: 14 17.633 1.742 0.755 0.876 1.000 0.846 CB 1.162 13 residues pruned to eliminate duplicates Z: 14 17.634 1.915 0.571 0.722 0.846 0.692 CB 1.572 14 residues pruned to eliminate duplicates Z: 8 6.400 1.274 0.582 0.713 1.000 0.571 C 0.989 Z: 8 10.220 1.726 0.705 0.910 1.000 1.000 CB 0.932 8 residues pruned to eliminate duplicates Z: 7 6.399 1.863 0.007 0.772 1.000 0.500 CB 1.095 7 residues pruned to eliminate duplicates Z: 16 12.860 1.803 0.491 0.487 0.867 0.667 CB 1.444 16 residues pruned to eliminate duplicates Z: 12 12.160 1.854 0.894 0.773 0.909 0.636 CB 0.902 12 residues pruned to eliminate duplicates Z: 19 23.054 1.789 0.862 0.891 1.000 0.778 CB 1.173 19 residues pruned to eliminate duplicates Z: 15 16.479 1.817 0.396 0.855 0.929 0.714 CB 1.380 15 residues pruned to eliminate duplicates Z: 21 26.027 1.845 0.876 0.902 0.900 0.650 CB 1.332 21 residues pruned to eliminate duplicates Z: 18 29.772 1.885 0.762 0.908 1.000 0.824 CB 1.545 17 residues pruned to eliminate duplicates Z: 14 18.872 1.770 0.512 0.857 1.000 0.769 CB 1.440 14 residues pruned to eliminate duplicates Z: 22 17.953 1.813 0.311 0.911 1.000 0.905 CB 1.168 22 residues pruned to eliminate duplicates Z: 11 13.412 1.714 1.049 0.899 0.800 0.700 CB 1.079 11 residues pruned to eliminate duplicates Z: 17 27.292 1.880 0.652 0.938 1.000 0.938 CB 1.527 17 residues pruned to eliminate duplicates Z: 11 17.558 1.732 1.228 0.887 1.000 0.500 CB 1.037 11 residues pruned to eliminate duplicates Z: 6 5.693 1.696 1.072 0.837 0.800 0.600 CB 0.677 Z: 15 17.346 1.889 0.718 0.866 1.000 0.857 CB 1.046 15 residues pruned to eliminate duplicates Z: 11 3.352 1.489 0.480 0.175 0.600 0.300 N 1.187 11 residues pruned to eliminate duplicates Z: 14 9.006 1.701 0.656 0.677 0.692 0.308 CB 1.089 14 residues pruned to eliminate duplicates Z: 19 15.086 1.834 0.415 0.800 0.944 0.722 CB 1.116 19 residues pruned to eliminate duplicates Z: 17 16.616 1.881 0.469 0.671 0.875 0.688 CB 1.466 17 residues pruned to eliminate duplicates Z: 6 6.782 1.816 0.285 0.715 0.800 0.600 O 1.337 6 residues pruned to eliminate duplicates Z: 13 8.095 1.734 0.080 0.730 0.917 0.750 CB 1.107 Z: 13 22.522 1.987 0.794 0.849 1.000 0.667 CB 1.352 13 residues pruned to eliminate duplicates Z: 8 4.789 1.728 0.473 0.808 1.000 0.571 CB 0.544 Z: 13 18.773 1.827 0.432 0.890 1.000 0.833 CB 1.491 13 residues pruned to eliminate duplicates Z: 12 16.412 1.840 0.878 0.723 0.909 0.364 N 1.288 12 residues pruned to eliminate duplicates Z: 21 30.967 1.865 0.804 0.909 0.950 0.700 CB 1.538 21 residues pruned to eliminate duplicates Z: 13 22.028 1.951 0.687 0.772 1.000 0.750 CB 1.519 13 residues pruned to eliminate duplicates Z: 19 26.703 1.841 0.698 0.903 0.944 0.833 N 1.520 19 residues pruned to eliminate duplicates Z: 23 27.443 1.788 1.099 0.922 1.000 0.864 CB 1.096 23 residues pruned to eliminate duplicates Z: 12 12.389 1.753 0.486 0.825 0.909 0.818 CB 1.190 12 residues pruned to eliminate duplicates Z: 6 3.154 1.536 0.493 0.694 0.800 0.800 CB 0.643 Z: 11 19.846 1.804 0.945 0.863 1.000 0.900 CB 1.313 11 residues pruned to eliminate duplicates Z: 16 13.935 1.873 0.233 0.833 1.000 0.733 CB 1.169 16 residues pruned to eliminate duplicates Z: 11 14.527 1.991 0.341 0.908 1.000 1.000 CB 1.221 11 residues pruned to eliminate duplicates Z: 17 31.885 1.873 0.991 0.945 1.000 0.875 CB 1.480 17 residues pruned to eliminate duplicates Z: 12 15.519 1.890 0.781 0.794 0.909 0.545 CB 1.181 12 residues pruned to eliminate duplicates Z: 7 2.871 1.500 0.393 0.246 1.000 0.500 CB 0.752 7 residues pruned to eliminate duplicates Z: 22 22.467 1.770 0.947 0.900 0.952 0.571 CB 1.067 21 residues pruned to eliminate duplicates Z: 12 12.476 1.855 0.112 0.887 1.000 1.000 CB 1.314 11 residues pruned to eliminate duplicates Z: 12 17.720 1.857 0.558 0.824 0.909 0.909 CB 1.534 12 residues pruned to eliminate duplicates Z: 11 9.030 1.458 0.587 0.865 1.000 0.900 CB 0.905 10 residues pruned to eliminate duplicates Z: 13 17.867 1.951 0.598 0.807 0.917 0.750 CB 1.380 13 residues pruned to eliminate duplicates Z: 11 21.866 1.910 0.814 0.867 1.000 0.800 CB 1.460 11 residues pruned to eliminate duplicates Z: 22 20.085 1.827 0.563 0.908 1.000 0.952 CB 1.090 22 residues pruned to eliminate duplicates Z: 18 26.575 1.836 0.697 0.935 1.000 0.882 CB 1.443 18 residues pruned to eliminate duplicates Z: 24 23.849 1.787 0.702 0.876 1.000 0.783 CB 1.188 24 residues pruned to eliminate duplicates Z: 12 6.866 1.722 0.349 0.612 0.727 0.636 CB 1.102 8 residues pruned to eliminate duplicates Z: 17 9.406 1.714 0.460 0.638 0.750 0.500 CB 1.101 11 residues pruned to eliminate duplicates 7 1.622 1.679 0.079 0.246 0.833 0.333 CB 0.587 ? Z: 11 13.335 1.937 0.703 0.833 1.000 0.700 CB 0.959 11 residues pruned to eliminate duplicates Z: 65 25.006 1.813 0.544 0.661 0.828 0.547 CB 1.162 70 residues pruned to eliminate duplicates Z: 8 4.525 1.419 0.701 0.255 0.857 0.714 CB 1.095 Z: 13 20.647 1.931 0.836 0.784 0.917 0.750 CB 1.429 14 residues pruned to eliminate duplicates Z: 17 15.968 1.852 0.365 0.894 1.000 0.875 CB 1.132 17 residues pruned to eliminate duplicates Z: 6 13.113 1.812 0.600 0.840 1.000 0.800 CB 1.509 6 residues pruned to eliminate duplicates Z: 23 28.235 1.816 0.961 0.944 1.000 0.818 CB 1.171 23 residues pruned to eliminate duplicates Z: 11 21.481 1.754 1.067 0.827 1.000 0.700 CB 1.412 11 residues pruned to eliminate duplicates Z: 22 31.434 1.800 0.806 0.926 1.000 0.905 CB 1.479 22 residues pruned to eliminate duplicates Z: 7 2.913 1.465 0.641 0.781 0.833 0.667 CB 0.463 Z: 55 26.349 1.869 0.603 0.655 0.815 0.537 CB 1.272 54 residues pruned to eliminate duplicates Z: 13 17.714 1.868 0.699 0.861 0.833 0.750 CB 1.420 13 residues pruned to eliminate duplicates Z: 12 11.914 1.817 0.815 0.779 0.727 0.545 CB 1.171 12 residues pruned to eliminate duplicates Z: 11 18.779 1.734 0.818 0.905 1.000 1.000 CB 1.342 11 residues pruned to eliminate duplicates Z: 9 7.391 1.683 0.389 0.892 1.000 0.875 CB 0.803 Z: 6 3.643 1.622 0.409 0.746 0.800 0.400 CB 0.715 Z: 12 14.080 1.796 0.701 0.642 0.909 0.727 CB 1.338 12 residues pruned to eliminate duplicates Z: 13 15.424 1.810 0.755 0.835 1.000 0.750 CB 1.050 13 residues pruned to eliminate duplicates 6 1.740 1.256 0.284 0.296 0.800 0.600 CB 0.758 ? Z: 8 20.129 1.829 0.947 0.876 1.000 0.714 CA 1.552 8 residues pruned to eliminate duplicates Z: 9 7.752 1.489 0.755 0.786 0.875 0.750 CB 0.932 9 residues pruned to eliminate duplicates Z: 15 5.779 1.678 0.679 0.488 0.786 0.500 CB 0.706 15 residues pruned to eliminate duplicates Z: 16 18.832 1.918 0.563 0.882 1.000 0.933 CB 1.174 16 residues pruned to eliminate duplicates Z: 13 14.540 1.879 0.935 0.816 0.917 0.667 CB 0.957 22 residues pruned to eliminate duplicates Z: 22 26.198 1.839 1.005 0.923 0.952 0.619 CB 1.144 22 residues pruned to eliminate duplicates Z: 13 3.682 1.495 0.541 0.347 0.750 0.500 CB 0.726 13 residues pruned to eliminate duplicates Z: 8 3.093 1.536 0.353 0.326 0.857 0.571 CB 0.795 Z: 21 17.617 1.739 0.616 0.770 0.850 0.750 CB 1.299 21 residues pruned to eliminate duplicates Z: 13 20.869 1.950 0.525 0.890 0.917 0.833 CB 1.590 13 residues pruned to eliminate duplicates Z: 22 22.746 1.831 1.002 0.940 0.952 0.762 CB 0.987 22 residues pruned to eliminate duplicates Z: 14 16.901 1.779 0.409 0.883 1.000 0.846 CB 1.352 14 residues pruned to eliminate duplicates Z: 10 13.003 1.867 0.711 0.878 0.889 0.889 CB 1.108 10 residues pruned to eliminate duplicates Z: 7 7.403 1.906 0.416 0.899 1.000 1.000 CB 0.801 8 residues pruned to eliminate duplicates Z: 8 13.098 1.727 0.607 0.782 1.000 0.429 N 1.391 8 residues pruned to eliminate duplicates Z: 10 8.237 1.513 0.499 0.854 0.889 0.778 CB 1.007 Z: 12 13.383 1.873 0.568 0.853 1.000 0.818 CB 1.015 12 residues pruned to eliminate duplicates Z: 6 2.222 1.604 -0.039 0.424 1.000 0.800 CB 0.698 6 residues pruned to eliminate duplicates Z: 14 13.922 1.757 0.508 0.799 0.923 0.692 CB 1.215 14 residues pruned to eliminate duplicates Z: 13 9.248 1.618 0.260 0.643 1.000 0.750 CB 1.145 13 residues pruned to eliminate duplicates Z: 16 14.106 1.864 0.640 0.839 1.000 0.800 CB 0.890 16 residues pruned to eliminate duplicates Z: 10 8.671 1.676 0.387 0.614 0.889 0.778 N 1.255 10 residues pruned to eliminate duplicates Z: 14 20.851 1.852 0.506 0.777 1.000 0.769 CB 1.624 14 residues pruned to eliminate duplicates Z: 15 11.215 1.834 0.447 0.574 0.786 0.714 CB 1.339 15 residues pruned to eliminate duplicates Z: 22 20.097 1.812 0.710 0.676 0.952 0.619 CB 1.263 22 residues pruned to eliminate duplicates Z: 11 9.785 1.841 0.690 0.842 0.800 0.700 CB 0.926 11 residues pruned to eliminate duplicates Z: 6 4.514 1.880 0.625 0.863 1.000 0.800 CB 0.485 5 residues pruned to eliminate duplicates Z: 7 2.681 1.418 0.191 0.391 0.667 0.500 N 1.091 Z: 13 20.263 1.794 0.788 0.911 1.000 1.000 CB 1.292 13 residues pruned to eliminate duplicates Z: 15 6.459 1.567 0.725 0.474 0.714 0.500 CB 0.918 15 residues pruned to eliminate duplicates Z: 13 16.169 1.699 0.710 0.862 1.000 0.667 CB 1.180 13 residues pruned to eliminate duplicates Z: 11 22.146 1.788 0.982 0.878 1.000 0.900 CB 1.434 11 residues pruned to eliminate duplicates Z: 14 22.419 1.757 0.839 0.870 1.000 0.769 CB 1.405 13 residues pruned to eliminate duplicates Z: 12 18.055 1.875 0.642 0.894 0.909 0.909 CB 1.395 12 residues pruned to eliminate duplicates Z: 6 3.089 1.633 0.494 0.296 0.600 0.400 N 1.185 Z: 11 7.457 1.593 0.188 0.848 0.900 0.500 CB 1.027 11 residues pruned to eliminate duplicates Z: 19 32.231 1.850 0.988 0.931 1.000 0.778 CB 1.443 19 residues pruned to eliminate duplicates Z: 19 23.801 1.827 0.626 0.926 1.000 0.944 CB 1.325 19 residues pruned to eliminate duplicates Z: 13 15.482 1.789 0.810 0.853 0.917 0.583 CB 1.113 13 residues pruned to eliminate duplicates Z: 6 5.636 1.408 0.476 0.652 1.000 0.600 C 1.052 Z: 12 9.649 1.698 0.749 0.699 0.636 0.182 CB 1.284 12 residues pruned to eliminate duplicates Z: 12 20.476 1.651 0.741 0.928 1.000 0.909 O 1.505 12 residues pruned to eliminate duplicates Z: 6 3.765 1.661 0.337 0.296 0.800 0.400 CB 1.191 Z: 7 4.709 1.919 0.267 0.867 1.000 1.000 CB 0.579 Z: 9 2.325 1.291 0.820 0.313 0.750 0.500 CB 0.574 Z: 8 11.684 1.770 0.383 0.839 1.000 0.714 CB 1.347 8 residues pruned to eliminate duplicates Z: 13 17.853 1.811 0.723 0.776 1.000 0.667 CB 1.295 13 residues pruned to eliminate duplicates Z: 10 7.955 1.578 0.213 0.908 1.000 0.889 CB 0.984 10 residues pruned to eliminate duplicates Z: 6 4.743 1.727 0.273 0.809 0.800 0.800 CB 0.921 6 residues pruned to eliminate duplicates Z: 9 2.686 1.473 0.343 0.780 1.000 0.750 CB 0.375 7 residues pruned to eliminate duplicates Z: 12 3.982 1.365 0.484 0.295 0.727 0.364 CB 1.026 Z: 12 11.702 1.788 0.397 0.637 1.000 0.909 CB 1.243 12 residues pruned to eliminate duplicates Z: 6 2.234 1.637 0.160 0.649 1.000 0.600 CB 0.458 Z: 8 4.615 1.756 0.774 0.480 0.714 0.714 CB 0.800 8 residues pruned to eliminate duplicates Z: 6 5.582 1.775 0.307 0.631 0.800 0.600 CB 1.189 6 residues pruned to eliminate duplicates Z: 18 26.134 1.863 0.686 0.912 0.941 0.882 CB 1.519 18 residues pruned to eliminate duplicates Z: 13 21.399 1.814 0.907 0.794 1.000 0.667 CB 1.380 13 residues pruned to eliminate duplicates Z: 16 9.184 1.677 0.674 0.466 0.800 0.600 CB 1.093 16 residues pruned to eliminate duplicates Z: 18 4.032 1.556 0.498 0.361 0.647 0.412 CB 0.753 6 residues pruned to eliminate duplicates Z: 15 16.844 1.758 0.416 0.850 1.000 0.714 CB 1.339 15 residues pruned to eliminate duplicates Z: 18 11.657 1.680 0.718 0.484 0.941 0.588 CB 1.057 9 residues pruned to eliminate duplicates Z: 8 2.397 1.463 0.530 0.365 0.714 0.143 CB 0.655 Z: 25 14.824 1.732 0.519 0.563 0.875 0.667 CB 1.237 25 residues pruned to eliminate duplicates Z: 17 17.725 1.724 0.440 0.889 1.000 0.812 CB 1.285 17 residues pruned to eliminate duplicates Z: 10 2.766 1.275 0.634 0.334 0.667 0.444 CB 0.796 Using tripeptides from previous cycle as seeds Z: 8 10.453 1.803 0.527 0.722 0.857 0.429 CB 1.370 8 residues pruned to eliminate duplicates Z: 9 11.436 1.610 0.521 0.838 1.000 0.375 CB 1.235 9 residues pruned to eliminate duplicates Z: 8 9.133 1.710 0.360 0.822 0.857 0.714 N 1.310 8 residues pruned to eliminate duplicates Z: 8 11.247 1.689 0.429 0.856 1.000 0.714 CA 1.300 8 residues pruned to eliminate duplicates Z: 8 8.224 1.788 0.548 0.635 0.857 0.571 CB 1.155 8 residues pruned to eliminate duplicates Z: 9 8.947 1.702 0.624 0.632 0.875 0.625 CB 1.155 9 residues pruned to eliminate duplicates Z: 59 27.364 1.858 0.597 0.626 0.879 0.586 CB 1.223 61 residues pruned to eliminate duplicates Z: 17 17.031 1.923 0.321 0.891 1.000 0.875 CB 1.205 17 residues pruned to eliminate duplicates Z: 18 17.225 1.888 0.453 0.818 0.941 0.824 CB 1.228 18 residues pruned to eliminate duplicates Z: 28 16.661 1.818 0.592 0.662 0.889 0.593 CB 1.073 28 residues pruned to eliminate duplicates Z: 25 20.990 1.871 0.730 0.790 0.875 0.625 CB 1.173 25 residues pruned to eliminate duplicates Z: 17 22.309 1.926 0.648 0.882 1.000 0.750 CB 1.272 17 residues pruned to eliminate duplicates Z: 27 19.311 1.853 0.576 0.764 0.885 0.692 CB 1.160 27 residues pruned to eliminate duplicates Z: 16 15.369 1.928 0.395 0.844 0.933 0.933 CB 1.177 16 residues pruned to eliminate duplicates Z: 18 15.999 1.871 0.495 0.839 0.941 0.824 CB 1.100 18 residues pruned to eliminate duplicates Z: 26 16.124 1.837 0.537 0.772 0.880 0.640 CB 1.020 26 residues pruned to eliminate duplicates Z: 25 20.900 1.882 0.727 0.794 0.917 0.583 CB 1.107 25 residues pruned to eliminate duplicates Z: 28 19.800 1.795 0.623 0.727 0.926 0.630 CB 1.151 28 residues pruned to eliminate duplicates Z: 22 15.148 1.590 0.804 0.664 0.857 0.619 CB 1.155 22 residues pruned to eliminate duplicates Z: 13 17.199 1.567 0.906 0.855 1.000 0.750 CB 1.227 13 residues pruned to eliminate duplicates Z: 28 24.976 1.819 0.661 0.792 0.963 0.778 CB 1.279 28 residues pruned to eliminate duplicates Z: 20 17.103 1.826 0.442 0.810 0.947 0.895 CB 1.200 20 residues pruned to eliminate duplicates Z: 48 29.119 1.763 0.590 0.761 0.936 0.745 CB 1.284 46 residues pruned to eliminate duplicates Z: 13 15.115 1.614 0.604 0.822 0.917 0.667 CB 1.390 13 residues pruned to eliminate duplicates Z: 11 10.559 1.732 0.626 0.747 0.900 0.400 CB 1.056 11 residues pruned to eliminate duplicates Z: 11 11.040 1.716 0.617 0.713 0.800 0.700 CB 1.296 11 residues pruned to eliminate duplicates Z: 31 27.480 1.838 0.486 0.853 0.967 0.767 CB 1.404 31 residues pruned to eliminate duplicates Z: 26 16.659 1.698 0.489 0.613 0.880 0.520 CB 1.345 26 residues pruned to eliminate duplicates Z: 14 21.324 1.804 0.746 0.903 0.923 0.923 CB 1.450 13 residues pruned to eliminate duplicates Z: 16 18.226 1.683 0.759 0.889 0.933 0.800 CB 1.226 16 residues pruned to eliminate duplicates Z: 13 25.228 1.938 0.795 0.905 1.000 1.000 CB 1.490 13 residues pruned to eliminate duplicates Z: 13 23.063 1.950 0.649 0.927 1.000 0.917 CB 1.450 13 residues pruned to eliminate duplicates Z: 14 20.545 1.832 0.671 0.862 1.000 0.923 CB 1.367 14 residues pruned to eliminate duplicates Z: 13 20.459 1.904 0.729 0.821 1.000 0.917 CB 1.358 13 residues pruned to eliminate duplicates Z: 14 22.108 1.858 0.648 0.895 1.000 0.846 CB 1.436 14 residues pruned to eliminate duplicates Z: 14 18.650 1.893 0.492 0.902 0.923 0.846 CB 1.415 14 residues pruned to eliminate duplicates Z: 13 24.334 1.936 0.688 0.913 1.000 0.833 CB 1.522 13 residues pruned to eliminate duplicates Z: 14 16.087 1.850 0.734 0.742 0.769 0.692 CB 1.456 14 residues pruned to eliminate duplicates Z: 13 22.589 1.884 0.722 0.886 1.000 0.750 CB 1.451 13 residues pruned to eliminate duplicates Z: 13 20.009 1.882 0.736 0.913 0.917 0.833 CB 1.365 13 residues pruned to eliminate duplicates Z: 11 15.984 1.868 0.549 0.787 1.000 0.700 CB 1.357 11 residues pruned to eliminate duplicates Z: 21 24.697 1.864 0.587 0.864 0.950 0.650 CB 1.440 21 residues pruned to eliminate duplicates Z: 30 26.331 1.842 0.629 0.794 0.862 0.586 CB 1.461 30 residues pruned to eliminate duplicates Z: 35 31.208 1.804 0.713 0.757 0.912 0.676 CB 1.511 35 residues pruned to eliminate duplicates Z: 35 25.524 1.753 0.601 0.755 0.912 0.529 CB 1.363 35 residues pruned to eliminate duplicates Z: 37 27.702 1.773 0.546 0.743 0.972 0.694 CB 1.394 37 residues pruned to eliminate duplicates Z: 20 27.638 1.812 0.958 0.848 0.947 0.632 CB 1.400 20 residues pruned to eliminate duplicates Z: 40 26.714 1.730 0.556 0.744 0.974 0.692 CB 1.311 40 residues pruned to eliminate duplicates Z: 29 23.314 1.778 0.734 0.725 0.929 0.536 CB 1.257 29 residues pruned to eliminate duplicates Z: 21 28.266 1.846 0.811 0.881 0.950 0.650 CB 1.442 21 residues pruned to eliminate duplicates Z: 30 30.478 1.832 0.759 0.787 0.931 0.690 CB 1.466 30 residues pruned to eliminate duplicates Z: 34 27.934 1.820 0.733 0.724 0.909 0.515 CB 1.385 34 residues pruned to eliminate duplicates Z: 22 31.447 1.868 0.903 0.806 1.000 0.810 CB 1.478 22 residues pruned to eliminate duplicates Z: 22 30.718 1.865 0.778 0.834 1.000 0.905 CB 1.515 22 residues pruned to eliminate duplicates Z: 33 33.409 1.827 0.703 0.794 1.000 0.656 CB 1.466 33 residues pruned to eliminate duplicates Z: 21 32.922 1.877 0.895 0.871 1.000 0.700 CB 1.509 21 residues pruned to eliminate duplicates Z: 22 30.847 1.846 0.782 0.850 1.000 0.714 CB 1.516 22 residues pruned to eliminate duplicates Z: 18 30.185 1.887 0.833 0.882 1.000 0.706 N 1.531 18 residues pruned to eliminate duplicates Z: 19 26.927 1.874 0.916 0.865 0.889 0.778 N 1.457 19 residues pruned to eliminate duplicates Z: 35 27.746 1.819 0.595 0.784 0.912 0.794 CB 1.400 35 residues pruned to eliminate duplicates Z: 18 20.250 1.801 0.592 0.689 1.000 0.765 CB 1.440 18 residues pruned to eliminate duplicates Z: 6 2.352 1.625 0.559 0.226 0.800 0.600 CB 0.715 6 residues pruned to eliminate duplicates Z: 20 15.900 1.769 0.419 0.685 1.000 0.684 CB 1.226 20 residues pruned to eliminate duplicates Z: 18 16.448 1.836 0.424 0.656 0.941 0.647 CB 1.402 18 residues pruned to eliminate duplicates Z: 20 16.273 1.773 0.633 0.596 0.947 0.737 CB 1.241 20 residues pruned to eliminate duplicates Z: 25 12.619 1.704 0.405 0.590 0.875 0.792 CB 1.128 25 residues pruned to eliminate duplicates Z: 20 16.994 1.741 0.596 0.641 0.947 0.684 CB 1.297 20 residues pruned to eliminate duplicates Z: 15 19.549 1.849 0.546 0.764 1.000 0.857 CB 1.446 15 residues pruned to eliminate duplicates Z: 21 16.562 1.779 0.719 0.626 0.850 0.700 CB 1.265 21 residues pruned to eliminate duplicates Z: 24 16.022 1.794 0.778 0.560 0.913 0.609 CB 1.082 24 residues pruned to eliminate duplicates Z: 17 18.320 1.660 0.673 0.719 1.000 0.875 CB 1.353 16 residues pruned to eliminate duplicates Z: 14 18.728 1.831 0.657 0.833 0.923 0.692 CB 1.391 14 residues pruned to eliminate duplicates Z: 16 16.438 1.780 0.521 0.727 1.000 0.800 CB 1.278 16 residues pruned to eliminate duplicates Z: 14 19.786 1.884 0.514 0.827 1.000 0.846 CB 1.449 14 residues pruned to eliminate duplicates Z: 19 17.383 1.794 0.513 0.651 1.000 0.889 CB 1.312 19 residues pruned to eliminate duplicates Z: 17 15.097 1.788 0.453 0.678 0.938 0.812 CB 1.316 25 residues pruned to eliminate duplicates Z: 20 15.191 1.805 0.519 0.655 0.947 0.789 CB 1.161 20 residues pruned to eliminate duplicates Z: 19 17.307 1.793 0.472 0.660 1.000 0.778 CB 1.332 19 residues pruned to eliminate duplicates Z: 25 18.830 1.772 0.599 0.609 1.000 0.750 CB 1.223 25 residues pruned to eliminate duplicates Z: 19 11.884 1.734 0.499 0.496 0.889 0.556 CB 1.217 19 residues pruned to eliminate duplicates Z: 19 18.475 1.787 0.542 0.643 1.000 0.667 CB 1.382 19 residues pruned to eliminate duplicates Z: 8 3.752 1.692 0.120 0.343 1.000 0.429 CB 0.888 Z: 12 8.159 1.586 0.190 0.819 1.000 0.727 CB 0.989 10 residues pruned to eliminate duplicates Z: 11 10.628 1.657 0.417 0.902 1.000 0.900 CB 1.021 12 residues pruned to eliminate duplicates Z: 10 11.151 1.685 0.374 0.898 1.000 0.889 CB 1.149 10 residues pruned to eliminate duplicates Z: 11 11.737 1.609 0.380 0.877 1.000 0.600 CB 1.214 10 residues pruned to eliminate duplicates Z: 12 10.173 1.465 0.228 0.902 1.000 0.818 CB 1.216 12 residues pruned to eliminate duplicates Z: 13 9.701 1.624 0.354 0.733 0.917 0.667 CB 1.127 13 residues pruned to eliminate duplicates Z: 29 13.723 1.687 0.433 0.622 0.857 0.536 CB 1.115 41 residues pruned to eliminate duplicates Z: 49 16.092 1.692 0.317 0.558 0.896 0.542 CB 1.099 39 residues pruned to eliminate duplicates Z: 11 8.473 1.670 0.415 0.808 0.800 0.500 CB 1.084 11 residues pruned to eliminate duplicates Z: 21 9.918 1.656 0.384 0.494 0.800 0.650 CB 1.217 21 residues pruned to eliminate duplicates Z: 14 9.179 1.680 0.233 0.692 0.923 0.692 CB 1.118 14 residues pruned to eliminate duplicates Z: 16 8.912 1.688 0.409 0.710 0.800 0.467 CB 0.999 16 residues pruned to eliminate duplicates Z: 46 23.857 1.736 0.537 0.677 0.889 0.667 CB 1.274 45 residues pruned to eliminate duplicates Z: 6 7.753 1.689 0.515 0.854 1.000 0.600 CB 1.001 6 residues pruned to eliminate duplicates Z: 34 25.981 1.794 0.698 0.764 0.909 0.758 CB 1.292 34 residues pruned to eliminate duplicates Z: 49 30.918 1.797 0.555 0.756 0.979 0.750 CB 1.299 47 residues pruned to eliminate duplicates Z: 19 30.106 1.867 0.782 0.919 1.000 1.000 CB 1.503 19 residues pruned to eliminate duplicates Z: 49 24.210 1.753 0.442 0.719 0.896 0.688 CB 1.266 49 residues pruned to eliminate duplicates Z: 38 22.424 1.724 0.684 0.661 0.865 0.541 CB 1.265 38 residues pruned to eliminate duplicates Z: 29 22.468 1.684 0.787 0.677 0.929 0.464 N 1.291 29 residues pruned to eliminate duplicates Z: 49 25.804 1.797 0.535 0.729 0.875 0.604 CB 1.256 49 residues pruned to eliminate duplicates Z: 36 24.013 1.767 0.600 0.752 0.943 0.657 CB 1.216 36 residues pruned to eliminate duplicates Z: 32 25.761 1.777 0.790 0.747 0.935 0.677 CB 1.247 32 residues pruned to eliminate duplicates Z: 33 25.481 1.787 0.687 0.763 0.906 0.625 CB 1.305 33 residues pruned to eliminate duplicates Z: 35 24.803 1.754 0.747 0.683 0.912 0.529 CB 1.287 35 residues pruned to eliminate duplicates Z: 45 25.229 1.795 0.562 0.697 0.909 0.682 CB 1.246 45 residues pruned to eliminate duplicates Z: 21 26.635 1.859 0.970 0.800 0.950 0.650 CB 1.316 21 residues pruned to eliminate duplicates Z: 34 24.384 1.759 0.685 0.772 0.939 0.697 CB 1.198 34 residues pruned to eliminate duplicates Z: 33 21.971 1.741 0.810 0.659 0.875 0.688 CB 1.215 33 residues pruned to eliminate duplicates Z: 36 20.113 1.738 0.645 0.721 0.857 0.571 CB 1.136 36 residues pruned to eliminate duplicates Z: 31 26.906 1.759 0.788 0.846 0.967 0.733 CB 1.200 31 residues pruned to eliminate duplicates Z: 54 28.356 1.731 0.557 0.710 0.943 0.679 CB 1.267 54 residues pruned to eliminate duplicates Z: 24 19.097 1.894 0.526 0.646 0.913 0.652 CB 1.317 36 residues pruned to eliminate duplicates Z: 18 16.775 1.877 0.491 0.629 1.000 0.647 CB 1.288 Z: 12 18.312 1.962 0.562 0.846 0.909 0.818 N 1.473 17 residues pruned to eliminate duplicates Z: 14 18.451 1.836 0.488 0.829 1.000 0.846 CB 1.410 14 residues pruned to eliminate duplicates Z: 17 14.731 1.968 0.473 0.540 0.875 0.562 CB 1.396 17 residues pruned to eliminate duplicates Z: 22 11.453 1.776 0.513 0.475 0.762 0.476 CB 1.252 22 residues pruned to eliminate duplicates Z: 32 22.902 1.931 0.593 0.665 0.871 0.742 CB 1.319 58 residues pruned to eliminate duplicates Z: 12 17.124 1.989 0.465 0.804 1.000 0.545 CB 1.359 Z: 13 21.667 1.948 0.539 0.828 1.000 0.917 CB 1.572 12 residues pruned to eliminate duplicates Z: 12 23.952 2.035 0.684 0.805 1.000 0.727 CB 1.614 11 residues pruned to eliminate duplicates Z: 14 23.891 1.942 0.679 0.837 1.000 0.846 CB 1.520 14 residues pruned to eliminate duplicates Z: 17 18.289 1.739 0.719 0.800 0.875 0.812 CB 1.344 17 residues pruned to eliminate duplicates Z: 14 20.667 1.904 0.386 0.930 1.000 0.923 CB 1.520 14 residues pruned to eliminate duplicates Z: 48 30.200 1.811 0.587 0.780 0.936 0.723 CB 1.278 49 residues pruned to eliminate duplicates Z: 13 15.989 1.887 0.205 0.937 1.000 1.000 CB 1.413 13 residues pruned to eliminate duplicates Z: 13 14.539 1.818 0.567 0.762 0.833 0.833 CB 1.401 13 residues pruned to eliminate duplicates Z: 12 18.084 1.952 0.630 0.847 0.909 0.909 CB 1.399 10 residues pruned to eliminate duplicates Z: 14 19.207 1.892 0.547 0.887 0.923 0.769 CB 1.422 15 residues pruned to eliminate duplicates Z: 16 17.263 1.799 0.455 0.895 0.933 0.800 CB 1.308 16 residues pruned to eliminate duplicates Z: 12 17.399 1.941 0.367 0.876 1.000 0.909 CB 1.437 12 residues pruned to eliminate duplicates Z: 12 20.349 1.999 0.446 0.910 1.000 0.818 CB 1.505 12 residues pruned to eliminate duplicates Z: 13 18.263 1.878 0.700 0.781 0.917 0.833 CB 1.405 13 residues pruned to eliminate duplicates Z: 36 31.146 1.852 0.836 0.805 0.914 0.686 CB 1.298 36 residues pruned to eliminate duplicates Z: 15 20.474 1.819 0.572 0.898 1.000 0.929 CB 1.369 15 residues pruned to eliminate duplicates Z: 13 16.163 1.779 0.725 0.850 0.917 0.667 CB 1.228 11 residues pruned to eliminate duplicates Z: 6 2.399 1.292 0.715 0.273 0.800 0.600 CB 0.783 Z: 15 15.890 1.849 0.263 0.775 0.929 0.714 O 1.536 15 residues pruned to eliminate duplicates Z: 15 14.699 1.875 0.188 0.588 1.000 0.571 CB 1.620 18 residues pruned to eliminate duplicates Z: 14 22.157 1.840 0.740 0.806 1.000 0.615 CB 1.470 14 residues pruned to eliminate duplicates Z: 14 22.890 1.868 0.842 0.868 0.923 0.769 CB 1.462 18 residues pruned to eliminate duplicates Z: 13 24.892 1.911 0.918 0.860 0.917 0.500 CB 1.573 13 residues pruned to eliminate duplicates Z: 13 25.773 1.861 0.923 0.890 1.000 0.750 CB 1.496 14 residues pruned to eliminate duplicates Z: 12 27.473 1.921 1.023 0.905 1.000 0.727 CB 1.517 13 residues pruned to eliminate duplicates Z: 13 23.733 1.815 1.029 0.889 1.000 0.333 CB 1.339 13 residues pruned to eliminate duplicates Z: 35 23.182 1.855 0.629 0.607 0.912 0.529 CB 1.303 30 residues pruned to eliminate duplicates Z: 15 17.522 1.674 0.977 0.804 0.857 0.357 CB 1.266 15 residues pruned to eliminate duplicates Z: 18 22.064 1.832 0.821 0.642 0.941 0.588 CB 1.492 18 residues pruned to eliminate duplicates Z: 17 22.149 1.857 0.740 0.678 1.000 0.500 CB 1.455 17 residues pruned to eliminate duplicates Z: 19 19.507 1.787 0.750 0.637 0.944 0.833 CB 1.370 19 residues pruned to eliminate duplicates Z: 34 22.560 1.841 0.515 0.618 0.939 0.545 CB 1.340 38 residues pruned to eliminate duplicates Z: 15 17.505 1.772 0.505 0.796 1.000 0.786 CB 1.353 15 residues pruned to eliminate duplicates Z: 42 18.794 1.858 0.535 0.573 0.805 0.537 CB 1.191 42 residues pruned to eliminate duplicates Z: 14 20.324 1.974 0.786 0.702 0.923 0.769 CB 1.441 14 residues pruned to eliminate duplicates Z: 32 24.450 1.902 0.652 0.713 0.903 0.613 CB 1.275 32 residues pruned to eliminate duplicates Z: 30 21.491 1.920 0.554 0.726 0.931 0.655 CB 1.172 30 residues pruned to eliminate duplicates Z: 16 15.370 1.936 0.647 0.644 0.800 0.600 CB 1.360 16 residues pruned to eliminate duplicates Z: 27 19.688 1.850 0.575 0.595 1.000 0.654 CB 1.210 27 residues pruned to eliminate duplicates Z: 41 24.887 1.867 0.625 0.671 0.900 0.675 CB 1.231 41 residues pruned to eliminate duplicates Z: 16 15.294 1.810 0.730 0.530 0.933 0.400 CB 1.313 16 residues pruned to eliminate duplicates Z: 14 21.908 1.917 0.850 0.667 1.000 0.692 CB 1.469 14 residues pruned to eliminate duplicates Z: 21 26.714 2.024 0.724 0.753 0.950 0.700 CB 1.438 21 residues pruned to eliminate duplicates Z: 22 21.000 1.934 0.706 0.692 0.857 0.810 CB 1.359 22 residues pruned to eliminate duplicates Z: 24 16.510 1.762 0.834 0.507 0.783 0.478 CB 1.352 25 residues pruned to eliminate duplicates Z: 13 23.240 1.915 0.767 0.867 1.000 0.750 CB 1.451 13 residues pruned to eliminate duplicates Z: 12 19.283 1.951 0.612 0.823 0.909 0.727 CB 1.537 12 residues pruned to eliminate duplicates Z: 31 23.058 1.907 0.541 0.672 0.900 0.800 CB 1.358 31 residues pruned to eliminate duplicates Z: 27 21.422 1.870 0.620 0.584 0.923 0.692 CB 1.386 27 residues pruned to eliminate duplicates Z: 23 22.770 1.963 0.675 0.687 0.909 0.591 CB 1.367 23 residues pruned to eliminate duplicates Z: 30 22.270 1.874 0.637 0.624 0.862 0.655 CB 1.392 30 residues pruned to eliminate duplicates Z: 24 28.921 1.982 0.750 0.740 0.957 0.826 CB 1.466 24 residues pruned to eliminate duplicates Z: 15 22.821 1.937 0.912 0.665 0.929 0.571 CB 1.522 15 residues pruned to eliminate duplicates Z: 27 26.915 1.921 0.763 0.678 0.885 0.615 CB 1.496 27 residues pruned to eliminate duplicates Z: 30 20.657 1.843 0.698 0.613 0.862 0.552 CB 1.277 30 residues pruned to eliminate duplicates Z: 23 31.428 1.961 0.827 0.781 0.955 0.636 CB 1.529 23 residues pruned to eliminate duplicates Z: 9 19.585 2.122 0.691 0.900 0.875 0.750 CB 1.575 9 residues pruned to eliminate duplicates Z: 25 27.865 1.963 0.900 0.694 0.917 0.708 CB 1.393 25 residues pruned to eliminate duplicates Z: 23 28.946 2.001 0.912 0.765 0.909 0.636 CB 1.403 23 residues pruned to eliminate duplicates Z: 24 24.952 1.947 0.852 0.715 0.913 0.652 CB 1.301 24 residues pruned to eliminate duplicates Z: 29 25.485 1.912 0.828 0.676 0.893 0.571 CB 1.312 29 residues pruned to eliminate duplicates Z: 22 23.551 1.799 0.754 0.903 1.000 0.714 CB 1.161 22 residues pruned to eliminate duplicates Z: 30 24.989 1.840 0.734 0.675 0.931 0.414 CB 1.329 30 residues pruned to eliminate duplicates Z: 34 32.508 1.925 0.818 0.837 0.970 0.758 CB 1.247 34 residues pruned to eliminate duplicates Z: 22 22.589 1.845 0.846 0.802 0.952 0.714 CB 1.167 22 residues pruned to eliminate duplicates Z: 34 29.093 1.922 0.830 0.795 0.909 0.606 CB 1.224 34 residues pruned to eliminate duplicates Z: 49 28.069 1.813 0.786 0.723 0.854 0.479 CB 1.197 49 residues pruned to eliminate duplicates Z: 15 11.592 1.785 0.675 0.564 0.857 0.714 CB 1.136 15 residues pruned to eliminate duplicates Z: 32 30.429 1.951 0.774 0.775 0.903 0.677 CB 1.371 32 residues pruned to eliminate duplicates Z: 11 14.087 1.790 0.661 0.788 1.000 0.800 CB 1.163 11 residues pruned to eliminate duplicates Z: 18 15.336 1.816 0.910 0.856 0.706 0.588 CB 1.121 18 residues pruned to eliminate duplicates Z: 35 30.321 1.907 0.856 0.808 0.912 0.676 CB 1.232 33 residues pruned to eliminate duplicates Z: 13 16.154 1.778 0.747 0.876 1.000 0.750 CB 1.091 13 residues pruned to eliminate duplicates Z: 10 16.707 1.879 0.780 0.796 1.000 0.778 CB 1.285 10 residues pruned to eliminate duplicates Z: 38 28.329 1.874 0.882 0.767 0.892 0.676 CB 1.169 39 residues pruned to eliminate duplicates Z: 23 27.107 1.843 1.152 0.907 0.955 0.409 CB 1.085 23 residues pruned to eliminate duplicates Z: 20 14.524 1.821 0.431 0.547 0.947 0.474 CB 1.289 20 residues pruned to eliminate duplicates Z: 45 24.550 1.807 0.755 0.644 0.886 0.568 CB 1.151 45 residues pruned to eliminate duplicates Z: 46 23.547 1.855 0.564 0.636 0.911 0.622 CB 1.169 46 residues pruned to eliminate duplicates Z: 46 31.871 1.871 0.751 0.774 0.933 0.689 CB 1.220 45 residues pruned to eliminate duplicates Z: 10 7.509 1.709 0.063 0.840 1.000 0.889 CB 1.028 10 residues pruned to eliminate duplicates Z: 43 25.108 1.840 0.648 0.667 0.905 0.690 CB 1.211 43 residues pruned to eliminate duplicates Z: 59 28.605 1.871 0.619 0.621 0.879 0.621 CB 1.258 59 residues pruned to eliminate duplicates Z: 19 7.747 1.681 0.383 0.482 0.778 0.556 CB 1.028 19 residues pruned to eliminate duplicates Z: 40 15.891 1.804 0.487 0.509 0.769 0.590 CB 1.221 40 residues pruned to eliminate duplicates Z: 43 19.731 1.834 0.570 0.556 0.833 0.619 CB 1.201 43 residues pruned to eliminate duplicates Z: 31 13.981 1.775 0.513 0.515 0.833 0.533 CB 1.125 31 residues pruned to eliminate duplicates Z: 61 32.353 1.906 0.669 0.692 0.883 0.633 CB 1.247 61 residues pruned to eliminate duplicates Z: 67 37.245 1.893 0.719 0.711 0.939 0.591 CB 1.238 67 residues pruned to eliminate duplicates Z: 18 11.918 1.812 0.273 0.626 0.882 0.588 CB 1.261 18 residues pruned to eliminate duplicates Z: 42 22.871 1.840 0.760 0.666 0.927 0.512 CB 1.020 42 residues pruned to eliminate duplicates Z: 60 30.419 1.888 0.673 0.675 0.898 0.576 CB 1.188 60 residues pruned to eliminate duplicates Z: 32 21.510 1.886 0.519 0.606 0.935 0.613 CB 1.304 32 residues pruned to eliminate duplicates Z: 15 16.708 1.976 0.914 0.448 0.929 0.571 CB 1.341 15 residues pruned to eliminate duplicates Z: 17 14.322 1.977 0.562 0.425 0.938 0.500 CB 1.337 17 residues pruned to eliminate duplicates Z: 42 24.942 1.884 0.584 0.677 0.951 0.659 CB 1.166 42 residues pruned to eliminate duplicates Z: 40 20.506 1.801 0.628 0.626 0.897 0.590 CB 1.108 40 residues pruned to eliminate duplicates Z: 14 23.185 2.067 0.653 0.729 1.000 0.769 CB 1.532 14 residues pruned to eliminate duplicates Z: 15 23.517 2.010 0.878 0.684 0.929 0.714 CB 1.514 15 residues pruned to eliminate duplicates Z: 14 17.532 1.984 0.771 0.643 0.769 0.692 CB 1.573 14 residues pruned to eliminate duplicates Z: 65 41.226 1.919 0.890 0.720 0.922 0.609 CB 1.263 65 residues pruned to eliminate duplicates Z: 12 31.226 2.048 1.195 0.918 1.000 0.909 CB 1.477 12 residues pruned to eliminate duplicates Z: 14 20.674 1.995 1.104 0.696 0.846 0.769 CB 1.350 14 residues pruned to eliminate duplicates Z: 41 24.996 1.869 0.665 0.629 0.925 0.700 CB 1.215 41 residues pruned to eliminate duplicates Z: 34 22.901 1.864 0.715 0.579 0.879 0.636 CB 1.316 34 residues pruned to eliminate duplicates Z: 9 2.940 1.465 0.286 0.295 0.750 0.125 CB 0.925 Z: 7 13.378 2.118 0.255 0.719 1.000 0.667 CB 1.687 6 residues pruned to eliminate duplicates Z: 8 12.107 1.981 0.422 0.843 1.000 0.857 CB 1.209 8 residues pruned to eliminate duplicates Z: 8 10.612 1.996 0.349 0.701 1.000 0.571 CB 1.241 7 residues pruned to eliminate duplicates Z: 7 11.170 2.061 0.301 0.801 1.000 0.667 CB 1.307 7 residues pruned to eliminate duplicates Z: 9 8.457 2.009 0.371 0.568 0.875 0.500 CB 1.161 8 residues pruned to eliminate duplicates Z: 10 15.020 1.930 0.477 0.790 1.000 0.444 CB 1.361 12 residues pruned to eliminate duplicates Z: 15 15.952 1.779 0.439 0.861 0.929 0.857 CB 1.318 15 residues pruned to eliminate duplicates Z: 34 18.040 1.830 0.556 0.605 0.879 0.667 CB 1.136 34 residues pruned to eliminate duplicates Z: 20 16.607 1.916 0.256 0.796 0.947 0.632 CB 1.289 20 residues pruned to eliminate duplicates Z: 23 16.190 1.849 0.446 0.722 0.909 0.636 CB 1.162 23 residues pruned to eliminate duplicates Z: 28 13.833 1.796 0.430 0.628 0.852 0.556 CB 1.079 28 residues pruned to eliminate duplicates Z: 19 18.038 1.845 0.508 0.759 1.000 0.556 CB 1.214 19 residues pruned to eliminate duplicates Z: 19 15.727 1.845 0.472 0.676 0.944 0.667 CB 1.230 19 residues pruned to eliminate duplicates Z: 25 15.334 1.885 0.440 0.651 0.833 0.542 CB 1.203 25 residues pruned to eliminate duplicates Z: 23 14.937 1.805 0.320 0.765 0.864 0.636 CB 1.224 23 residues pruned to eliminate duplicates Z: 21 11.157 1.850 0.400 0.490 0.850 0.350 CB 1.144 21 residues pruned to eliminate duplicates Z: 27 14.699 1.785 0.505 0.550 0.808 0.538 CB 1.265 27 residues pruned to eliminate duplicates Z: 30 19.382 1.784 0.538 0.615 0.897 0.655 CB 1.313 30 residues pruned to eliminate duplicates Z: 30 21.125 1.776 0.636 0.640 0.966 0.586 CB 1.226 30 residues pruned to eliminate duplicates Z: 27 23.655 1.822 0.970 0.694 0.923 0.615 CB 1.172 27 residues pruned to eliminate duplicates Z: 23 15.182 1.761 0.581 0.538 0.864 0.682 CB 1.297 23 residues pruned to eliminate duplicates Z: 26 12.049 1.726 0.490 0.503 0.760 0.560 CB 1.230 26 residues pruned to eliminate duplicates Z: 91 30.064 1.807 0.630 0.645 0.878 0.622 CB 1.070 65 residues pruned to eliminate duplicates Z: 13 16.804 1.833 0.619 0.808 1.000 0.583 CB 1.250 13 residues pruned to eliminate duplicates Z: 72 28.602 1.893 0.484 0.635 0.873 0.648 CB 1.220 37 residues pruned to eliminate duplicates Z: 10 12.174 1.712 0.546 0.864 1.000 0.889 CB 1.124 10 residues pruned to eliminate duplicates Z: 28 15.415 1.805 0.559 0.499 0.889 0.444 CB 1.188 28 residues pruned to eliminate duplicates Z: 30 15.636 1.736 0.489 0.599 0.862 0.483 CB 1.186 30 residues pruned to eliminate duplicates Z: 28 20.707 1.849 0.606 0.634 0.926 0.593 CB 1.278 28 residues pruned to eliminate duplicates Z: 16 9.004 1.717 0.267 0.462 0.800 0.400 CB 1.388 16 residues pruned to eliminate duplicates Z: 42 26.791 1.847 0.644 0.727 0.927 0.805 CB 1.211 42 residues pruned to eliminate duplicates Z: 25 23.451 1.794 0.762 0.778 1.000 0.875 CB 1.184 25 residues pruned to eliminate duplicates Z: 43 30.017 1.841 0.690 0.761 0.929 0.667 CB 1.271 43 residues pruned to eliminate duplicates Z: 25 14.846 1.716 0.753 0.498 0.875 0.375 CB 1.153 25 residues pruned to eliminate duplicates Z: 38 16.353 1.812 0.523 0.558 0.838 0.595 CB 1.099 38 residues pruned to eliminate duplicates Z: 43 28.869 1.841 0.674 0.746 0.929 0.667 CB 1.250 43 residues pruned to eliminate duplicates Z: 62 29.744 1.878 0.672 0.663 0.918 0.607 CB 1.136 55 residues pruned to eliminate duplicates Z: 21 26.301 1.776 1.021 0.908 1.000 0.750 CB 1.164 21 residues pruned to eliminate duplicates Z: 43 26.453 1.804 0.804 0.723 0.881 0.548 CB 1.164 43 residues pruned to eliminate duplicates Z: 36 24.743 1.840 0.678 0.721 0.971 0.629 CB 1.142 36 residues pruned to eliminate duplicates Z: 42 27.231 1.845 0.781 0.708 0.878 0.659 CB 1.220 42 residues pruned to eliminate duplicates Z: 35 28.703 1.859 0.749 0.782 0.971 0.647 CB 1.217 35 residues pruned to eliminate duplicates Z: 43 28.463 1.784 0.816 0.725 0.929 0.714 CB 1.192 43 residues pruned to eliminate duplicates Z: 38 28.140 1.895 0.686 0.756 0.919 0.703 CB 1.254 38 residues pruned to eliminate duplicates Z: 54 27.366 1.862 0.630 0.764 0.849 0.660 CB 1.154 54 residues pruned to eliminate duplicates Z: 87 33.548 1.839 0.642 0.623 0.930 0.558 CB 1.146 87 residues pruned to eliminate duplicates Z: 72 34.991 1.854 0.787 0.684 0.901 0.662 CB 1.175 72 residues pruned to eliminate duplicates Z: 35 27.798 1.825 0.831 0.723 0.941 0.559 CB 1.240 35 residues pruned to eliminate duplicates Z: 51 32.139 1.898 0.757 0.738 0.920 0.660 CB 1.197 51 residues pruned to eliminate duplicates Z: 89 32.388 1.852 0.688 0.624 0.886 0.602 CB 1.109 89 residues pruned to eliminate duplicates Z: 57 29.039 1.884 0.517 0.697 0.929 0.714 CB 1.222 57 residues pruned to eliminate duplicates Z: 62 28.440 1.864 0.662 0.654 0.934 0.672 CB 1.090 64 residues pruned to eliminate duplicates Z: 23 25.461 1.838 0.816 0.909 0.955 0.818 CB 1.209 23 residues pruned to eliminate duplicates Z: 39 20.110 1.878 0.606 0.663 0.895 0.579 CB 1.040 39 residues pruned to eliminate duplicates Z: 35 27.827 1.926 0.735 0.809 0.971 0.824 CB 1.124 35 residues pruned to eliminate duplicates Z: 66 30.867 1.875 0.666 0.632 0.908 0.631 CB 1.192 63 residues pruned to eliminate duplicates Z: 16 12.378 1.881 0.364 0.657 0.933 0.600 CB 1.153 16 residues pruned to eliminate duplicates Z: 46 31.959 1.908 0.767 0.721 0.956 0.667 CB 1.211 46 residues pruned to eliminate duplicates Z: 41 24.556 1.926 0.696 0.619 0.900 0.500 CB 1.181 44 residues pruned to eliminate duplicates Z: 12 14.182 1.991 0.405 0.812 1.000 0.818 CB 1.165 12 residues pruned to eliminate duplicates Z: 72 34.387 1.864 0.723 0.707 0.887 0.648 CB 1.187 72 residues pruned to eliminate duplicates Z: 67 35.829 1.902 0.756 0.721 0.909 0.667 CB 1.189 67 residues pruned to eliminate duplicates Z: 15 12.460 1.968 0.413 0.635 0.929 0.714 CB 1.136 15 residues pruned to eliminate duplicates Z: 41 29.122 1.900 0.909 0.702 0.925 0.575 CB 1.142 41 residues pruned to eliminate duplicates Z: 48 28.463 1.867 0.721 0.692 0.936 0.702 CB 1.159 48 residues pruned to eliminate duplicates Z: 57 33.471 1.882 0.775 0.725 0.929 0.732 CB 1.177 57 residues pruned to eliminate duplicates Z: 65 34.300 1.909 0.715 0.669 0.906 0.609 CB 1.236 65 residues pruned to eliminate duplicates Z: 22 15.467 2.007 0.407 0.584 0.952 0.571 CB 1.158 22 residues pruned to eliminate duplicates Z: 13 4.811 1.645 0.140 0.332 0.917 0.500 CB 0.972 13 residues pruned to eliminate duplicates Z: 44 30.364 1.958 0.739 0.727 0.930 0.767 CB 1.191 45 residues pruned to eliminate duplicates Z: 6 3.600 1.922 0.197 0.364 1.000 0.400 CB 0.809 6 residues pruned to eliminate duplicates Z: 9 7.320 1.836 0.505 0.480 0.875 0.500 CB 1.092 5 residues pruned to eliminate duplicates Z: 16 14.606 1.804 0.853 0.641 0.933 0.667 CB 1.060 11 residues pruned to eliminate duplicates Z: 12 16.698 1.722 1.005 0.783 1.000 0.818 CB 1.136 12 residues pruned to eliminate duplicates Z: 10 22.249 1.810 1.115 0.898 1.000 0.889 CB 1.386 11 residues pruned to eliminate duplicates Z: 7 11.912 1.849 0.866 0.782 0.833 0.833 CB 1.319 7 residues pruned to eliminate duplicates Z: 34 19.145 1.865 0.683 0.550 0.939 0.606 CB 1.077 34 residues pruned to eliminate duplicates Z: 14 12.900 1.767 1.009 0.675 0.923 0.769 CB 0.930 14 residues pruned to eliminate duplicates Z: 33 19.244 1.852 0.728 0.607 0.906 0.719 CB 1.060 33 residues pruned to eliminate duplicates Z: 16 12.072 1.787 0.923 0.631 0.733 0.533 CB 1.093 16 residues pruned to eliminate duplicates Z: 18 17.875 1.832 0.903 0.719 1.000 0.706 CB 1.020 16 residues pruned to eliminate duplicates Z: 10 17.588 1.739 0.947 0.913 1.000 0.778 CB 1.225 10 residues pruned to eliminate duplicates Z: 10 11.334 1.729 1.075 0.720 0.889 0.556 CB 0.971 10 residues pruned to eliminate duplicates 356 residues left after pruning, divided into chains as follows: A: 50 B: 31 C: 186 D: 89 CC for partial structure against native data = 38.85 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.505, Connect. = 0.690 for dens.mod. cycle 1 = 0.300, Contrast = 0.586, Connect. = 0.719 for dens.mod. cycle 2 = 0.300, Contrast = 0.704, Connect. = 0.749 for dens.mod. cycle 3 = 0.300, Contrast = 0.722, Connect. = 0.750 for dens.mod. cycle 4 = 0.300, Contrast = 0.736, Connect. = 0.752 for dens.mod. cycle 5 = 0.300, Contrast = 0.740, Connect. = 0.753 for dens.mod. cycle 6 = 0.300, Contrast = 0.745, Connect. = 0.754 for dens.mod. cycle 7 = 0.300, Contrast = 0.747, Connect. = 0.755 for dens.mod. cycle 8 = 0.300, Contrast = 0.748, Connect. = 0.756 for dens.mod. cycle 9 = 0.300, Contrast = 0.749, Connect. = 0.757 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1361 peaks > 0.5 sigma used to seed fragment search Space for about 598 unique residues taking solvent into account 347 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 8 10.794 2.028 0.005 0.798 1.000 0.571 CB 1.543 B: 10 15.059 1.943 0.616 0.920 1.000 0.778 CB 1.125 C: 13 20.545 1.925 0.481 0.903 1.000 0.833 CB 1.483 D: 13 21.127 1.849 0.756 0.886 1.000 0.917 CB 1.355 E: 14 11.929 1.868 0.385 0.707 0.846 0.769 CB 1.252 F: 15 25.830 1.863 0.823 0.887 1.000 0.714 CB 1.466 G: 14 18.241 1.829 0.477 0.915 1.000 0.923 CB 1.323 14 residues pruned to eliminate duplicates H: 18 24.761 1.851 0.767 0.895 1.000 0.882 CB 1.316 I: 13 18.743 1.866 0.587 0.899 0.917 0.917 CB 1.424 J: 18 20.276 1.902 0.400 0.923 1.000 0.882 CB 1.298 K: 7 9.000 1.897 0.085 0.837 1.000 0.833 CB 1.335 7 residues pruned to eliminate duplicates L: 14 14.670 1.783 0.491 0.842 0.923 0.769 CB 1.235 14 residues pruned to eliminate duplicates M: 13 15.235 1.916 0.725 0.711 1.000 0.583 CB 1.099 N: 20 29.608 1.861 0.670 0.921 1.000 0.842 CB 1.538 16 residues pruned to eliminate duplicates O: 11 14.278 1.767 0.430 0.889 1.000 1.000 CB 1.286 P: 14 18.958 1.808 0.566 0.896 1.000 0.846 CB 1.330 14 residues pruned to eliminate duplicates Q: 12 19.388 1.892 0.675 0.914 1.000 0.909 CB 1.304 12 residues pruned to eliminate duplicates R: 13 15.794 1.870 0.320 0.737 0.917 0.750 CB 1.628 S: 13 19.867 1.762 0.599 0.842 1.000 0.583 N 1.517 T: 13 18.455 1.829 0.475 0.907 1.000 0.833 CB 1.403 13 residues pruned to eliminate duplicates U: 14 19.321 1.782 0.572 0.782 1.000 0.692 CB 1.492 12 residues pruned to eliminate duplicates V: 12 16.520 1.874 0.484 0.882 1.000 0.909 CB 1.297 12 residues pruned to eliminate duplicates W: 13 19.911 1.872 0.806 0.823 0.917 0.750 CB 1.403 13 residues pruned to eliminate duplicates X: 18 29.563 1.899 0.805 0.920 1.000 0.882 CB 1.473 18 residues pruned to eliminate duplicates Y: 13 19.318 1.846 0.651 0.912 1.000 0.917 CB 1.296 13 residues pruned to eliminate duplicates Z: 17 18.370 1.883 0.501 0.871 1.000 0.812 CB 1.185 17 residues pruned to eliminate duplicates Z: 21 28.680 1.832 0.617 0.914 1.000 0.800 CB 1.531 19 residues pruned to eliminate duplicates 6 1.593 1.548 0.339 0.295 0.400 0.400 C 1.081 ? Z: 14 24.542 1.796 0.796 0.860 1.000 0.692 CB 1.551 14 residues pruned to eliminate duplicates Z: 23 21.901 1.759 0.640 0.913 1.000 0.864 CB 1.146 10 residues pruned to eliminate duplicates Z: 10 11.892 1.919 0.281 0.911 1.000 1.000 CB 1.143 11 residues pruned to eliminate duplicates Z: 12 16.283 1.814 0.757 0.889 0.909 0.818 CB 1.220 Z: 13 16.100 1.762 0.322 0.937 1.000 1.000 CB 1.389 Z: 21 22.910 1.864 0.968 0.911 0.900 0.900 CB 1.100 10 residues pruned to eliminate duplicates Z: 15 13.504 1.762 0.394 0.815 0.929 0.857 CB 1.203 15 residues pruned to eliminate duplicates Z: 10 12.257 1.923 0.633 0.887 0.889 0.556 CB 1.055 10 residues pruned to eliminate duplicates Z: 13 14.662 1.835 0.396 0.872 0.917 0.917 CB 1.314 13 residues pruned to eliminate duplicates Z: 16 21.340 1.781 0.636 0.891 0.933 0.800 CB 1.457 16 residues pruned to eliminate duplicates Z: 17 17.186 1.912 0.591 0.855 1.000 0.688 CB 1.042 17 residues pruned to eliminate duplicates Z: 14 17.143 1.808 0.735 0.838 0.923 0.692 CB 1.228 12 residues pruned to eliminate duplicates Z: 12 22.158 1.986 0.928 0.778 1.000 0.636 CB 1.365 14 residues pruned to eliminate duplicates Z: 15 13.081 1.811 0.196 0.849 1.000 0.786 CB 1.196 15 residues pruned to eliminate duplicates Z: 20 28.687 1.858 0.790 0.897 1.000 0.632 CB 1.417 21 residues pruned to eliminate duplicates Z: 13 14.497 1.980 0.471 0.753 0.833 0.667 CB 1.375 13 residues pruned to eliminate duplicates Z: 14 14.716 1.765 0.447 0.921 0.923 0.923 CB 1.219 14 residues pruned to eliminate duplicates Z: 14 12.878 1.794 0.256 0.845 1.000 0.923 CB 1.178 5 residues pruned to eliminate duplicates Z: 13 24.770 1.874 0.697 0.839 1.000 0.500 CB 1.679 13 residues pruned to eliminate duplicates Z: 18 23.785 1.885 0.843 0.859 0.882 0.765 CB 1.384 18 residues pruned to eliminate duplicates Z: 7 11.455 1.804 0.448 0.779 1.000 0.833 CA 1.400 7 residues pruned to eliminate duplicates Z: 18 31.801 1.890 0.977 0.930 1.000 0.824 CB 1.443 18 residues pruned to eliminate duplicates Z: 13 26.745 1.877 0.937 0.881 1.000 0.583 CB 1.538 13 residues pruned to eliminate duplicates Z: 13 18.997 1.851 0.596 0.882 1.000 0.917 CB 1.343 13 residues pruned to eliminate duplicates Z: 15 18.335 1.758 0.427 0.837 0.929 0.929 CB 1.573 15 residues pruned to eliminate duplicates Z: 13 21.109 1.916 0.744 0.797 1.000 0.583 CB 1.406 14 residues pruned to eliminate duplicates Z: 12 21.609 1.908 0.761 0.845 1.000 0.636 CB 1.441 Z: 12 15.315 1.917 0.542 0.882 0.818 0.727 CB 1.382 12 residues pruned to eliminate duplicates Z: 18 26.701 1.881 0.814 0.918 1.000 0.824 CB 1.339 18 residues pruned to eliminate duplicates Z: 44 18.802 1.764 0.561 0.563 0.884 0.581 CB 1.109 32 residues pruned to eliminate duplicates Z: 14 16.676 1.781 0.566 0.821 1.000 0.692 CB 1.255 12 residues pruned to eliminate duplicates Z: 12 21.726 1.945 0.762 0.828 1.000 0.455 CB 1.439 12 residues pruned to eliminate duplicates Z: 13 20.392 1.928 0.751 0.898 0.917 0.833 CB 1.361 13 residues pruned to eliminate duplicates Z: 19 30.472 1.872 0.941 0.896 0.944 0.833 CB 1.499 19 residues pruned to eliminate duplicates Z: 10 11.443 1.692 0.319 0.836 1.000 1.000 CB 1.279 Z: 20 30.360 1.854 0.854 0.893 0.947 0.684 CB 1.536 20 residues pruned to eliminate duplicates Z: 12 13.978 1.685 0.370 0.886 1.000 0.909 CB 1.317 10 residues pruned to eliminate duplicates Z: 23 21.108 1.747 0.860 0.866 0.864 0.545 CB 1.174 23 residues pruned to eliminate duplicates Z: 8 12.111 1.837 0.539 0.877 1.000 1.000 CB 1.176 8 residues pruned to eliminate duplicates Z: 11 20.793 1.858 1.123 0.860 0.900 0.700 CB 1.362 11 residues pruned to eliminate duplicates Z: 12 19.149 1.863 0.597 0.835 1.000 0.636 CB 1.453 12 residues pruned to eliminate duplicates Z: 6 3.125 1.409 0.433 0.409 1.000 0.400 CB 0.762 7 1.517 1.429 0.456 0.382 0.833 0.167 CB 0.405 ? Z: 18 20.202 1.848 0.697 0.896 0.941 0.882 CB 1.189 18 residues pruned to eliminate duplicates Z: 18 25.902 1.880 0.716 0.935 1.000 1.000 CB 1.357 18 residues pruned to eliminate duplicates Z: 21 27.630 1.815 0.616 0.902 1.000 0.800 N 1.503 20 residues pruned to eliminate duplicates Z: 14 14.578 1.813 0.393 0.860 1.000 0.846 CB 1.177 14 residues pruned to eliminate duplicates Z: 22 25.198 1.782 0.849 0.837 0.857 0.619 N 1.457 22 residues pruned to eliminate duplicates Z: 23 21.583 1.752 0.660 0.832 0.864 0.636 CB 1.376 23 residues pruned to eliminate duplicates Z: 22 18.324 1.802 0.685 0.920 0.905 0.810 CB 1.026 22 residues pruned to eliminate duplicates Z: 11 17.728 1.846 0.628 0.894 1.000 0.800 CB 1.338 11 residues pruned to eliminate duplicates Z: 14 14.236 1.800 0.414 0.696 0.923 0.769 CB 1.405 14 residues pruned to eliminate duplicates Z: 19 27.601 1.839 0.750 0.910 1.000 0.722 CB 1.433 19 residues pruned to eliminate duplicates Z: 8 2.837 1.330 0.198 0.378 0.857 0.571 CB 0.894 Z: 11 21.516 1.825 0.918 0.913 1.000 0.800 CB 1.375 11 residues pruned to eliminate duplicates Z: 13 19.479 1.896 0.675 0.914 0.917 0.833 CB 1.366 13 residues pruned to eliminate duplicates Z: 17 19.961 1.816 0.752 0.896 0.938 0.938 CB 1.199 17 residues pruned to eliminate duplicates Z: 10 12.326 1.671 0.561 0.873 0.889 0.889 CB 1.291 9 residues pruned to eliminate duplicates Z: 12 7.005 1.569 0.864 0.710 0.727 0.455 CB 0.820 Z: 12 11.702 1.945 0.474 0.820 0.909 0.818 CB 1.026 11 residues pruned to eliminate duplicates Z: 19 29.870 1.844 0.849 0.923 1.000 0.722 CB 1.451 19 residues pruned to eliminate duplicates Z: 18 14.870 1.712 0.951 0.880 0.882 0.706 CB 0.887 18 residues pruned to eliminate duplicates Z: 13 15.981 1.646 0.817 0.783 1.000 0.833 CB 1.203 12 residues pruned to eliminate duplicates Z: 14 21.074 1.744 0.923 0.856 0.923 0.769 N 1.393 13 residues pruned to eliminate duplicates Z: 8 11.958 1.944 0.280 0.840 1.000 0.571 CB 1.356 8 residues pruned to eliminate duplicates Z: 22 28.109 1.869 0.971 0.920 1.000 0.714 CB 1.172 23 residues pruned to eliminate duplicates Z: 7 8.139 1.635 0.598 0.700 1.000 0.500 CB 1.060 7 residues pruned to eliminate duplicates Z: 10 17.571 1.980 0.842 0.837 0.889 0.222 CB 1.351 10 residues pruned to eliminate duplicates Z: 16 18.443 1.877 0.541 0.870 1.000 0.733 CB 1.201 16 residues pruned to eliminate duplicates Z: 9 14.584 1.719 0.716 0.808 1.000 0.625 CB 1.337 8 residues pruned to eliminate duplicates Z: 15 16.014 1.760 0.639 0.792 0.929 0.857 CB 1.237 13 residues pruned to eliminate duplicates Z: 11 9.522 1.682 0.772 0.808 0.900 0.800 CB 0.858 11 residues pruned to eliminate duplicates Z: 12 14.759 1.626 0.868 0.873 1.000 0.727 CB 1.067 12 residues pruned to eliminate duplicates Z: 19 30.281 1.873 0.721 0.915 1.000 0.944 CB 1.565 19 residues pruned to eliminate duplicates Z: 6 4.566 1.669 0.542 0.820 1.000 0.800 CB 0.601 Z: 12 15.568 1.776 0.744 0.823 0.909 0.273 CB 1.261 12 residues pruned to eliminate duplicates Z: 21 10.491 1.725 0.434 0.480 0.800 0.450 CB 1.210 Z: 9 11.939 1.603 0.550 0.882 1.000 0.750 CB 1.229 Z: 10 9.921 1.670 0.304 0.873 0.889 0.889 CB 1.245 10 residues pruned to eliminate duplicates Z: 12 9.392 1.718 0.320 0.754 1.000 0.545 CB 0.996 14 residues pruned to eliminate duplicates Z: 6 7.719 1.738 0.420 0.802 0.800 0.600 CB 1.343 5 residues pruned to eliminate duplicates Z: 11 12.439 1.770 0.283 0.841 1.000 0.800 CB 1.291 11 residues pruned to eliminate duplicates Z: 14 20.385 1.897 0.628 0.833 0.923 0.692 CB 1.488 14 residues pruned to eliminate duplicates Z: 22 14.760 1.734 0.560 0.650 0.905 0.667 CB 1.144 22 residues pruned to eliminate duplicates Z: 17 23.209 1.869 0.627 0.924 1.000 0.875 CB 1.340 17 residues pruned to eliminate duplicates Z: 18 25.910 1.765 1.023 0.897 1.000 0.882 CB 1.260 18 residues pruned to eliminate duplicates Z: 13 16.804 1.861 0.363 0.907 1.000 0.917 CB 1.359 13 residues pruned to eliminate duplicates Z: 12 14.835 1.887 0.353 0.922 0.909 0.909 CB 1.356 12 residues pruned to eliminate duplicates Z: 19 23.781 1.749 0.798 0.864 0.944 0.722 N 1.384 19 residues pruned to eliminate duplicates 6 1.467 1.611 0.473 0.349 0.800 0.600 N 0.407 ? Z: 10 5.249 1.706 0.840 0.482 0.778 0.778 CB 0.730 Z: 21 21.353 1.768 0.772 0.884 0.950 0.700 CB 1.160 21 residues pruned to eliminate duplicates Z: 13 13.099 1.636 0.447 0.786 1.000 0.667 CB 1.243 12 residues pruned to eliminate duplicates Z: 15 18.420 1.826 0.514 0.869 1.000 0.857 CB 1.301 15 residues pruned to eliminate duplicates Z: 12 14.207 1.796 0.548 0.842 0.909 0.636 CB 1.263 12 residues pruned to eliminate duplicates Z: 7 2.198 1.644 1.035 0.872 1.000 1.000 CB 0.196 7 residues pruned to eliminate duplicates Z: 12 10.950 1.640 0.278 0.776 0.909 0.636 CB 1.357 12 residues pruned to eliminate duplicates Z: 16 16.916 1.854 0.584 0.807 0.933 0.533 CB 1.219 16 residues pruned to eliminate duplicates Z: 20 19.463 1.768 0.687 0.865 0.947 0.737 CB 1.157 20 residues pruned to eliminate duplicates Z: 15 21.442 1.690 0.852 0.801 1.000 0.571 N 1.407 15 residues pruned to eliminate duplicates Z: 13 11.265 1.818 0.542 0.826 0.917 0.500 CB 0.954 13 residues pruned to eliminate duplicates Z: 19 28.906 1.893 0.728 0.934 1.000 0.889 CB 1.453 18 residues pruned to eliminate duplicates Z: 22 21.486 1.826 0.560 0.896 1.000 0.952 CB 1.179 22 residues pruned to eliminate duplicates Z: 13 23.969 1.904 0.630 0.892 1.000 0.917 CA 1.602 13 residues pruned to eliminate duplicates Z: 12 13.417 1.669 0.310 0.861 1.000 0.818 CA 1.359 13 residues pruned to eliminate duplicates Z: 9 4.552 1.514 0.224 0.763 0.750 0.500 CB 0.917 Z: 15 9.979 1.934 0.431 0.622 0.857 0.714 CB 1.001 15 residues pruned to eliminate duplicates Z: 6 3.482 1.643 0.246 0.814 0.800 0.600 CB 0.724 Z: 14 9.442 1.683 0.589 0.594 0.846 0.538 CB 1.058 14 residues pruned to eliminate duplicates Z: 11 8.420 1.619 0.764 0.797 0.900 0.800 CB 0.798 11 residues pruned to eliminate duplicates Z: 13 6.568 1.641 0.359 0.415 0.750 0.500 CB 1.240 8 residues pruned to eliminate duplicates Z: 12 16.055 1.835 0.359 0.882 1.000 1.000 CB 1.405 12 residues pruned to eliminate duplicates Z: 6 4.227 1.393 0.414 0.835 0.800 0.600 CB 0.899 Z: 15 15.091 1.780 0.368 0.794 0.929 0.714 CA 1.379 15 residues pruned to eliminate duplicates Z: 9 4.136 1.625 -0.088 0.529 0.875 0.625 CB 1.095 5 residues pruned to eliminate duplicates Z: 13 17.237 1.817 0.491 0.865 1.000 0.667 CB 1.346 13 residues pruned to eliminate duplicates Z: 8 11.006 2.025 0.122 0.877 1.000 1.000 CB 1.330 8 residues pruned to eliminate duplicates Z: 20 17.575 1.708 0.826 0.900 0.947 0.579 CB 0.975 20 residues pruned to eliminate duplicates Z: 12 17.416 1.873 0.613 0.882 1.000 0.818 CB 1.257 12 residues pruned to eliminate duplicates Z: 9 4.973 1.574 0.605 0.836 1.000 0.750 CB 0.521 6 residues pruned to eliminate duplicates Z: 12 14.950 1.812 0.315 0.906 1.000 0.818 CB 1.346 12 residues pruned to eliminate duplicates Z: 9 4.569 1.503 0.554 0.335 0.750 0.625 CB 1.104 Z: 6 7.703 1.948 0.541 0.893 1.000 1.000 CB 0.824 10 residues pruned to eliminate duplicates Z: 11 22.609 2.013 1.090 0.774 1.000 0.800 CB 1.333 11 residues pruned to eliminate duplicates Z: 14 19.734 1.811 0.715 0.838 0.923 0.692 CB 1.427 22 residues pruned to eliminate duplicates Z: 13 14.032 1.698 0.587 0.895 1.000 0.917 CB 1.078 13 residues pruned to eliminate duplicates 7 1.901 1.685 -0.038 0.767 1.000 0.500 CB 0.378 ? Z: 18 13.828 1.595 1.058 0.795 0.824 0.706 CB 0.958 15 residues pruned to eliminate duplicates Z: 13 19.485 1.955 0.446 0.800 1.000 0.833 CB 1.530 13 residues pruned to eliminate duplicates Z: 13 20.494 1.904 0.733 0.797 1.000 0.667 CB 1.382 12 residues pruned to eliminate duplicates Z: 15 19.462 1.941 0.527 0.892 1.000 0.929 CB 1.261 15 residues pruned to eliminate duplicates Z: 8 2.582 1.579 0.052 0.321 0.714 0.571 CB 1.002 Z: 20 22.391 1.746 0.823 0.940 1.000 0.632 CB 1.120 20 residues pruned to eliminate duplicates Z: 12 15.392 1.790 0.876 0.880 1.000 0.818 CB 1.002 12 residues pruned to eliminate duplicates Z: 14 18.832 1.728 0.686 0.861 0.923 0.769 CA 1.428 14 residues pruned to eliminate duplicates Z: 12 16.823 1.809 0.651 0.862 1.000 0.273 CB 1.246 12 residues pruned to eliminate duplicates Z: 7 7.250 1.785 -0.008 0.856 0.833 0.667 O 1.480 7 residues pruned to eliminate duplicates Z: 16 7.967 1.644 0.656 0.596 0.800 0.333 CB 0.862 16 residues pruned to eliminate duplicates Z: 14 9.695 1.691 0.546 0.543 0.846 0.615 CB 1.166 9 residues pruned to eliminate duplicates Z: 13 4.332 1.486 0.510 0.291 0.750 0.500 N 0.939 Z: 17 17.000 1.785 0.526 0.793 0.938 0.875 CB 1.288 17 residues pruned to eliminate duplicates Z: 10 10.609 1.877 0.340 0.881 1.000 1.000 CB 1.017 10 residues pruned to eliminate duplicates Z: 13 17.600 1.878 0.611 0.835 1.000 0.667 CB 1.258 13 residues pruned to eliminate duplicates Z: 14 14.712 1.763 0.349 0.850 1.000 0.615 CB 1.271 14 residues pruned to eliminate duplicates Z: 22 22.379 1.816 0.524 0.879 1.000 0.810 CB 1.280 22 residues pruned to eliminate duplicates Z: 12 15.191 1.666 0.748 0.725 1.000 0.455 CB 1.284 12 residues pruned to eliminate duplicates Z: 7 5.364 1.523 0.604 0.375 1.000 0.500 CB 1.025 Z: 17 4.945 1.422 0.323 0.324 0.812 0.375 N 0.982 Z: 6 2.443 1.537 0.349 0.170 1.000 0.200 CB 0.786 Z: 21 17.115 1.785 0.281 0.936 1.000 1.000 CB 1.166 21 residues pruned to eliminate duplicates Z: 9 8.477 1.600 0.402 0.880 1.000 0.750 CB 0.967 7 residues pruned to eliminate duplicates Z: 19 29.249 1.853 0.859 0.911 0.944 0.722 CB 1.502 19 residues pruned to eliminate duplicates Z: 9 7.505 1.776 0.343 0.654 0.875 0.625 CB 1.101 9 residues pruned to eliminate duplicates Z: 20 19.697 1.741 0.651 0.910 0.947 0.789 CB 1.177 20 residues pruned to eliminate duplicates Z: 8 3.174 1.585 0.690 0.651 1.000 0.714 CB 0.389 Z: 7 2.527 1.550 0.305 0.272 0.667 0.500 O 0.990 7 residues pruned to eliminate duplicates Z: 8 6.853 1.642 0.010 0.795 1.000 0.857 O 1.207 8 residues pruned to eliminate duplicates Z: 11 9.873 1.820 0.437 0.458 0.900 0.500 CB 1.384 10 residues pruned to eliminate duplicates Z: 14 10.685 1.696 0.400 0.824 0.923 0.846 CB 1.022 14 residues pruned to eliminate duplicates Z: 17 16.607 1.850 0.505 0.836 1.000 0.688 CB 1.116 17 residues pruned to eliminate duplicates Z: 21 25.563 1.830 0.765 0.918 1.000 0.950 CB 1.248 22 residues pruned to eliminate duplicates Z: 20 14.379 1.774 0.116 0.929 1.000 1.000 CB 1.167 20 residues pruned to eliminate duplicates Z: 13 14.955 1.767 0.852 0.856 0.917 0.833 CB 1.062 13 residues pruned to eliminate duplicates Z: 6 4.109 1.487 0.520 0.491 0.800 0.400 N 1.026 Z: 11 8.780 1.884 -0.045 0.903 1.000 0.900 CB 1.100 11 residues pruned to eliminate duplicates Z: 8 7.983 1.757 0.498 0.721 0.714 0.571 CB 1.314 8 residues pruned to eliminate duplicates Z: 15 5.658 1.540 0.830 0.218 0.643 0.500 CB 1.162 13 residues pruned to eliminate duplicates Z: 11 7.373 1.646 0.893 0.881 0.800 0.600 CB 0.677 11 residues pruned to eliminate duplicates Z: 9 10.680 1.542 0.891 0.845 0.875 0.875 CB 1.100 9 residues pruned to eliminate duplicates Z: 17 19.462 1.887 0.456 0.892 1.000 0.812 CB 1.273 17 residues pruned to eliminate duplicates Z: 10 7.313 1.621 0.006 0.851 1.000 0.889 CB 1.105 9 residues pruned to eliminate duplicates Z: 20 14.527 1.805 0.464 0.539 0.842 0.526 CB 1.441 12 residues pruned to eliminate duplicates Z: 13 15.525 1.624 0.672 0.849 1.000 1.000 CB 1.223 13 residues pruned to eliminate duplicates Z: 14 9.298 1.790 0.709 0.535 0.769 0.615 CB 1.059 14 residues pruned to eliminate duplicates Z: 7 2.964 1.418 0.628 0.285 0.833 0.500 CB 0.801 Z: 21 24.749 1.809 0.682 0.893 0.950 0.900 CB 1.375 21 residues pruned to eliminate duplicates Z: 19 16.456 1.808 0.476 0.844 0.889 0.722 CB 1.217 23 residues pruned to eliminate duplicates Z: 7 4.092 1.499 0.440 0.707 0.833 0.500 CB 0.769 Z: 17 16.982 1.820 0.773 0.840 0.938 0.625 CB 1.047 17 residues pruned to eliminate duplicates Z: 8 5.946 1.601 0.814 0.717 0.857 0.571 CB 0.741 8 residues pruned to eliminate duplicates Z: 6 2.087 1.403 0.276 0.465 0.600 0.600 CB 0.900 6 residues pruned to eliminate duplicates Z: 19 21.778 1.839 0.427 0.899 1.000 0.889 CB 1.398 19 residues pruned to eliminate duplicates Z: 19 26.251 1.822 0.781 0.927 1.000 0.889 CB 1.336 19 residues pruned to eliminate duplicates Z: 17 28.629 1.907 0.931 0.903 1.000 0.875 CB 1.386 17 residues pruned to eliminate duplicates Z: 7 2.454 1.376 0.615 0.199 0.833 0.333 N 0.774 Z: 9 10.991 1.589 0.909 0.773 0.875 0.500 CB 1.150 9 residues pruned to eliminate duplicates Z: 6 3.416 1.654 0.220 0.537 1.000 0.600 CB 0.730 6 residues pruned to eliminate duplicates Z: 18 22.364 1.842 0.878 0.866 0.941 0.647 CB 1.219 18 residues pruned to eliminate duplicates Z: 9 2.510 1.524 0.240 0.346 0.875 0.375 CB 0.634 Z: 20 30.308 1.864 0.741 0.891 1.000 0.789 CB 1.540 20 residues pruned to eliminate duplicates Z: 9 11.805 1.690 0.465 0.848 1.000 0.750 CB 1.250 9 residues pruned to eliminate duplicates Z: 6 3.353 1.477 0.678 0.788 0.800 0.600 CB 0.587 Z: 6 2.865 1.302 0.791 0.283 0.800 0.400 CA 0.877 Z: 10 7.403 1.583 0.268 0.846 0.889 0.667 CB 1.027 10 residues pruned to eliminate duplicates Z: 6 4.996 1.626 0.737 0.450 0.800 0.600 CB 1.041 Using tripeptides from previous cycle as seeds Z: 12 15.521 1.701 0.431 0.867 1.000 0.818 CA 1.407 12 residues pruned to eliminate duplicates Z: 12 14.552 1.698 0.493 0.722 1.000 0.545 CB 1.417 12 residues pruned to eliminate duplicates Z: 19 13.491 1.709 0.404 0.677 0.944 0.722 CB 1.192 24 residues pruned to eliminate duplicates Z: 12 14.834 1.708 0.342 0.844 1.000 0.636 CA 1.452 12 residues pruned to eliminate duplicates Z: 12 15.874 1.663 0.520 0.855 1.000 0.909 CB 1.397 12 residues pruned to eliminate duplicates Z: 11 16.940 1.780 0.554 0.867 1.000 0.900 CB 1.417 11 residues pruned to eliminate duplicates Z: 15 12.905 1.728 0.640 0.676 0.929 0.786 CB 1.115 15 residues pruned to eliminate duplicates Z: 23 13.296 1.662 0.447 0.593 0.909 0.636 CB 1.187 23 residues pruned to eliminate duplicates Z: 14 13.899 1.701 0.534 0.665 0.923 0.615 N 1.374 14 residues pruned to eliminate duplicates Z: 36 27.555 1.750 0.567 0.744 0.971 0.686 CB 1.405 36 residues pruned to eliminate duplicates Z: 13 10.257 1.719 0.403 0.706 0.750 0.583 CB 1.358 13 residues pruned to eliminate duplicates Z: 33 29.399 1.798 0.620 0.811 0.969 0.688 CB 1.405 33 residues pruned to eliminate duplicates Z: 35 28.263 1.783 0.626 0.782 0.912 0.706 CB 1.430 35 residues pruned to eliminate duplicates Z: 19 17.750 1.707 0.425 0.694 1.000 0.667 CA 1.441 19 residues pruned to eliminate duplicates Z: 29 25.830 1.754 0.705 0.745 0.964 0.750 CB 1.360 29 residues pruned to eliminate duplicates Z: 22 15.127 1.700 0.410 0.665 0.905 0.667 CB 1.307 22 residues pruned to eliminate duplicates Z: 28 26.061 1.760 0.633 0.754 0.926 0.519 CB 1.504 28 residues pruned to eliminate duplicates Z: 22 25.019 1.799 0.558 0.869 1.000 0.667 CB 1.423 22 residues pruned to eliminate duplicates Z: 20 27.020 1.832 0.767 0.880 0.947 0.632 N 1.464 20 residues pruned to eliminate duplicates Z: 33 28.486 1.809 0.563 0.809 0.938 0.688 CB 1.451 33 residues pruned to eliminate duplicates Z: 20 24.208 1.843 0.508 0.873 0.947 0.789 N 1.536 20 residues pruned to eliminate duplicates Z: 20 28.525 1.832 0.827 0.895 0.947 0.474 CB 1.479 20 residues pruned to eliminate duplicates Z: 31 31.155 1.832 0.654 0.843 0.933 0.733 CB 1.498 31 residues pruned to eliminate duplicates Z: 33 24.563 1.805 0.400 0.817 0.938 0.719 CB 1.392 33 residues pruned to eliminate duplicates Z: 20 29.271 1.830 0.762 0.913 1.000 0.789 CB 1.474 20 residues pruned to eliminate duplicates Z: 19 29.217 1.871 0.746 0.871 1.000 0.611 CB 1.538 19 residues pruned to eliminate duplicates Z: 34 26.843 1.767 0.739 0.761 0.970 0.636 CB 1.244 34 residues pruned to eliminate duplicates Z: 17 23.702 1.883 0.740 0.867 1.000 0.688 CB 1.323 17 residues pruned to eliminate duplicates Z: 21 22.182 1.781 0.711 0.858 0.950 0.700 CB 1.262 21 residues pruned to eliminate duplicates Z: 34 30.244 1.773 0.628 0.815 0.939 0.667 CB 1.477 34 residues pruned to eliminate duplicates Z: 33 30.320 1.793 0.768 0.788 0.969 0.719 CB 1.355 33 residues pruned to eliminate duplicates Z: 23 27.147 1.808 0.840 0.772 0.955 0.818 CB 1.432 23 residues pruned to eliminate duplicates Z: 34 26.469 1.847 0.692 0.771 0.848 0.606 CB 1.368 31 residues pruned to eliminate duplicates Z: 13 11.353 1.733 0.338 0.880 0.833 0.833 CB 1.230 13 residues pruned to eliminate duplicates Z: 13 13.487 1.781 0.436 0.802 0.917 0.667 CA 1.275 13 residues pruned to eliminate duplicates Z: 10 19.571 1.984 0.571 0.899 1.000 1.000 CA 1.496 10 residues pruned to eliminate duplicates Z: 14 22.331 1.821 0.758 0.906 1.000 0.923 CB 1.376 14 residues pruned to eliminate duplicates Z: 17 13.055 1.746 0.382 0.673 0.875 0.625 CB 1.318 17 residues pruned to eliminate duplicates Z: 14 21.038 1.813 0.763 0.889 1.000 0.769 CB 1.314 14 residues pruned to eliminate duplicates Z: 13 17.344 1.845 0.552 0.805 1.000 0.667 CB 1.340 13 residues pruned to eliminate duplicates Z: 14 19.082 1.746 0.802 0.814 1.000 0.769 CB 1.281 14 residues pruned to eliminate duplicates Z: 13 17.817 1.879 0.605 0.898 0.917 0.833 CB 1.330 13 residues pruned to eliminate duplicates Z: 13 13.106 1.809 0.470 0.734 0.917 0.833 CB 1.257 13 residues pruned to eliminate duplicates Z: 14 19.039 1.817 0.689 0.881 0.923 0.846 CB 1.350 14 residues pruned to eliminate duplicates Z: 12 17.907 1.918 0.405 0.911 1.000 0.818 CB 1.419 12 residues pruned to eliminate duplicates Z: 23 22.806 1.842 0.688 0.705 0.909 0.500 CB 1.428 39 residues pruned to eliminate duplicates Z: 16 19.512 1.971 0.612 0.662 0.933 0.733 CB 1.462 Z: 17 16.679 1.847 0.692 0.590 0.938 0.688 CB 1.305 28 residues pruned to eliminate duplicates Z: 14 25.413 1.973 0.710 0.809 1.000 0.769 CB 1.595 14 residues pruned to eliminate duplicates Z: 13 20.842 1.994 0.580 0.811 1.000 0.833 CB 1.457 13 residues pruned to eliminate duplicates Z: 19 12.189 1.867 0.653 0.501 0.722 0.556 CB 1.287 19 residues pruned to eliminate duplicates Z: 35 24.807 1.847 0.680 0.621 0.912 0.559 CB 1.340 72 residues pruned to eliminate duplicates Z: 21 13.235 1.830 0.668 0.523 0.850 0.550 CB 1.114 Z: 14 23.200 1.977 0.651 0.799 1.000 0.846 CB 1.517 21 residues pruned to eliminate duplicates Z: 28 18.539 1.807 0.628 0.567 0.852 0.481 CB 1.335 17 residues pruned to eliminate duplicates Z: 20 9.004 1.730 0.292 0.521 0.842 0.632 CB 1.075 20 residues pruned to eliminate duplicates Z: 48 25.814 1.851 0.583 0.532 0.915 0.660 CB 1.360 47 residues pruned to eliminate duplicates Z: 12 16.401 1.905 0.365 0.829 1.000 0.727 CB 1.432 12 residues pruned to eliminate duplicates Z: 25 10.294 1.784 0.373 0.395 0.875 0.292 CB 1.096 25 residues pruned to eliminate duplicates Z: 23 12.524 1.737 0.469 0.430 0.909 0.545 CB 1.238 23 residues pruned to eliminate duplicates Z: 11 4.037 1.669 0.528 0.133 0.800 0.400 CB 0.989 11 residues pruned to eliminate duplicates Z: 22 6.531 1.610 0.535 0.207 0.810 0.286 CB 1.007 22 residues pruned to eliminate duplicates Z: 17 13.130 1.859 0.378 0.459 0.938 0.375 CB 1.425 17 residues pruned to eliminate duplicates Z: 14 14.393 1.904 0.731 0.501 0.846 0.462 CB 1.430 14 residues pruned to eliminate duplicates Z: 35 24.183 1.902 0.508 0.603 0.941 0.618 CB 1.393 35 residues pruned to eliminate duplicates Z: 19 19.557 1.819 0.756 0.636 0.944 0.556 CB 1.345 19 residues pruned to eliminate duplicates Z: 33 19.427 1.854 0.669 0.490 0.844 0.438 CB 1.329 33 residues pruned to eliminate duplicates Z: 34 20.643 1.860 0.651 0.508 0.848 0.545 CB 1.368 34 residues pruned to eliminate duplicates Z: 30 22.104 1.932 0.608 0.545 0.931 0.448 CB 1.357 30 residues pruned to eliminate duplicates Z: 44 25.304 1.866 0.660 0.594 0.884 0.605 CB 1.288 44 residues pruned to eliminate duplicates Z: 37 21.324 1.867 0.607 0.528 0.861 0.444 CB 1.338 37 residues pruned to eliminate duplicates Z: 17 22.874 1.914 0.754 0.651 0.938 0.625 CB 1.578 17 residues pruned to eliminate duplicates Z: 34 24.958 1.934 0.522 0.590 0.909 0.606 CB 1.490 34 residues pruned to eliminate duplicates Z: 18 19.616 1.895 0.645 0.616 0.941 0.529 CB 1.454 18 residues pruned to eliminate duplicates Z: 30 21.682 1.845 0.552 0.667 0.897 0.690 CB 1.344 31 residues pruned to eliminate duplicates Z: 13 21.773 1.741 0.975 0.850 1.000 0.583 CB 1.354 13 residues pruned to eliminate duplicates Z: 18 16.007 1.889 0.635 0.588 0.824 0.588 CB 1.403 18 residues pruned to eliminate duplicates Z: 24 26.865 1.959 0.874 0.698 0.913 0.652 CB 1.395 24 residues pruned to eliminate duplicates Z: 12 24.119 1.971 0.834 0.830 1.000 0.636 CB 1.512 12 residues pruned to eliminate duplicates Z: 24 28.370 1.981 0.897 0.727 0.913 0.696 CB 1.404 24 residues pruned to eliminate duplicates Z: 25 25.160 1.918 0.766 0.680 0.917 0.542 CB 1.402 25 residues pruned to eliminate duplicates Z: 27 22.688 1.885 0.738 0.636 0.923 0.654 CB 1.295 27 residues pruned to eliminate duplicates Z: 24 24.812 1.945 0.673 0.706 0.957 0.652 CB 1.378 24 residues pruned to eliminate duplicates Z: 25 21.783 1.955 0.719 0.680 0.875 0.750 CB 1.282 25 residues pruned to eliminate duplicates Z: 25 26.900 1.970 0.778 0.701 0.958 0.750 CB 1.362 25 residues pruned to eliminate duplicates Z: 14 21.708 1.964 0.793 0.773 1.000 0.923 CB 1.343 14 residues pruned to eliminate duplicates Z: 14 21.902 1.981 0.772 0.762 1.000 0.846 CB 1.371 14 residues pruned to eliminate duplicates Z: 23 30.026 1.948 0.902 0.789 0.955 0.727 CB 1.404 23 residues pruned to eliminate duplicates Z: 10 15.536 1.930 0.956 0.825 0.889 0.444 CB 1.165 10 residues pruned to eliminate duplicates Z: 10 17.692 2.059 0.797 0.794 0.889 0.222 CB 1.386 10 residues pruned to eliminate duplicates Z: 26 24.318 1.903 0.922 0.655 0.880 0.560 CB 1.308 26 residues pruned to eliminate duplicates Z: 17 13.981 1.903 0.817 0.657 0.812 0.562 CB 1.075 17 residues pruned to eliminate duplicates Z: 22 15.505 1.777 0.796 0.630 0.810 0.381 CB 1.159 22 residues pruned to eliminate duplicates Z: 10 16.346 1.933 1.035 0.872 0.778 0.444 CB 1.298 10 residues pruned to eliminate duplicates Z: 28 25.383 1.891 0.909 0.735 0.852 0.556 CB 1.286 28 residues pruned to eliminate duplicates Z: 19 17.357 1.858 0.798 0.853 0.833 0.611 CB 1.086 19 residues pruned to eliminate duplicates Z: 34 25.216 1.857 0.790 0.778 0.939 0.545 CB 1.100 34 residues pruned to eliminate duplicates Z: 22 7.207 1.637 0.365 0.602 0.857 0.619 CB 0.745 22 residues pruned to eliminate duplicates Z: 19 19.280 1.838 0.911 0.850 0.889 0.722 CB 1.078 19 residues pruned to eliminate duplicates Z: 33 27.912 1.888 0.834 0.797 0.938 0.688 CB 1.172 33 residues pruned to eliminate duplicates Z: 20 20.106 1.850 0.747 0.878 0.842 0.579 CB 1.230 20 residues pruned to eliminate duplicates Z: 34 30.434 1.860 0.883 0.832 0.970 0.667 CB 1.172 34 residues pruned to eliminate duplicates Z: 10 10.481 1.773 0.390 0.782 1.000 0.778 CB 1.106 10 residues pruned to eliminate duplicates Z: 11 9.170 1.747 0.572 0.690 0.800 0.600 CB 1.108 11 residues pruned to eliminate duplicates Z: 14 8.929 1.635 0.580 0.617 0.846 0.462 CB 1.015 13 residues pruned to eliminate duplicates Z: 21 24.749 1.856 0.982 0.898 0.950 0.550 CB 1.133 21 residues pruned to eliminate duplicates Z: 33 24.920 1.856 0.666 0.717 0.906 0.594 CB 1.292 33 residues pruned to eliminate duplicates Z: 40 26.391 1.863 0.805 0.732 0.872 0.590 CB 1.170 40 residues pruned to eliminate duplicates Z: 12 6.368 1.699 0.319 0.563 0.818 0.545 CB 0.985 12 residues pruned to eliminate duplicates Z: 12 8.288 1.682 0.358 0.584 0.909 0.364 CB 1.109 10 residues pruned to eliminate duplicates Z: 8 10.172 1.796 0.394 0.829 0.857 0.714 CB 1.348 8 residues pruned to eliminate duplicates Z: 46 28.818 1.860 0.754 0.783 0.933 0.711 CB 1.100 46 residues pruned to eliminate duplicates Z: 9 8.700 1.769 0.385 0.750 0.875 0.375 CB 1.148 9 residues pruned to eliminate duplicates Z: 31 17.757 1.886 0.386 0.599 0.867 0.567 CB 1.302 35 residues pruned to eliminate duplicates Z: 9 8.020 1.814 0.302 0.680 0.875 0.500 CB 1.163 9 residues pruned to eliminate duplicates Z: 24 11.198 1.680 0.669 0.467 0.870 0.391 CB 0.990 24 residues pruned to eliminate duplicates Z: 36 18.047 1.812 0.529 0.577 0.914 0.571 CB 1.118 36 residues pruned to eliminate duplicates Z: 33 17.116 1.894 0.452 0.573 0.906 0.531 CB 1.131 33 residues pruned to eliminate duplicates Z: 31 16.081 1.867 0.425 0.558 0.867 0.667 CB 1.203 31 residues pruned to eliminate duplicates Z: 46 18.756 1.791 0.483 0.582 0.867 0.533 CB 1.122 39 residues pruned to eliminate duplicates Z: 17 11.420 1.817 0.367 0.560 0.875 0.438 CB 1.239 17 residues pruned to eliminate duplicates Z: 14 8.280 1.796 0.409 0.324 0.923 0.308 CB 1.193 14 residues pruned to eliminate duplicates Z: 16 13.165 1.962 0.557 0.498 0.933 0.533 CB 1.194 16 residues pruned to eliminate duplicates Z: 42 23.270 1.869 0.643 0.620 0.927 0.610 CB 1.141 49 residues pruned to eliminate duplicates Z: 18 11.134 1.783 0.251 0.616 0.882 0.588 CB 1.229 18 residues pruned to eliminate duplicates Z: 34 12.492 1.818 0.387 0.484 0.818 0.485 CB 1.071 34 residues pruned to eliminate duplicates Z: 52 23.638 1.844 0.677 0.648 0.843 0.529 CB 1.106 52 residues pruned to eliminate duplicates Z: 43 20.366 1.831 0.574 0.577 0.905 0.571 CB 1.119 43 residues pruned to eliminate duplicates Z: 26 18.601 1.942 0.403 0.643 0.920 0.600 CB 1.299 26 residues pruned to eliminate duplicates Z: 64 32.343 1.878 0.734 0.631 0.889 0.508 CB 1.245 64 residues pruned to eliminate duplicates Z: 29 21.311 1.928 0.466 0.605 0.929 0.679 CB 1.389 29 residues pruned to eliminate duplicates Z: 13 15.406 1.868 0.392 0.894 0.917 0.917 CB 1.339 13 residues pruned to eliminate duplicates Z: 35 15.261 1.832 0.405 0.493 0.765 0.500 CB 1.339 35 residues pruned to eliminate duplicates Z: 32 22.611 1.896 0.539 0.607 0.968 0.710 CB 1.299 32 residues pruned to eliminate duplicates Z: 20 20.102 1.999 0.625 0.572 0.895 0.737 CB 1.480 20 residues pruned to eliminate duplicates Z: 32 17.905 1.883 0.372 0.583 0.935 0.581 CB 1.228 32 residues pruned to eliminate duplicates Z: 16 16.010 1.923 0.756 0.628 0.867 0.467 CB 1.252 16 residues pruned to eliminate duplicates Z: 22 16.852 1.911 0.407 0.571 0.952 0.571 CB 1.341 22 residues pruned to eliminate duplicates Z: 23 16.607 1.898 0.481 0.532 0.909 0.591 CB 1.342 23 residues pruned to eliminate duplicates Z: 37 17.982 1.833 0.477 0.573 0.917 0.528 CB 1.126 37 residues pruned to eliminate duplicates Z: 68 27.202 1.841 0.601 0.568 0.866 0.522 CB 1.219 68 residues pruned to eliminate duplicates Z: 7 5.881 1.735 0.671 0.576 0.667 0.333 CB 1.154 7 residues pruned to eliminate duplicates Z: 10 4.970 1.790 0.193 0.462 0.667 0.222 CB 1.210 10 residues pruned to eliminate duplicates Z: 9 5.902 1.765 0.319 0.597 0.750 0.250 CB 1.090 9 residues pruned to eliminate duplicates Z: 8 10.047 1.756 0.743 0.706 1.000 0.429 CB 1.029 8 residues pruned to eliminate duplicates Z: 8 6.878 1.783 0.609 0.594 0.714 0.429 CB 1.160 8 residues pruned to eliminate duplicates Z: 15 9.054 1.751 0.547 0.563 0.786 0.286 CB 1.070 15 residues pruned to eliminate duplicates Z: 35 15.938 1.778 0.703 0.595 0.824 0.618 CB 1.001 35 residues pruned to eliminate duplicates Z: 25 11.816 1.840 0.499 0.619 0.750 0.500 CB 1.042 25 residues pruned to eliminate duplicates Z: 19 6.722 1.691 0.155 0.546 0.778 0.500 CB 0.997 19 residues pruned to eliminate duplicates Z: 28 14.109 1.769 0.505 0.514 0.852 0.556 CB 1.180 28 residues pruned to eliminate duplicates Z: 23 11.337 1.748 0.467 0.629 0.818 0.545 CB 1.021 23 residues pruned to eliminate duplicates Z: 17 8.279 1.751 0.307 0.591 0.812 0.375 CB 1.020 17 residues pruned to eliminate duplicates Z: 25 17.225 1.857 0.427 0.747 0.958 0.750 CB 1.110 25 residues pruned to eliminate duplicates Z: 15 17.111 1.888 0.468 0.876 1.000 0.786 CB 1.199 15 residues pruned to eliminate duplicates Z: 22 10.429 1.679 0.530 0.537 0.810 0.429 CB 1.055 22 residues pruned to eliminate duplicates Z: 16 17.215 1.902 0.431 0.883 0.933 0.867 CB 1.266 16 residues pruned to eliminate duplicates Z: 18 21.329 1.948 0.450 0.891 0.941 0.706 CB 1.399 18 residues pruned to eliminate duplicates Z: 39 16.264 1.822 0.255 0.570 0.921 0.605 CB 1.171 27 residues pruned to eliminate duplicates Z: 18 18.930 1.868 0.468 0.808 0.941 0.706 CB 1.360 18 residues pruned to eliminate duplicates Z: 19 13.090 1.883 0.226 0.739 0.889 0.611 CB 1.214 19 residues pruned to eliminate duplicates Z: 30 16.224 1.847 0.423 0.655 0.897 0.448 CB 1.107 30 residues pruned to eliminate duplicates Z: 30 16.826 1.823 0.431 0.699 0.897 0.621 CB 1.114 30 residues pruned to eliminate duplicates Z: 40 26.291 1.894 0.603 0.715 0.897 0.641 CB 1.272 48 residues pruned to eliminate duplicates Z: 18 20.718 1.919 0.420 0.873 1.000 0.765 CB 1.343 18 residues pruned to eliminate duplicates Z: 27 14.454 1.828 0.328 0.628 0.846 0.538 CB 1.223 27 residues pruned to eliminate duplicates Z: 31 21.961 1.903 0.572 0.684 0.933 0.567 CB 1.213 31 residues pruned to eliminate duplicates Z: 31 23.240 1.922 0.697 0.707 0.900 0.600 CB 1.198 31 residues pruned to eliminate duplicates Z: 37 17.428 1.852 0.320 0.600 0.861 0.500 CB 1.255 37 residues pruned to eliminate duplicates Z: 19 13.414 1.872 0.691 0.506 0.833 0.611 CB 1.191 19 residues pruned to eliminate duplicates Z: 18 16.421 1.884 0.680 0.550 0.941 0.588 CB 1.272 16 residues pruned to eliminate duplicates Z: 11 13.929 1.945 0.504 0.781 0.900 0.700 CB 1.306 11 residues pruned to eliminate duplicates Z: 14 11.306 1.781 0.701 0.563 0.923 0.615 CB 1.055 14 residues pruned to eliminate duplicates Z: 32 21.235 1.914 0.490 0.685 0.903 0.710 CB 1.250 32 residues pruned to eliminate duplicates Z: 26 10.961 1.798 0.530 0.365 0.840 0.520 CB 1.097 26 residues pruned to eliminate duplicates Z: 49 20.768 1.864 0.471 0.574 0.833 0.562 CB 1.221 49 residues pruned to eliminate duplicates Z: 33 25.345 1.836 0.623 0.674 0.938 0.594 CB 1.366 33 residues pruned to eliminate duplicates Z: 13 14.978 1.883 0.389 0.699 1.000 0.750 CB 1.379 13 residues pruned to eliminate duplicates Z: 46 22.566 1.857 0.562 0.619 0.911 0.622 CB 1.137 46 residues pruned to eliminate duplicates Z: 18 14.355 1.917 0.526 0.560 0.824 0.588 CB 1.364 19 residues pruned to eliminate duplicates Z: 6 5.299 1.494 0.509 0.668 1.000 0.400 N 0.900 6 residues pruned to eliminate duplicates Z: 14 16.960 1.873 0.561 0.760 0.846 0.538 CB 1.509 14 residues pruned to eliminate duplicates Z: 15 12.491 1.806 0.507 0.727 0.786 0.714 CB 1.273 15 residues pruned to eliminate duplicates Z: 20 15.077 1.830 0.653 0.512 0.895 0.632 CB 1.263 14 residues pruned to eliminate duplicates Z: 15 16.390 1.824 0.503 0.842 1.000 0.929 CB 1.191 15 residues pruned to eliminate duplicates Z: 13 10.473 1.697 0.984 0.467 1.000 0.583 CB 0.929 15 residues pruned to eliminate duplicates Z: 14 21.171 1.850 0.753 0.869 1.000 0.692 CB 1.323 14 residues pruned to eliminate duplicates Z: 15 18.886 1.835 0.706 0.769 1.000 0.929 CB 1.271 15 residues pruned to eliminate duplicates Z: 15 13.161 1.828 0.169 0.755 1.000 0.714 CB 1.312 15 residues pruned to eliminate duplicates Z: 15 17.692 1.872 0.465 0.795 1.000 1.000 CB 1.332 15 residues pruned to eliminate duplicates Z: 17 19.775 1.822 0.592 0.691 0.938 0.750 CB 1.527 17 residues pruned to eliminate duplicates Z: 15 17.803 1.857 0.524 0.782 0.929 0.857 CB 1.411 15 residues pruned to eliminate duplicates Z: 17 18.588 1.819 0.555 0.706 0.938 0.812 CB 1.453 17 residues pruned to eliminate duplicates Z: 18 18.224 1.823 0.474 0.647 0.941 0.882 CB 1.523 18 residues pruned to eliminate duplicates Z: 14 19.529 1.884 0.542 0.830 1.000 0.846 CB 1.402 14 residues pruned to eliminate duplicates Z: 17 14.471 1.792 0.404 0.619 0.875 0.688 CB 1.468 17 residues pruned to eliminate duplicates Z: 30 10.562 1.722 0.389 0.441 0.828 0.345 CB 1.053 30 residues pruned to eliminate duplicates Z: 6 2.206 1.866 0.294 0.104 0.600 0.200 CB 1.128 Z: 14 8.222 1.413 0.315 0.768 0.923 0.692 CB 1.048 14 residues pruned to eliminate duplicates Z: 6 4.137 1.538 0.209 0.853 1.000 0.600 CB 0.735 6 residues pruned to eliminate duplicates Z: 10 9.029 1.580 0.275 0.883 1.000 0.778 CB 1.080 10 residues pruned to eliminate duplicates Z: 11 11.502 1.442 0.754 0.882 0.900 0.600 N 1.156 11 residues pruned to eliminate duplicates Z: 20 11.504 1.584 0.269 0.646 1.000 0.579 CB 1.145 19 residues pruned to eliminate duplicates Z: 11 10.614 1.590 0.393 0.867 1.000 0.800 CB 1.109 11 residues pruned to eliminate duplicates Z: 18 8.267 1.598 0.444 0.613 0.765 0.588 CB 1.021 19 residues pruned to eliminate duplicates Z: 12 11.104 1.589 0.443 0.868 0.909 0.545 CB 1.175 11 residues pruned to eliminate duplicates Z: 10 10.608 1.669 0.608 0.846 0.889 0.667 CB 1.101 10 residues pruned to eliminate duplicates Z: 17 9.448 1.626 0.388 0.638 0.875 0.688 CB 1.051 17 residues pruned to eliminate duplicates Z: 16 9.687 1.663 0.333 0.569 0.933 0.533 CB 1.131 16 residues pruned to eliminate duplicates Z: 37 13.473 1.630 0.493 0.445 0.806 0.583 CB 1.213 37 residues pruned to eliminate duplicates Z: 25 13.740 1.682 0.384 0.614 0.875 0.583 CB 1.236 25 residues pruned to eliminate duplicates Z: 20 10.057 1.569 0.458 0.707 0.789 0.632 CB 1.058 20 residues pruned to eliminate duplicates Z: 50 27.004 1.771 0.556 0.752 0.918 0.735 CB 1.218 49 residues pruned to eliminate duplicates Z: 19 27.935 1.876 0.805 0.927 1.000 0.944 CB 1.362 19 residues pruned to eliminate duplicates Z: 54 23.042 1.733 0.572 0.581 0.887 0.623 CB 1.211 60 residues pruned to eliminate duplicates Z: 36 23.835 1.797 0.663 0.724 0.886 0.543 CB 1.244 36 residues pruned to eliminate duplicates Z: 25 23.208 1.825 0.719 0.689 0.917 0.542 CB 1.386 25 residues pruned to eliminate duplicates Z: 23 23.590 1.814 0.762 0.746 0.955 0.727 CB 1.323 23 residues pruned to eliminate duplicates Z: 19 21.982 1.845 0.865 0.739 0.944 0.500 CB 1.287 19 residues pruned to eliminate duplicates Z: 37 26.739 1.814 0.570 0.728 0.972 0.639 CB 1.311 37 residues pruned to eliminate duplicates Z: 19 28.160 1.859 0.852 0.892 1.000 0.778 CB 1.385 19 residues pruned to eliminate duplicates Z: 36 23.214 1.791 0.668 0.717 0.914 0.486 CB 1.180 36 residues pruned to eliminate duplicates Z: 43 23.071 1.744 0.608 0.662 0.952 0.595 CB 1.147 34 residues pruned to eliminate duplicates Z: 18 29.304 1.886 1.035 0.926 0.941 0.706 CB 1.380 18 residues pruned to eliminate duplicates Z: 42 21.242 1.706 0.705 0.651 0.854 0.341 CB 1.161 42 residues pruned to eliminate duplicates Z: 42 23.893 1.717 0.632 0.701 0.927 0.683 CB 1.196 42 residues pruned to eliminate duplicates Z: 35 22.374 1.743 0.774 0.623 0.882 0.618 CB 1.252 35 residues pruned to eliminate duplicates Z: 22 26.246 1.875 0.990 0.745 0.952 0.429 CB 1.295 22 residues pruned to eliminate duplicates Z: 49 30.977 1.827 0.589 0.763 0.958 0.771 CB 1.272 49 residues pruned to eliminate duplicates Z: 20 28.739 1.880 0.975 0.814 1.000 0.737 CB 1.352 20 residues pruned to eliminate duplicates Z: 23 23.168 1.850 0.738 0.697 0.909 0.591 CB 1.412 23 residues pruned to eliminate duplicates Z: 42 24.332 1.720 0.659 0.694 0.927 0.561 CB 1.204 42 residues pruned to eliminate duplicates Z: 44 22.873 1.761 0.579 0.650 0.860 0.512 CB 1.268 44 residues pruned to eliminate duplicates Z: 49 30.601 1.824 0.513 0.790 0.958 0.708 CB 1.294 49 residues pruned to eliminate duplicates Z: 41 24.448 1.759 0.560 0.730 0.925 0.550 CB 1.238 41 residues pruned to eliminate duplicates Z: 53 29.006 1.791 0.599 0.741 0.942 0.731 CB 1.201 53 residues pruned to eliminate duplicates Z: 13 14.154 1.848 0.258 0.912 1.000 0.917 CB 1.245 13 residues pruned to eliminate duplicates Z: 50 29.191 1.814 0.527 0.766 0.939 0.694 CB 1.267 50 residues pruned to eliminate duplicates Z: 11 14.335 1.946 0.269 0.905 1.000 0.900 CB 1.306 11 residues pruned to eliminate duplicates Z: 12 15.350 1.906 0.605 0.813 0.909 0.818 CB 1.267 12 residues pruned to eliminate duplicates Z: 14 15.710 1.739 0.500 0.827 1.000 0.769 CB 1.259 13 residues pruned to eliminate duplicates Z: 13 18.806 1.874 0.566 0.923 1.000 0.917 CB 1.300 14 residues pruned to eliminate duplicates Z: 11 20.965 1.981 0.748 0.902 1.000 1.000 CB 1.365 11 residues pruned to eliminate duplicates Z: 14 18.603 1.845 0.510 0.909 1.000 0.923 CB 1.315 14 residues pruned to eliminate duplicates Z: 12 17.267 1.906 0.545 0.911 0.909 0.818 CB 1.378 12 residues pruned to eliminate duplicates Z: 11 17.086 1.932 0.396 0.916 1.000 0.900 CB 1.415 11 residues pruned to eliminate duplicates Z: 12 17.094 1.832 0.645 0.929 1.000 0.727 CB 1.197 12 residues pruned to eliminate duplicates Z: 48 25.799 1.758 0.602 0.758 0.894 0.617 CB 1.188 48 residues pruned to eliminate duplicates Z: 26 10.828 1.811 0.367 0.638 0.800 0.440 CB 0.961 24 residues pruned to eliminate duplicates Z: 11 14.828 1.783 0.838 0.894 0.800 0.400 CB 1.283 11 residues pruned to eliminate duplicates Z: 34 21.544 1.799 0.654 0.715 0.909 0.455 CB 1.140 33 residues pruned to eliminate duplicates Z: 11 8.200 1.738 0.687 0.753 0.600 0.100 CB 1.176 11 residues pruned to eliminate duplicates Z: 28 12.803 1.832 0.397 0.670 0.778 0.481 CB 1.058 28 residues pruned to eliminate duplicates Z: 18 14.608 1.885 0.612 0.647 0.882 0.706 CB 1.152 21 residues pruned to eliminate duplicates Z: 22 25.547 1.822 0.819 0.926 1.000 0.905 CB 1.179 22 residues pruned to eliminate duplicates Z: 24 14.249 1.830 0.522 0.558 0.913 0.609 CB 1.104 24 residues pruned to eliminate duplicates Z: 18 10.471 1.925 0.295 0.591 0.882 0.588 CB 1.059 18 residues pruned to eliminate duplicates Z: 49 20.068 1.847 0.609 0.597 0.812 0.542 CB 1.094 49 residues pruned to eliminate duplicates Z: 15 8.833 1.885 0.328 0.590 0.857 0.571 CB 1.010 15 residues pruned to eliminate duplicates Z: 23 12.439 1.855 0.412 0.568 0.909 0.682 CB 1.043 23 residues pruned to eliminate duplicates Z: 54 29.187 1.860 0.707 0.695 0.943 0.679 CB 1.120 50 residues pruned to eliminate duplicates Z: 10 17.599 2.019 0.570 0.907 1.000 1.000 CB 1.315 15 residues pruned to eliminate duplicates Z: 13 14.644 1.923 0.649 0.778 1.000 0.750 CB 1.044 10 residues pruned to eliminate duplicates Z: 11 15.864 1.966 0.884 0.897 1.000 0.900 CB 0.969 13 residues pruned to eliminate duplicates Z: 10 11.577 1.967 0.410 0.903 1.000 1.000 CB 0.992 10 residues pruned to eliminate duplicates Z: 48 24.174 1.851 0.657 0.643 0.894 0.596 CB 1.126 48 residues pruned to eliminate duplicates Z: 58 25.085 1.839 0.681 0.675 0.877 0.509 CB 1.042 106 residues pruned to eliminate duplicates Z: 17 10.010 1.932 0.332 0.623 0.938 0.375 CB 0.924 17 residues pruned to eliminate duplicates Z: 27 13.061 1.835 0.429 0.570 0.885 0.500 CB 1.032 27 residues pruned to eliminate duplicates Z: 27 15.480 1.870 0.471 0.609 0.923 0.615 CB 1.078 27 residues pruned to eliminate duplicates Z: 36 11.653 1.749 0.576 0.472 0.829 0.429 CB 0.887 33 residues pruned to eliminate duplicates Z: 12 7.828 1.642 0.814 0.685 0.818 0.545 CB 0.817 12 residues pruned to eliminate duplicates Z: 9 5.797 1.707 0.696 0.462 0.750 0.500 CB 0.981 9 residues pruned to eliminate duplicates Z: 20 9.876 1.683 0.666 0.510 0.789 0.368 CB 1.014 14 residues pruned to eliminate duplicates Z: 6 6.032 1.753 0.738 0.826 0.800 0.400 CB 0.835 6 residues pruned to eliminate duplicates Z: 10 6.471 1.616 0.780 0.604 0.667 0.222 N 1.018 10 residues pruned to eliminate duplicates Z: 10 7.473 1.734 0.533 0.766 0.889 0.333 CB 0.833 10 residues pruned to eliminate duplicates Z: 18 6.415 1.628 0.613 0.538 0.824 0.294 CB 0.693 18 residues pruned to eliminate duplicates Z: 13 7.677 1.673 0.642 0.639 0.833 0.333 CB 0.850 13 residues pruned to eliminate duplicates Z: 10 9.532 1.808 0.902 0.734 0.889 0.333 CB 0.842 10 residues pruned to eliminate duplicates Z: 11 7.935 1.779 0.678 0.632 0.900 0.600 CB 0.825 11 residues pruned to eliminate duplicates Z: 6 3.282 1.730 0.449 0.424 0.600 0.200 CB 1.056 6 residues pruned to eliminate duplicates Z: 11 5.944 1.573 0.472 0.540 0.800 0.400 CB 0.976 11 residues pruned to eliminate duplicates Z: 15 6.191 1.674 0.392 0.492 0.857 0.357 CB 0.835 15 residues pruned to eliminate duplicates Z: 7 2.451 1.594 0.203 0.083 0.833 0.500 CB 1.073 Z: 6 4.555 1.619 0.060 0.785 1.000 0.600 CB 0.924 4 residues pruned to eliminate duplicates Z: 6 3.901 1.701 0.235 0.633 0.800 0.600 CB 0.916 6 residues pruned to eliminate duplicates Z: 33 9.956 1.735 0.504 0.474 0.750 0.438 CB 0.924 30 residues pruned to eliminate duplicates Z: 6 5.064 1.831 0.411 0.477 0.800 0.400 CB 1.121 6 residues pruned to eliminate duplicates Z: 20 8.581 1.806 0.325 0.407 0.842 0.579 CB 1.077 22 residues pruned to eliminate duplicates Z: 19 17.722 1.855 0.491 0.848 0.944 0.833 CB 1.186 9 residues pruned to eliminate duplicates Z: 8 12.592 2.046 0.105 0.835 1.000 0.714 CB 1.576 8 residues pruned to eliminate duplicates Z: 17 14.528 1.904 0.480 0.830 1.000 0.938 CB 0.969 17 residues pruned to eliminate duplicates Z: 13 8.081 1.936 0.043 0.604 0.917 0.417 CB 1.141 13 residues pruned to eliminate duplicates Z: 39 14.891 1.790 0.484 0.572 0.816 0.526 CB 1.040 39 residues pruned to eliminate duplicates Z: 9 8.483 1.992 0.141 0.572 0.875 0.500 CB 1.407 9 residues pruned to eliminate duplicates Z: 18 13.926 1.932 0.264 0.712 1.000 0.824 CB 1.141 18 residues pruned to eliminate duplicates Z: 23 15.472 1.846 0.361 0.747 0.909 0.636 CB 1.158 23 residues pruned to eliminate duplicates Z: 29 13.626 1.818 0.386 0.604 0.857 0.500 CB 1.080 30 residues pruned to eliminate duplicates Z: 14 15.755 1.800 0.647 0.832 1.000 0.615 CB 1.107 14 residues pruned to eliminate duplicates Z: 17 20.018 1.842 0.627 0.853 1.000 0.688 CB 1.234 16 residues pruned to eliminate duplicates Z: 15 18.907 1.926 0.665 0.852 0.929 0.714 CB 1.255 15 residues pruned to eliminate duplicates Z: 16 13.991 1.801 0.593 0.667 0.867 0.733 CB 1.245 16 residues pruned to eliminate duplicates Z: 11 11.571 1.771 0.704 0.539 0.900 0.600 CB 1.296 9 residues pruned to eliminate duplicates Z: 8 14.796 1.805 0.782 0.848 1.000 0.714 CB 1.290 8 residues pruned to eliminate duplicates Z: 28 14.664 1.856 0.393 0.586 0.889 0.593 CB 1.130 28 residues pruned to eliminate duplicates Z: 44 22.963 1.834 0.527 0.589 0.907 0.558 CB 1.266 16 residues pruned to eliminate duplicates Z: 9 12.008 1.733 0.692 0.733 0.875 0.500 N 1.341 9 residues pruned to eliminate duplicates Z: 42 24.861 1.802 0.721 0.706 0.878 0.683 CB 1.182 36 residues pruned to eliminate duplicates Z: 24 14.195 1.729 0.535 0.703 0.870 0.696 CB 1.066 24 residues pruned to eliminate duplicates Z: 36 16.155 1.825 0.383 0.581 0.857 0.486 CB 1.167 36 residues pruned to eliminate duplicates Z: 33 18.509 1.759 0.521 0.617 0.938 0.688 CB 1.168 33 residues pruned to eliminate duplicates Z: 31 19.627 1.801 0.584 0.675 0.900 0.733 CB 1.188 31 residues pruned to eliminate duplicates Z: 29 20.421 1.745 0.648 0.644 0.964 0.679 CB 1.217 29 residues pruned to eliminate duplicates Z: 14 17.929 1.818 0.522 0.836 1.000 0.692 CB 1.345 14 residues pruned to eliminate duplicates Z: 34 20.322 1.814 0.495 0.722 0.939 0.758 CB 1.136 34 residues pruned to eliminate duplicates Z: 26 17.759 1.849 0.400 0.709 0.880 0.760 CB 1.290 26 residues pruned to eliminate duplicates Z: 27 20.475 1.761 0.606 0.603 0.923 0.654 CB 1.394 28 residues pruned to eliminate duplicates Z: 14 18.589 1.774 0.844 0.791 0.923 0.692 CB 1.323 14 residues pruned to eliminate duplicates Z: 36 24.782 1.841 0.703 0.704 0.914 0.629 CB 1.214 36 residues pruned to eliminate duplicates Z: 13 15.850 1.850 0.594 0.766 0.917 0.750 CB 1.336 13 residues pruned to eliminate duplicates Z: 41 26.359 1.843 0.557 0.735 0.950 0.650 CB 1.238 34 residues pruned to eliminate duplicates Z: 35 24.869 1.781 0.595 0.808 0.971 0.706 CB 1.183 35 residues pruned to eliminate duplicates Z: 38 23.436 1.814 0.614 0.685 0.892 0.568 CB 1.246 38 residues pruned to eliminate duplicates Z: 27 18.573 1.836 0.651 0.685 0.885 0.654 CB 1.146 27 residues pruned to eliminate duplicates Z: 35 24.581 1.835 0.590 0.741 0.912 0.647 CB 1.278 35 residues pruned to eliminate duplicates Z: 17 17.711 1.881 0.634 0.714 0.938 0.438 CB 1.266 17 residues pruned to eliminate duplicates Z: 21 13.429 1.721 0.651 0.611 0.750 0.400 CB 1.269 21 residues pruned to eliminate duplicates Z: 37 18.916 1.747 0.726 0.677 0.889 0.583 CB 0.999 37 residues pruned to eliminate duplicates Z: 36 24.874 1.853 0.673 0.712 0.886 0.571 CB 1.264 36 residues pruned to eliminate duplicates Z: 21 17.192 1.816 0.833 0.755 0.900 0.550 CB 1.022 21 residues pruned to eliminate duplicates Z: 32 17.754 1.772 0.595 0.633 0.871 0.452 CB 1.143 32 residues pruned to eliminate duplicates Z: 43 28.029 1.808 0.735 0.756 0.905 0.643 CB 1.213 43 residues pruned to eliminate duplicates 348 residues left after pruning, divided into chains as follows: A: 49 B: 66 C: 53 D: 59 E: 121 CC for partial structure against native data = 38.67 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.506, Connect. = 0.691 for dens.mod. cycle 1 = 0.300, Contrast = 0.586, Connect. = 0.720 for dens.mod. cycle 2 = 0.300, Contrast = 0.703, Connect. = 0.749 for dens.mod. cycle 3 = 0.300, Contrast = 0.720, Connect. = 0.750 for dens.mod. cycle 4 = 0.300, Contrast = 0.734, Connect. = 0.752 for dens.mod. cycle 5 = 0.300, Contrast = 0.739, Connect. = 0.753 for dens.mod. cycle 6 = 0.300, Contrast = 0.743, Connect. = 0.755 for dens.mod. cycle 7 = 0.300, Contrast = 0.745, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.745, Connect. = 0.757 for dens.mod. cycle 9 = 0.300, Contrast = 0.746, Connect. = 0.757 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1357 peaks > 0.5 sigma used to seed fragment search Space for about 598 unique residues taking solvent into account 330 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 10 14.786 1.919 0.468 0.908 1.000 0.889 CB 1.242 B: 23 19.412 1.811 0.263 0.905 1.000 0.909 CB 1.288 C: 7 9.003 2.063 0.015 0.789 1.000 1.000 CB 1.363 D: 13 18.470 1.913 0.392 0.904 1.000 1.000 CB 1.426 E: 13 19.140 1.833 0.636 0.898 1.000 0.833 CB 1.318 F: 7 11.237 1.998 0.331 0.779 1.000 0.667 CB 1.350 7 residues pruned to eliminate duplicates G: 13 17.309 1.855 0.585 0.928 1.000 0.917 CB 1.190 13 residues pruned to eliminate duplicates H: 13 16.487 1.843 0.511 0.906 1.000 0.833 CB 1.216 13 residues pruned to eliminate duplicates I: 15 15.306 1.870 0.317 0.888 1.000 0.929 CB 1.197 J: 21 29.585 1.841 0.737 0.920 1.000 0.750 CB 1.458 K: 13 17.006 1.847 0.424 0.912 1.000 0.917 CB 1.322 L: 11 17.296 2.019 0.517 0.857 1.000 0.800 CB 1.316 11 residues pruned to eliminate duplicates M: 14 15.680 1.775 0.401 0.907 1.000 0.923 CB 1.243 14 residues pruned to eliminate duplicates N: 14 19.128 1.831 0.508 0.919 1.000 1.000 CB 1.354 13 residues pruned to eliminate duplicates O: 11 20.394 1.838 0.826 0.846 1.000 0.500 CB 1.427 P: 13 20.709 1.707 0.911 0.812 1.000 0.667 N 1.397 11 residues pruned to eliminate duplicates Q: 20 30.259 1.929 0.878 0.934 1.000 0.895 CB 1.336 23 residues pruned to eliminate duplicates R: 12 22.917 2.008 0.657 0.915 1.000 0.909 CB 1.467 12 residues pruned to eliminate duplicates S: 12 14.465 1.852 0.567 0.924 1.000 0.909 CB 1.055 12 residues pruned to eliminate duplicates T: 13 23.643 1.843 0.961 0.836 1.000 0.667 CB 1.414 U: 14 15.608 1.703 0.757 0.820 0.846 0.615 CB 1.295 V: 12 13.578 1.857 0.582 0.874 1.000 0.727 CB 1.014 W: 15 19.473 1.730 0.696 0.854 0.929 0.857 CB 1.411 11 residues pruned to eliminate duplicates X: 13 15.249 1.815 0.426 0.847 1.000 0.917 CB 1.262 13 residues pruned to eliminate duplicates Y: 7 8.885 2.035 0.118 0.848 0.833 0.833 CB 1.419 7 residues pruned to eliminate duplicates Z: 22 29.334 1.810 0.696 0.927 1.000 0.857 CB 1.461 22 residues pruned to eliminate duplicates Z: 13 12.448 1.823 0.577 0.899 1.000 0.667 CB 0.893 13 residues pruned to eliminate duplicates Z: 23 19.129 1.791 0.345 0.889 1.000 0.682 CB 1.218 21 residues pruned to eliminate duplicates Z: 14 14.376 1.796 0.496 0.866 0.923 0.769 CB 1.177 14 residues pruned to eliminate duplicates Z: 16 12.255 1.880 0.371 0.837 0.867 0.667 CB 1.060 16 residues pruned to eliminate duplicates Z: 19 25.286 1.819 0.680 0.912 1.000 0.944 CB 1.382 Z: 12 19.439 1.960 0.357 0.874 1.000 0.909 CB 1.604 12 residues pruned to eliminate duplicates Z: 13 11.363 1.827 0.450 0.851 1.000 0.833 CB 0.916 Z: 7 3.132 1.776 0.367 0.871 1.000 0.833 CB 0.384 Z: 20 18.876 1.805 0.853 0.918 0.947 0.632 CB 0.963 9 residues pruned to eliminate duplicates Z: 14 14.077 1.786 0.439 0.810 0.923 0.769 CB 1.256 14 residues pruned to eliminate duplicates Z: 19 27.059 1.801 0.875 0.914 1.000 0.833 CB 1.335 19 residues pruned to eliminate duplicates Z: 21 18.694 1.790 0.911 0.881 0.950 0.450 CB 0.931 21 residues pruned to eliminate duplicates Z: 23 22.695 1.822 0.561 0.900 1.000 0.818 CB 1.214 23 residues pruned to eliminate duplicates Z: 17 18.072 1.926 0.417 0.869 1.000 0.938 CB 1.209 15 residues pruned to eliminate duplicates Z: 21 27.771 1.756 0.710 0.876 1.000 0.600 CB 1.503 21 residues pruned to eliminate duplicates Z: 6 3.921 1.547 0.091 0.800 0.800 0.800 CB 0.998 Z: 13 17.556 1.746 0.837 0.875 0.917 0.750 CB 1.254 13 residues pruned to eliminate duplicates Z: 15 18.681 1.918 0.634 0.905 1.000 0.857 CB 1.133 16 residues pruned to eliminate duplicates Z: 14 13.869 1.857 0.422 0.839 0.923 0.846 CB 1.178 7 residues pruned to eliminate duplicates Z: 10 16.455 1.744 0.686 0.800 1.000 0.667 CB 1.435 9 residues pruned to eliminate duplicates Z: 18 25.461 1.802 0.748 0.897 0.941 0.824 N 1.490 17 residues pruned to eliminate duplicates Z: 10 11.320 1.830 0.766 0.770 0.889 0.667 CB 1.034 Z: 15 11.241 1.652 0.430 0.822 0.929 0.714 CB 1.036 Z: 14 21.573 1.740 0.963 0.890 0.923 0.769 CB 1.366 13 residues pruned to eliminate duplicates Z: 12 20.355 1.807 0.594 0.850 1.000 0.727 N 1.578 12 residues pruned to eliminate duplicates Z: 14 18.114 1.765 0.696 0.848 0.923 0.538 CB 1.348 14 residues pruned to eliminate duplicates Z: 13 16.730 1.848 0.475 0.808 1.000 0.917 CB 1.355 13 residues pruned to eliminate duplicates Z: 6 5.814 1.883 0.670 0.866 1.000 1.000 CB 0.605 7 residues pruned to eliminate duplicates Z: 15 19.210 1.665 0.951 0.796 1.000 0.714 CB 1.220 15 residues pruned to eliminate duplicates Z: 22 21.861 1.884 0.432 0.900 1.000 0.857 CB 1.263 22 residues pruned to eliminate duplicates Z: 12 19.682 1.973 0.368 0.892 1.000 0.818 CB 1.579 13 residues pruned to eliminate duplicates Z: 13 11.375 1.853 0.240 0.817 0.917 0.917 CB 1.183 13 residues pruned to eliminate duplicates Z: 23 22.689 1.834 0.565 0.891 0.955 0.909 CB 1.269 23 residues pruned to eliminate duplicates Z: 12 13.411 1.870 0.765 0.809 0.818 0.545 CB 1.144 12 residues pruned to eliminate duplicates Z: 13 17.159 1.824 0.542 0.906 1.000 0.917 CB 1.253 13 residues pruned to eliminate duplicates Z: 23 18.503 1.816 0.773 0.918 0.909 0.727 CB 0.950 23 residues pruned to eliminate duplicates Z: 14 14.107 1.749 0.552 0.841 1.000 0.692 CB 1.075 14 residues pruned to eliminate duplicates Z: 13 17.132 1.933 0.529 0.560 1.000 0.667 CB 1.578 10 residues pruned to eliminate duplicates Z: 20 29.517 1.863 0.776 0.902 1.000 0.789 N 1.460 21 residues pruned to eliminate duplicates Z: 12 18.385 1.893 0.852 0.915 0.909 0.909 CB 1.229 13 residues pruned to eliminate duplicates Z: 59 26.191 1.815 0.506 0.763 0.897 0.517 CB 1.112 59 residues pruned to eliminate duplicates Z: 16 14.484 1.942 0.323 0.848 1.000 0.867 CB 1.080 16 residues pruned to eliminate duplicates Z: 12 18.051 1.916 0.652 0.907 0.909 0.818 CB 1.344 12 residues pruned to eliminate duplicates Z: 12 18.692 1.808 0.628 0.880 1.000 0.818 CB 1.387 12 residues pruned to eliminate duplicates Z: 11 13.245 1.761 0.293 0.883 1.000 1.000 CB 1.330 Z: 19 23.798 1.812 0.627 0.924 1.000 0.833 CB 1.336 19 residues pruned to eliminate duplicates Z: 13 13.601 1.847 0.483 0.871 0.917 0.833 CB 1.140 13 residues pruned to eliminate duplicates Z: 13 16.625 1.821 0.448 0.916 1.000 0.917 CB 1.286 13 residues pruned to eliminate duplicates Z: 17 18.989 1.938 0.429 0.889 1.000 0.750 CB 1.234 16 residues pruned to eliminate duplicates Z: 11 14.156 1.862 0.847 0.842 0.900 0.900 CB 1.078 11 residues pruned to eliminate duplicates Z: 12 16.651 1.845 0.700 0.826 1.000 0.545 CB 1.207 12 residues pruned to eliminate duplicates Z: 14 15.086 1.766 0.711 0.825 0.923 0.692 CB 1.132 13 residues pruned to eliminate duplicates Z: 6 4.878 1.662 0.114 0.761 0.800 0.800 CB 1.169 6 residues pruned to eliminate duplicates Z: 13 16.588 1.899 0.454 0.837 1.000 0.833 CB 1.297 13 residues pruned to eliminate duplicates Z: 6 8.254 1.721 0.106 0.781 1.000 1.000 O 1.513 5 residues pruned to eliminate duplicates Z: 20 21.517 1.789 0.669 0.902 0.947 0.789 CB 1.245 20 residues pruned to eliminate duplicates Z: 9 8.083 1.779 0.379 0.793 0.875 0.625 CB 1.029 Z: 13 13.673 1.762 0.424 0.836 0.917 0.667 CB 1.284 13 residues pruned to eliminate duplicates Z: 19 28.840 1.877 0.670 0.929 1.000 0.833 CB 1.518 19 residues pruned to eliminate duplicates Z: 27 19.962 1.789 0.686 0.721 1.000 0.654 CB 1.063 25 residues pruned to eliminate duplicates Z: 13 14.258 1.853 0.568 0.799 0.917 0.917 CB 1.190 14 residues pruned to eliminate duplicates Z: 12 10.133 1.506 0.618 0.702 0.818 0.636 N 1.275 Z: 22 24.785 1.768 0.722 0.917 0.952 0.762 CB 1.316 22 residues pruned to eliminate duplicates Z: 12 15.680 1.663 0.596 0.859 1.000 0.818 N 1.310 11 residues pruned to eliminate duplicates Z: 18 14.771 1.800 0.534 0.853 0.941 0.765 CB 1.019 18 residues pruned to eliminate duplicates Z: 8 4.037 1.511 0.454 0.720 0.857 0.429 CB 0.664 Z: 9 8.914 1.751 0.666 0.759 0.875 0.750 CB 0.981 9 residues pruned to eliminate duplicates Z: 7 8.807 1.826 0.236 0.878 0.833 0.833 CB 1.387 9 residues pruned to eliminate duplicates Z: 12 21.137 1.866 0.787 0.862 1.000 0.818 CB 1.404 13 residues pruned to eliminate duplicates Z: 11 14.705 1.745 0.563 0.850 1.000 0.700 CB 1.263 11 residues pruned to eliminate duplicates Z: 13 14.151 1.730 0.371 0.771 1.000 0.833 CB 1.354 13 residues pruned to eliminate duplicates Z: 17 11.320 1.783 0.380 0.518 0.875 0.500 CB 1.291 17 residues pruned to eliminate duplicates Z: 11 13.473 1.682 0.471 0.834 1.000 0.900 CB 1.291 11 residues pruned to eliminate duplicates Z: 11 14.392 1.732 0.667 0.880 1.000 0.900 CB 1.142 11 residues pruned to eliminate duplicates Z: 51 17.201 1.806 0.413 0.473 0.860 0.500 CB 1.140 36 residues pruned to eliminate duplicates Z: 13 16.143 1.734 0.683 0.760 0.917 0.917 N 1.382 13 residues pruned to eliminate duplicates Z: 13 20.210 1.785 0.664 0.852 1.000 0.750 CB 1.453 13 residues pruned to eliminate duplicates Z: 15 14.611 1.652 0.657 0.795 0.929 0.643 CB 1.186 15 residues pruned to eliminate duplicates Z: 17 26.748 1.814 0.806 0.858 1.000 0.688 N 1.504 17 residues pruned to eliminate duplicates Z: 32 15.252 1.857 0.429 0.548 0.839 0.581 CB 1.173 32 residues pruned to eliminate duplicates Z: 12 16.194 1.643 0.635 0.807 1.000 0.636 CB 1.391 12 residues pruned to eliminate duplicates Z: 12 13.315 1.933 0.432 0.723 1.000 0.727 CB 1.185 12 residues pruned to eliminate duplicates Z: 17 23.294 1.818 0.771 0.847 0.938 0.688 CB 1.432 17 residues pruned to eliminate duplicates Z: 11 8.648 1.539 0.423 0.865 1.000 0.700 CB 0.915 Z: 6 6.876 1.776 0.550 0.842 1.000 1.000 CB 0.832 Z: 11 15.461 1.774 0.578 0.774 1.000 0.700 CB 1.371 12 residues pruned to eliminate duplicates Z: 13 19.699 1.861 0.825 0.818 1.000 0.667 CB 1.270 13 residues pruned to eliminate duplicates Z: 8 9.676 1.736 0.539 0.846 0.857 0.857 CB 1.186 8 residues pruned to eliminate duplicates Z: 32 19.873 1.906 0.550 0.574 0.968 0.613 CB 1.162 32 residues pruned to eliminate duplicates 6 1.775 1.639 1.167 0.390 0.400 0.400 CB 0.628 ? Z: 6 2.148 1.609 0.767 0.419 0.600 0.400 CB 0.613 Z: 15 23.524 1.809 0.531 0.930 1.000 0.929 O 1.587 15 residues pruned to eliminate duplicates Z: 10 5.295 1.506 0.691 0.306 0.889 0.444 CB 0.967 Z: 11 14.174 1.835 0.620 0.883 1.000 0.400 CB 1.091 11 residues pruned to eliminate duplicates Z: 17 24.422 1.838 0.728 0.925 0.938 0.750 CB 1.439 17 residues pruned to eliminate duplicates Z: 8 9.790 1.756 0.311 0.867 1.000 0.857 CB 1.176 8 residues pruned to eliminate duplicates Z: 8 2.734 1.284 0.401 0.309 0.714 0.429 N 0.993 Z: 21 18.342 1.853 0.230 0.924 1.000 0.950 CB 1.264 21 residues pruned to eliminate duplicates Z: 19 25.947 1.799 0.986 0.906 0.944 0.833 CB 1.289 19 residues pruned to eliminate duplicates Z: 14 15.751 1.721 1.011 0.797 0.923 0.385 CB 1.055 14 residues pruned to eliminate duplicates Z: 22 27.951 1.833 0.790 0.908 1.000 0.762 CB 1.320 22 residues pruned to eliminate duplicates Z: 11 11.773 1.675 0.822 0.872 1.000 0.900 CB 0.889 11 residues pruned to eliminate duplicates Z: 12 19.581 1.889 0.633 0.905 1.000 0.818 CB 1.362 12 residues pruned to eliminate duplicates Z: 13 11.751 1.685 0.594 0.847 1.000 0.833 CB 0.938 13 residues pruned to eliminate duplicates Z: 12 16.609 1.740 0.784 0.862 1.000 0.909 CB 1.184 11 residues pruned to eliminate duplicates Z: 7 7.761 1.723 0.449 0.807 0.833 0.500 CB 1.165 7 residues pruned to eliminate duplicates Z: 29 14.117 1.830 0.407 0.624 0.786 0.500 CB 1.174 29 residues pruned to eliminate duplicates Z: 17 14.970 1.692 0.728 0.771 0.812 0.438 CB 1.240 17 residues pruned to eliminate duplicates Z: 13 8.246 1.527 0.453 0.803 0.750 0.417 N 1.098 13 residues pruned to eliminate duplicates Z: 12 11.687 1.691 0.475 0.758 0.909 0.909 CB 1.235 11 residues pruned to eliminate duplicates Z: 14 18.069 1.761 0.654 0.847 1.000 0.692 CB 1.277 14 residues pruned to eliminate duplicates Z: 9 6.842 1.653 0.451 0.716 0.875 0.625 CB 0.948 9 residues pruned to eliminate duplicates Z: 8 7.625 1.711 0.400 0.734 0.857 0.286 CB 1.137 8 residues pruned to eliminate duplicates Z: 9 12.010 1.773 0.797 0.854 1.000 0.875 CB 0.984 8 residues pruned to eliminate duplicates Z: 11 22.048 1.901 0.730 0.877 1.000 0.500 CB 1.540 11 residues pruned to eliminate duplicates Z: 18 9.707 1.505 0.503 0.514 0.882 0.412 N 1.164 18 residues pruned to eliminate duplicates Z: 12 9.820 1.643 0.345 0.882 1.000 1.000 CB 0.970 14 residues pruned to eliminate duplicates Z: 8 10.402 1.739 0.674 0.794 1.000 0.857 CB 1.044 8 residues pruned to eliminate duplicates Z: 23 19.505 1.808 0.405 0.871 0.955 0.864 CB 1.250 23 residues pruned to eliminate duplicates Z: 17 23.501 1.809 0.830 0.801 1.000 0.562 CB 1.364 17 residues pruned to eliminate duplicates Z: 7 4.025 1.570 0.639 0.780 1.000 0.667 CB 0.499 Z: 10 13.014 1.632 0.422 0.886 1.000 0.667 CB 1.349 10 residues pruned to eliminate duplicates Z: 12 13.261 1.612 0.421 0.794 1.000 0.545 CA 1.349 12 residues pruned to eliminate duplicates 8 1.631 1.630 0.897 0.655 1.000 0.571 CB 0.173 ? Z: 13 13.961 1.895 0.472 0.859 0.833 0.750 CB 1.277 13 residues pruned to eliminate duplicates Z: 20 11.330 1.873 0.244 0.563 0.789 0.474 CB 1.329 20 residues pruned to eliminate duplicates Z: 12 12.905 1.770 0.691 0.750 0.909 0.455 CB 1.144 11 residues pruned to eliminate duplicates Z: 12 11.031 1.809 0.485 0.805 0.909 0.818 CB 1.044 12 residues pruned to eliminate duplicates Z: 6 3.716 1.378 0.904 0.343 0.800 0.800 N 0.939 Z: 12 17.543 1.714 0.711 0.871 1.000 0.636 CB 1.316 12 residues pruned to eliminate duplicates Z: 23 19.136 1.798 0.347 0.900 1.000 0.909 CB 1.203 23 residues pruned to eliminate duplicates Z: 10 8.963 1.722 0.673 0.737 0.778 0.222 CB 1.078 10 residues pruned to eliminate duplicates Z: 13 14.524 1.815 0.438 0.917 1.000 0.917 CB 1.134 13 residues pruned to eliminate duplicates Z: 10 9.818 1.623 1.020 0.742 0.889 0.667 CB 0.904 10 residues pruned to eliminate duplicates Z: 12 15.808 1.800 0.539 0.869 1.000 0.727 CB 1.257 12 residues pruned to eliminate duplicates Z: 18 16.083 1.677 0.737 0.850 0.941 0.706 CB 1.053 18 residues pruned to eliminate duplicates Z: 10 9.480 1.650 0.606 0.749 0.889 0.778 CB 1.074 11 residues pruned to eliminate duplicates Z: 6 2.426 1.522 0.358 0.438 0.800 0.400 N 0.700 Z: 6 4.303 1.417 0.663 0.453 1.000 0.800 CB 0.857 9 1.948 1.147 0.707 0.235 0.750 0.500 CB 0.638 ? Z: 19 29.705 1.826 0.970 0.907 1.000 0.833 CB 1.383 19 residues pruned to eliminate duplicates Z: 8 3.650 1.592 0.145 0.307 0.714 0.571 CB 1.313 Z: 11 6.422 1.635 0.311 0.848 1.000 0.900 CB 0.703 Z: 7 3.243 1.390 0.421 0.326 0.667 0.667 CB 1.217 Z: 6 5.683 1.713 0.830 0.756 1.000 0.800 CB 0.645 Z: 8 7.043 1.706 0.285 0.870 0.857 0.714 CB 1.034 8 residues pruned to eliminate duplicates Z: 11 4.174 1.650 0.601 0.481 0.600 0.300 CB 0.849 11 residues pruned to eliminate duplicates Z: 19 20.512 1.766 0.454 0.908 1.000 0.944 CB 1.338 19 residues pruned to eliminate duplicates Z: 18 19.059 1.795 0.578 0.892 1.000 0.765 CB 1.172 18 residues pruned to eliminate duplicates Z: 12 13.382 1.783 0.699 0.788 0.909 0.364 CB 1.137 12 residues pruned to eliminate duplicates Z: 7 2.597 1.372 0.097 0.461 0.833 0.500 CB 0.880 Z: 16 14.307 1.829 0.744 0.660 0.867 0.600 CB 1.151 16 residues pruned to eliminate duplicates Z: 15 18.648 1.791 0.573 0.910 0.929 0.857 CB 1.352 15 residues pruned to eliminate duplicates Z: 11 8.855 1.773 0.492 0.821 0.800 0.700 CB 1.002 11 residues pruned to eliminate duplicates Z: 7 5.332 1.570 0.310 0.737 0.833 0.667 CB 1.026 6 residues pruned to eliminate duplicates Z: 7 7.030 1.702 0.302 0.817 0.833 0.500 CB 1.181 7 residues pruned to eliminate duplicates Z: 13 12.519 1.900 0.120 0.858 0.917 0.750 CB 1.364 13 residues pruned to eliminate duplicates Z: 12 13.376 1.750 0.742 0.623 1.000 0.818 CB 1.178 12 residues pruned to eliminate duplicates Z: 7 4.149 1.682 0.717 0.859 0.833 0.833 CB 0.518 Z: 12 20.063 1.912 0.612 0.917 1.000 0.909 CB 1.385 12 residues pruned to eliminate duplicates Z: 11 7.699 1.612 0.099 0.797 1.000 0.700 CB 1.060 11 residues pruned to eliminate duplicates Z: 23 13.519 1.729 0.590 0.541 0.909 0.500 CB 1.108 23 residues pruned to eliminate duplicates Z: 6 3.290 1.483 0.779 0.263 0.600 0.600 O 1.219 6 residues pruned to eliminate duplicates Z: 10 4.472 1.568 0.391 0.833 1.000 1.000 CB 0.513 Z: 18 16.510 1.754 0.848 0.910 1.000 0.824 CB 0.876 18 residues pruned to eliminate duplicates Z: 12 13.292 1.838 0.602 0.746 1.000 0.818 CB 1.092 12 residues pruned to eliminate duplicates Z: 8 10.744 2.031 0.332 0.731 0.857 0.714 CB 1.423 8 residues pruned to eliminate duplicates Z: 12 15.515 1.826 0.684 0.818 0.909 0.636 CB 1.270 12 residues pruned to eliminate duplicates Z: 17 25.726 1.862 0.614 0.899 1.000 0.750 CB 1.530 17 residues pruned to eliminate duplicates Z: 13 6.880 1.513 0.497 0.478 0.750 0.500 CB 1.195 13 residues pruned to eliminate duplicates Z: 7 3.708 1.741 0.317 0.311 0.667 0.500 CB 1.222 7 residues pruned to eliminate duplicates Z: 7 2.718 1.422 0.023 0.356 0.833 0.500 CB 1.069 Using tripeptides from previous cycle as seeds Z: 12 12.925 1.637 0.607 0.811 0.909 0.727 N 1.243 12 residues pruned to eliminate duplicates Z: 13 15.842 1.584 0.672 0.882 1.000 0.833 N 1.249 13 residues pruned to eliminate duplicates Z: 13 12.942 1.698 0.389 0.725 1.000 0.750 CB 1.294 13 residues pruned to eliminate duplicates Z: 32 24.533 1.778 0.479 0.807 0.903 0.710 CB 1.419 32 residues pruned to eliminate duplicates Z: 13 11.920 1.669 0.279 0.767 1.000 0.750 CB 1.272 13 residues pruned to eliminate duplicates Z: 12 9.115 1.728 0.313 0.542 0.818 0.818 CA 1.421 12 residues pruned to eliminate duplicates Z: 17 8.783 1.575 0.470 0.529 0.812 0.438 CB 1.134 17 residues pruned to eliminate duplicates Z: 33 25.780 1.800 0.521 0.777 0.938 0.656 CB 1.391 33 residues pruned to eliminate duplicates Z: 20 12.294 1.688 0.520 0.583 0.895 0.526 CB 1.134 20 residues pruned to eliminate duplicates Z: 13 10.541 1.764 0.371 0.712 0.833 0.750 CB 1.246 13 residues pruned to eliminate duplicates Z: 20 11.562 1.707 0.286 0.676 0.895 0.579 CB 1.149 20 residues pruned to eliminate duplicates Z: 32 24.591 1.810 0.452 0.821 0.935 0.774 CB 1.359 32 residues pruned to eliminate duplicates Z: 13 4.774 1.464 0.369 0.498 0.750 0.583 CB 0.919 13 residues pruned to eliminate duplicates Z: 31 27.169 1.809 0.497 0.828 0.967 0.733 CB 1.427 31 residues pruned to eliminate duplicates Z: 31 20.995 1.774 0.506 0.670 0.933 0.700 CB 1.314 31 residues pruned to eliminate duplicates Z: 28 24.518 1.809 0.574 0.777 0.963 0.704 CB 1.347 28 residues pruned to eliminate duplicates Z: 19 29.246 1.882 0.705 0.922 1.000 0.833 N 1.511 19 residues pruned to eliminate duplicates Z: 19 29.304 1.886 0.651 0.927 1.000 0.778 N 1.555 19 residues pruned to eliminate duplicates Z: 21 20.415 1.751 0.581 0.749 0.900 0.550 CB 1.466 21 residues pruned to eliminate duplicates Z: 20 22.886 1.750 0.786 0.813 0.895 0.737 CB 1.430 20 residues pruned to eliminate duplicates Z: 21 21.585 1.753 0.594 0.882 0.900 0.650 N 1.389 21 residues pruned to eliminate duplicates Z: 21 26.470 1.862 0.630 0.900 0.950 0.850 CB 1.467 21 residues pruned to eliminate duplicates Z: 31 24.040 1.803 0.760 0.704 0.900 0.500 CB 1.276 31 residues pruned to eliminate duplicates Z: 22 22.084 1.769 0.651 0.813 0.905 0.619 CB 1.389 22 residues pruned to eliminate duplicates Z: 19 21.359 1.793 0.746 0.692 0.944 0.667 N 1.428 19 residues pruned to eliminate duplicates Z: 32 19.464 1.760 0.463 0.679 0.839 0.710 CB 1.373 32 residues pruned to eliminate duplicates Z: 33 19.841 1.728 0.607 0.628 0.844 0.562 CB 1.328 33 residues pruned to eliminate duplicates Z: 33 22.678 1.762 0.711 0.715 0.875 0.562 CB 1.250 33 residues pruned to eliminate duplicates Z: 20 29.456 1.857 1.009 0.815 1.000 0.789 CB 1.377 19 residues pruned to eliminate duplicates Z: 18 31.580 1.773 1.003 0.900 1.000 0.765 CB 1.541 18 residues pruned to eliminate duplicates Z: 22 24.021 1.825 0.763 0.829 0.952 0.714 CB 1.287 22 residues pruned to eliminate duplicates Z: 22 22.680 1.787 0.790 0.729 0.905 0.762 CB 1.392 22 residues pruned to eliminate duplicates Z: 37 22.778 1.751 0.687 0.765 0.833 0.667 CB 1.219 36 residues pruned to eliminate duplicates Z: 14 14.859 1.804 0.435 0.809 0.923 0.846 CB 1.318 14 residues pruned to eliminate duplicates Z: 8 4.601 1.569 -0.037 0.607 0.857 0.143 CB 1.213 8 residues pruned to eliminate duplicates Z: 18 10.895 1.621 0.543 0.667 0.765 0.647 CB 1.184 18 residues pruned to eliminate duplicates Z: 11 15.907 1.950 0.470 0.861 0.900 0.700 CB 1.433 11 residues pruned to eliminate duplicates Z: 12 11.798 1.865 0.305 0.692 0.909 0.636 CB 1.349 12 residues pruned to eliminate duplicates Z: 12 17.943 1.895 0.610 0.897 1.000 0.727 CB 1.269 12 residues pruned to eliminate duplicates Z: 11 15.791 1.909 0.600 0.890 1.000 0.900 CB 1.176 11 residues pruned to eliminate duplicates Z: 14 14.112 1.831 0.581 0.816 0.846 0.615 CB 1.214 14 residues pruned to eliminate duplicates Z: 11 17.971 1.994 0.551 0.847 0.900 0.800 CB 1.515 11 residues pruned to eliminate duplicates Z: 13 14.302 1.840 0.638 0.711 0.833 0.583 CB 1.357 13 residues pruned to eliminate duplicates Z: 11 15.817 1.897 0.549 0.863 1.000 0.800 CB 1.248 11 residues pruned to eliminate duplicates Z: 12 14.650 1.858 0.647 0.784 0.909 0.727 CB 1.236 12 residues pruned to eliminate duplicates Z: 12 14.386 1.881 0.224 0.893 1.000 0.727 CB 1.353 12 residues pruned to eliminate duplicates Z: 10 19.247 1.893 0.694 0.802 1.000 0.889 N 1.536 10 residues pruned to eliminate duplicates Z: 12 16.006 1.712 0.853 0.771 0.909 0.636 N 1.316 12 residues pruned to eliminate duplicates Z: 21 19.445 1.849 0.702 0.641 0.900 0.650 CB 1.346 20 residues pruned to eliminate duplicates Z: 11 18.757 1.819 0.911 0.890 0.900 0.800 N 1.363 11 residues pruned to eliminate duplicates Z: 25 24.376 1.860 0.675 0.709 0.958 0.708 CB 1.379 25 residues pruned to eliminate duplicates Z: 26 23.212 1.855 0.795 0.672 0.920 0.600 CB 1.294 26 residues pruned to eliminate duplicates Z: 24 22.746 1.930 0.844 0.693 0.870 0.696 CB 1.285 24 residues pruned to eliminate duplicates Z: 27 22.775 1.784 0.718 0.630 0.962 0.500 CB 1.341 27 residues pruned to eliminate duplicates Z: 27 20.531 1.888 0.687 0.589 0.923 0.462 CB 1.258 27 residues pruned to eliminate duplicates Z: 25 23.571 1.915 0.780 0.693 0.958 0.667 CB 1.234 25 residues pruned to eliminate duplicates Z: 22 28.581 1.999 0.660 0.780 1.000 0.714 CB 1.468 22 residues pruned to eliminate duplicates Z: 21 10.123 1.794 0.812 0.369 0.750 0.450 CB 1.068 21 residues pruned to eliminate duplicates Z: 17 8.435 1.803 0.676 0.325 0.750 0.500 CB 1.128 17 residues pruned to eliminate duplicates Z: 21 19.529 1.961 0.616 0.680 0.850 0.700 CB 1.374 21 residues pruned to eliminate duplicates Z: 23 23.222 1.966 0.661 0.727 0.955 0.591 CB 1.295 23 residues pruned to eliminate duplicates Z: 17 13.677 1.910 0.725 0.578 0.812 0.438 CB 1.184 17 residues pruned to eliminate duplicates Z: 22 26.363 1.982 0.743 0.776 0.952 0.667 CB 1.370 22 residues pruned to eliminate duplicates Z: 28 21.795 1.852 0.702 0.662 0.889 0.556 CB 1.288 28 residues pruned to eliminate duplicates Z: 23 21.916 1.951 0.687 0.720 0.864 0.409 CB 1.348 23 residues pruned to eliminate duplicates Z: 11 17.628 1.876 0.980 0.820 0.900 0.600 CB 1.264 11 residues pruned to eliminate duplicates Z: 24 22.879 1.916 0.686 0.797 0.913 0.522 CB 1.247 24 residues pruned to eliminate duplicates Z: 32 25.492 1.858 0.699 0.803 0.903 0.613 CB 1.233 32 residues pruned to eliminate duplicates Z: 31 27.861 1.918 0.779 0.793 0.933 0.700 CB 1.235 31 residues pruned to eliminate duplicates Z: 18 18.295 1.855 0.670 0.838 0.882 0.647 CB 1.213 18 residues pruned to eliminate duplicates Z: 12 9.721 1.761 0.324 0.837 1.000 0.818 CB 0.940 12 residues pruned to eliminate duplicates Z: 34 30.852 1.896 0.895 0.828 0.939 0.727 CB 1.198 34 residues pruned to eliminate duplicates Z: 18 18.501 1.811 0.935 0.911 0.882 0.706 CB 1.029 18 residues pruned to eliminate duplicates Z: 29 21.447 1.837 0.774 0.805 0.893 0.786 CB 1.068 29 residues pruned to eliminate duplicates Z: 31 21.781 1.845 0.701 0.744 0.900 0.467 CB 1.132 31 residues pruned to eliminate duplicates Z: 16 10.852 1.696 0.833 0.655 0.867 0.733 CB 0.900 16 residues pruned to eliminate duplicates Z: 22 26.507 1.787 1.065 0.889 1.000 0.571 CB 1.128 21 residues pruned to eliminate duplicates Z: 12 15.559 1.825 1.060 0.878 1.000 0.818 CB 0.905 12 residues pruned to eliminate duplicates Z: 34 31.700 1.889 0.887 0.836 0.970 0.667 CB 1.195 34 residues pruned to eliminate duplicates Z: 20 25.301 1.832 1.196 0.879 1.000 0.579 CB 1.046 20 residues pruned to eliminate duplicates Z: 40 21.773 1.754 0.582 0.710 0.897 0.615 CB 1.157 43 residues pruned to eliminate duplicates Z: 9 13.164 1.819 0.688 0.729 1.000 0.875 CB 1.233 9 residues pruned to eliminate duplicates Z: 12 8.453 1.754 0.843 0.630 0.818 0.273 CB 0.853 12 residues pruned to eliminate duplicates Z: 72 35.067 1.869 0.707 0.659 0.915 0.577 CB 1.230 70 residues pruned to eliminate duplicates Z: 9 9.457 1.790 0.563 0.810 0.875 0.625 CB 1.042 9 residues pruned to eliminate duplicates Z: 11 7.216 1.721 0.666 0.559 0.700 0.500 CB 1.073 11 residues pruned to eliminate duplicates Z: 31 20.959 1.921 0.497 0.624 0.933 0.600 CB 1.269 31 residues pruned to eliminate duplicates Z: 52 25.210 1.884 0.593 0.686 0.863 0.608 CB 1.149 52 residues pruned to eliminate duplicates Z: 21 15.358 1.782 0.781 0.699 0.900 0.600 CB 1.003 21 residues pruned to eliminate duplicates Z: 29 13.837 1.918 0.271 0.491 0.821 0.500 CB 1.317 29 residues pruned to eliminate duplicates Z: 20 22.508 1.988 0.493 0.599 1.000 0.684 CB 1.583 20 residues pruned to eliminate duplicates Z: 20 19.983 2.032 0.492 0.600 0.947 0.737 CB 1.451 20 residues pruned to eliminate duplicates Z: 36 20.085 1.859 0.592 0.601 0.943 0.543 CB 1.105 36 residues pruned to eliminate duplicates Z: 22 13.700 1.810 0.502 0.475 0.952 0.524 CB 1.185 22 residues pruned to eliminate duplicates Z: 37 21.135 1.869 0.471 0.553 0.917 0.528 CB 1.327 37 residues pruned to eliminate duplicates Z: 62 27.705 1.857 0.616 0.608 0.885 0.541 CB 1.205 62 residues pruned to eliminate duplicates Z: 29 22.309 1.967 0.502 0.619 0.929 0.571 CB 1.373 29 residues pruned to eliminate duplicates Z: 39 22.364 1.914 0.622 0.616 0.921 0.526 CB 1.137 39 residues pruned to eliminate duplicates Z: 24 17.868 1.854 0.443 0.489 0.957 0.609 CB 1.473 24 residues pruned to eliminate duplicates Z: 32 19.897 1.917 0.408 0.614 0.968 0.581 CB 1.228 32 residues pruned to eliminate duplicates Z: 51 27.910 1.861 0.728 0.664 0.920 0.460 CB 1.146 51 residues pruned to eliminate duplicates Z: 66 33.155 1.867 0.631 0.708 0.938 0.677 CB 1.191 66 residues pruned to eliminate duplicates Z: 31 20.512 1.906 0.453 0.604 0.900 0.600 CB 1.361 31 residues pruned to eliminate duplicates Z: 33 19.530 1.926 0.427 0.595 0.938 0.656 CB 1.224 33 residues pruned to eliminate duplicates Z: 21 19.778 2.007 0.465 0.545 1.000 0.650 CB 1.439 21 residues pruned to eliminate duplicates Z: 19 20.433 2.004 0.463 0.594 0.944 0.556 CB 1.590 19 residues pruned to eliminate duplicates Z: 33 19.418 1.905 0.565 0.596 0.906 0.562 CB 1.159 33 residues pruned to eliminate duplicates Z: 30 22.157 1.938 0.431 0.618 0.966 0.586 CB 1.375 30 residues pruned to eliminate duplicates Z: 22 14.850 1.965 0.303 0.587 0.857 0.571 CB 1.359 22 residues pruned to eliminate duplicates Z: 7 5.101 1.788 0.277 0.521 0.833 0.333 CB 1.072 7 residues pruned to eliminate duplicates Z: 27 14.713 1.937 0.425 0.550 0.731 0.538 CB 1.362 27 residues pruned to eliminate duplicates Z: 8 5.703 1.838 0.175 0.613 0.714 0.429 CB 1.255 8 residues pruned to eliminate duplicates Z: 11 7.346 1.842 0.241 0.496 0.800 0.400 CB 1.275 11 residues pruned to eliminate duplicates Z: 41 20.671 1.883 0.450 0.550 0.875 0.575 CB 1.302 41 residues pruned to eliminate duplicates Z: 37 12.174 1.707 0.404 0.479 0.806 0.472 CB 1.073 50 residues pruned to eliminate duplicates Z: 27 15.703 1.877 0.470 0.679 0.885 0.538 CB 1.070 27 residues pruned to eliminate duplicates Z: 56 23.815 1.860 0.496 0.599 0.873 0.491 CB 1.203 56 residues pruned to eliminate duplicates Z: 28 14.009 1.801 0.546 0.556 0.815 0.556 CB 1.125 28 residues pruned to eliminate duplicates Z: 22 13.809 1.839 0.513 0.630 0.857 0.714 CB 1.118 22 residues pruned to eliminate duplicates Z: 13 7.987 1.810 0.105 0.789 0.833 0.417 CB 1.074 13 residues pruned to eliminate duplicates Z: 20 15.815 1.887 0.405 0.710 0.895 0.474 CB 1.264 20 residues pruned to eliminate duplicates Z: 16 9.893 1.843 0.335 0.641 0.867 0.733 CB 1.050 16 residues pruned to eliminate duplicates Z: 20 12.606 1.884 0.185 0.720 0.895 0.579 CB 1.187 20 residues pruned to eliminate duplicates Z: 17 14.804 1.854 0.407 0.826 0.875 0.688 CB 1.223 17 residues pruned to eliminate duplicates Z: 26 15.888 1.873 0.341 0.731 0.880 0.640 CB 1.168 26 residues pruned to eliminate duplicates Z: 29 14.554 1.797 0.382 0.678 0.821 0.536 CB 1.145 29 residues pruned to eliminate duplicates Z: 36 21.182 1.859 0.520 0.683 0.943 0.657 CB 1.136 16 residues pruned to eliminate duplicates Z: 16 18.162 1.929 0.492 0.822 1.000 0.667 CB 1.233 16 residues pruned to eliminate duplicates Z: 26 13.639 1.786 0.304 0.633 0.880 0.480 CB 1.175 26 residues pruned to eliminate duplicates Z: 18 15.260 1.931 0.255 0.852 0.941 0.706 CB 1.200 18 residues pruned to eliminate duplicates Z: 31 20.864 1.895 0.468 0.719 0.900 0.667 CB 1.249 31 residues pruned to eliminate duplicates Z: 20 13.416 1.891 0.281 0.710 0.895 0.579 CB 1.173 20 residues pruned to eliminate duplicates Z: 29 16.569 1.834 0.563 0.684 0.857 0.429 CB 1.076 29 residues pruned to eliminate duplicates Z: 29 16.054 1.794 0.413 0.619 0.929 0.607 CB 1.152 29 residues pruned to eliminate duplicates Z: 33 20.613 1.898 0.523 0.678 0.938 0.656 CB 1.141 33 residues pruned to eliminate duplicates Z: 29 20.594 1.940 0.532 0.725 0.929 0.679 CB 1.151 29 residues pruned to eliminate duplicates Z: 37 17.907 1.856 0.292 0.626 0.917 0.556 CB 1.206 37 residues pruned to eliminate duplicates Z: 47 23.731 1.903 0.495 0.590 0.891 0.609 CB 1.267 48 residues pruned to eliminate duplicates Z: 12 13.559 1.826 0.296 0.837 1.000 0.909 CB 1.292 12 residues pruned to eliminate duplicates Z: 31 20.385 1.930 0.465 0.721 0.933 0.667 CB 1.155 31 residues pruned to eliminate duplicates Z: 36 22.435 1.946 0.553 0.626 0.857 0.629 CB 1.300 36 residues pruned to eliminate duplicates Z: 17 9.885 1.810 0.472 0.519 0.812 0.562 CB 1.121 17 residues pruned to eliminate duplicates Z: 16 17.821 1.921 0.630 0.595 1.000 0.733 CB 1.342 19 residues pruned to eliminate duplicates Z: 13 18.911 1.868 0.548 0.745 1.000 0.667 CB 1.516 13 residues pruned to eliminate duplicates Z: 72 27.913 1.870 0.498 0.510 0.930 0.577 CB 1.260 72 residues pruned to eliminate duplicates Z: 32 25.136 1.925 0.593 0.716 0.903 0.645 CB 1.341 32 residues pruned to eliminate duplicates Z: 46 24.369 1.882 0.490 0.596 0.889 0.600 CB 1.329 42 residues pruned to eliminate duplicates Z: 14 17.746 1.829 0.413 0.796 0.923 0.692 CB 1.592 14 residues pruned to eliminate duplicates Z: 29 18.467 1.892 0.409 0.542 0.929 0.571 CB 1.353 29 residues pruned to eliminate duplicates Z: 43 24.552 1.902 0.528 0.615 0.929 0.548 CB 1.260 43 residues pruned to eliminate duplicates Z: 18 11.680 1.902 0.315 0.490 0.941 0.471 CB 1.215 18 residues pruned to eliminate duplicates Z: 25 15.370 1.814 0.524 0.392 0.958 0.667 CB 1.327 25 residues pruned to eliminate duplicates Z: 19 8.871 1.679 0.599 0.433 0.833 0.444 CB 1.002 19 residues pruned to eliminate duplicates Z: 14 8.666 1.712 0.603 0.420 0.846 0.308 CB 1.125 14 residues pruned to eliminate duplicates Z: 18 9.894 1.749 0.620 0.410 0.882 0.529 CB 1.054 18 residues pruned to eliminate duplicates Z: 14 8.416 1.739 0.583 0.387 0.846 0.615 CB 1.130 14 residues pruned to eliminate duplicates Z: 14 7.220 1.695 0.421 0.583 0.923 0.462 CB 0.832 14 residues pruned to eliminate duplicates Z: 14 6.720 1.685 0.669 0.365 0.846 0.462 CB 0.905 14 residues pruned to eliminate duplicates Z: 19 7.640 1.618 0.427 0.396 0.778 0.667 CB 1.118 19 residues pruned to eliminate duplicates Z: 10 8.874 1.775 0.589 0.577 0.889 0.778 CB 1.096 10 residues pruned to eliminate duplicates 6 1.377 1.741 0.239 0.154 0.800 0.400 CB 0.546 ? Z: 25 5.896 1.651 0.372 0.324 0.792 0.292 CB 0.815 25 residues pruned to eliminate duplicates Z: 9 2.331 1.715 0.151 0.169 0.875 0.250 CB 0.713 Z: 11 7.331 1.522 0.286 0.808 1.000 0.700 CB 0.906 11 residues pruned to eliminate duplicates Z: 12 5.125 1.545 0.122 0.527 0.909 0.545 CB 0.955 12 residues pruned to eliminate duplicates Z: 11 7.389 1.628 0.217 0.835 0.900 0.700 CB 0.982 11 residues pruned to eliminate duplicates Z: 15 4.079 1.623 0.287 0.411 0.929 0.500 CB 0.616 15 residues pruned to eliminate duplicates Z: 11 8.598 1.646 0.148 0.875 1.000 0.900 CB 1.046 11 residues pruned to eliminate duplicates Z: 9 6.464 1.594 0.251 0.897 0.875 0.625 CB 0.938 9 residues pruned to eliminate duplicates Z: 16 7.528 1.577 0.087 0.627 0.933 0.733 CB 1.078 15 residues pruned to eliminate duplicates Z: 9 7.178 1.630 0.120 0.888 1.000 0.625 CB 1.001 9 residues pruned to eliminate duplicates Z: 12 8.289 1.648 0.211 0.784 0.909 0.545 CB 1.073 12 residues pruned to eliminate duplicates Z: 11 8.120 1.571 0.206 0.795 1.000 0.600 CB 1.046 13 residues pruned to eliminate duplicates Z: 15 11.753 1.609 0.358 0.774 0.929 0.714 CB 1.215 11 residues pruned to eliminate duplicates Z: 31 18.286 1.740 0.329 0.811 0.967 0.700 CB 1.139 32 residues pruned to eliminate duplicates Z: 29 19.370 1.767 0.357 0.801 0.964 0.714 CB 1.216 29 residues pruned to eliminate duplicates Z: 21 12.530 1.643 0.392 0.672 0.950 0.600 CB 1.101 21 residues pruned to eliminate duplicates Z: 23 21.588 1.850 0.670 0.725 0.955 0.864 CB 1.274 23 residues pruned to eliminate duplicates Z: 24 19.254 1.642 0.657 0.766 1.000 0.739 CB 1.165 24 residues pruned to eliminate duplicates Z: 25 16.167 1.645 0.522 0.737 0.958 0.708 CB 1.112 25 residues pruned to eliminate duplicates Z: 11 7.682 1.588 0.665 0.524 0.800 0.500 N 1.121 11 residues pruned to eliminate duplicates Z: 12 8.949 1.623 0.804 0.485 0.818 0.636 N 1.143 12 residues pruned to eliminate duplicates Z: 10 6.854 1.594 0.634 0.562 0.778 0.444 CB 1.062 10 residues pruned to eliminate duplicates Z: 22 20.972 1.834 0.760 0.683 0.905 0.571 CB 1.325 22 residues pruned to eliminate duplicates Z: 33 21.662 1.759 0.565 0.659 0.938 0.562 CB 1.281 29 residues pruned to eliminate duplicates Z: 19 28.836 1.814 0.912 0.944 1.000 0.611 CB 1.357 19 residues pruned to eliminate duplicates Z: 19 24.650 1.890 0.730 0.772 0.944 0.667 CB 1.478 19 residues pruned to eliminate duplicates Z: 21 22.078 1.872 0.706 0.725 0.950 0.550 CB 1.329 21 residues pruned to eliminate duplicates Z: 28 25.192 1.851 0.605 0.764 1.000 0.741 CB 1.291 28 residues pruned to eliminate duplicates Z: 47 23.836 1.757 0.488 0.711 0.891 0.630 CB 1.245 47 residues pruned to eliminate duplicates Z: 22 24.491 1.857 0.829 0.701 0.905 0.571 CB 1.448 22 residues pruned to eliminate duplicates Z: 22 22.501 1.833 0.695 0.717 0.952 0.667 CB 1.363 22 residues pruned to eliminate duplicates Z: 19 24.225 1.872 0.922 0.756 0.944 0.556 CB 1.338 19 residues pruned to eliminate duplicates Z: 23 23.902 1.836 0.890 0.642 0.909 0.545 CB 1.414 23 residues pruned to eliminate duplicates Z: 27 22.111 1.754 0.625 0.687 0.962 0.577 CB 1.333 27 residues pruned to eliminate duplicates Z: 19 13.534 1.703 0.652 0.568 0.889 0.333 CB 1.194 19 residues pruned to eliminate duplicates Z: 25 19.502 1.769 0.671 0.663 0.875 0.667 CB 1.324 25 residues pruned to eliminate duplicates Z: 22 21.189 1.854 0.721 0.720 0.952 0.667 CB 1.247 22 residues pruned to eliminate duplicates Z: 37 21.664 1.763 0.536 0.698 0.944 0.667 CB 1.180 37 residues pruned to eliminate duplicates Z: 35 27.564 1.853 0.518 0.790 0.971 0.676 CB 1.343 35 residues pruned to eliminate duplicates Z: 35 27.230 1.840 0.563 0.781 0.971 0.794 CB 1.306 35 residues pruned to eliminate duplicates Z: 47 25.124 1.777 0.532 0.741 0.913 0.609 CB 1.201 47 residues pruned to eliminate duplicates Z: 33 29.735 1.894 0.647 0.782 0.969 0.719 CB 1.357 33 residues pruned to eliminate duplicates Z: 34 23.689 1.840 0.487 0.781 0.939 0.545 CB 1.252 34 residues pruned to eliminate duplicates Z: 28 18.764 1.786 0.432 0.690 0.889 0.667 CB 1.336 28 residues pruned to eliminate duplicates Z: 12 17.012 1.884 0.440 0.915 1.000 1.000 CB 1.336 12 residues pruned to eliminate duplicates Z: 12 19.034 1.945 0.633 0.890 0.909 0.909 CB 1.430 12 residues pruned to eliminate duplicates Z: 12 16.917 1.870 0.679 0.812 0.909 0.818 CB 1.362 11 residues pruned to eliminate duplicates Z: 13 19.410 1.838 0.573 0.894 1.000 0.667 CB 1.391 13 residues pruned to eliminate duplicates Z: 13 18.361 1.885 0.628 0.924 1.000 0.917 CB 1.212 13 residues pruned to eliminate duplicates Z: 34 29.997 1.832 0.779 0.775 0.939 0.606 CB 1.338 34 residues pruned to eliminate duplicates Z: 34 30.017 1.893 0.738 0.807 0.939 0.697 CB 1.293 35 residues pruned to eliminate duplicates Z: 16 16.650 1.768 0.535 0.747 1.000 0.667 CB 1.270 16 residues pruned to eliminate duplicates Z: 15 12.853 1.716 0.700 0.646 1.000 0.571 CB 1.028 15 residues pruned to eliminate duplicates Z: 15 13.992 1.830 0.503 0.676 0.857 0.571 CB 1.348 15 residues pruned to eliminate duplicates Z: 20 12.244 1.802 0.387 0.610 0.842 0.579 CB 1.201 20 residues pruned to eliminate duplicates Z: 29 21.865 1.889 0.441 0.791 0.929 0.714 CB 1.266 29 residues pruned to eliminate duplicates Z: 14 13.375 1.794 0.716 0.542 0.846 0.385 CB 1.367 14 residues pruned to eliminate duplicates Z: 32 22.268 1.883 0.715 0.697 0.871 0.645 CB 1.188 32 residues pruned to eliminate duplicates Z: 24 24.066 1.907 0.670 0.693 0.957 0.696 CB 1.381 24 residues pruned to eliminate duplicates Z: 26 18.059 1.853 0.289 0.710 0.960 0.760 CB 1.302 26 residues pruned to eliminate duplicates Z: 17 15.222 1.805 0.541 0.633 0.938 0.438 CB 1.288 17 residues pruned to eliminate duplicates Z: 45 24.131 1.852 0.528 0.710 0.932 0.614 CB 1.141 45 residues pruned to eliminate duplicates Z: 25 18.558 1.827 0.446 0.622 0.917 0.625 CB 1.394 25 residues pruned to eliminate duplicates Z: 33 20.152 1.819 0.396 0.718 0.938 0.688 CB 1.228 33 residues pruned to eliminate duplicates Z: 26 16.595 1.862 0.452 0.657 0.880 0.600 CB 1.205 26 residues pruned to eliminate duplicates Z: 15 8.316 1.669 0.323 0.625 0.857 0.429 CB 1.044 15 residues pruned to eliminate duplicates Z: 28 22.833 1.796 0.750 0.680 1.000 0.593 CB 1.186 28 residues pruned to eliminate duplicates Z: 20 18.559 1.897 0.414 0.784 0.947 0.789 CB 1.305 20 residues pruned to eliminate duplicates Z: 24 19.209 1.867 0.448 0.772 0.913 0.739 CB 1.275 24 residues pruned to eliminate duplicates Z: 19 20.383 1.889 0.667 0.792 0.889 0.722 CB 1.328 19 residues pruned to eliminate duplicates Z: 67 34.513 1.889 0.587 0.715 0.939 0.727 CB 1.241 69 residues pruned to eliminate duplicates Z: 22 23.528 1.855 0.662 0.885 1.000 0.905 CB 1.202 22 residues pruned to eliminate duplicates Z: 23 18.503 1.785 0.640 0.702 0.955 0.591 CB 1.174 23 residues pruned to eliminate duplicates Z: 37 23.604 1.839 0.574 0.692 0.944 0.667 CB 1.208 37 residues pruned to eliminate duplicates Z: 38 25.155 1.907 0.555 0.749 0.946 0.568 CB 1.181 37 residues pruned to eliminate duplicates Z: 22 23.727 1.855 0.632 0.899 1.000 0.667 CB 1.222 22 residues pruned to eliminate duplicates Z: 49 22.263 1.788 0.562 0.600 0.917 0.604 CB 1.141 49 residues pruned to eliminate duplicates Z: 80 31.131 1.832 0.562 0.651 0.899 0.658 CB 1.183 68 residues pruned to eliminate duplicates Z: 21 29.385 1.873 0.936 0.896 1.000 0.900 CB 1.298 21 residues pruned to eliminate duplicates Z: 22 19.241 1.975 0.581 0.684 0.857 0.619 CB 1.325 25 residues pruned to eliminate duplicates Z: 21 29.509 1.939 0.949 0.897 1.000 0.500 CB 1.250 21 residues pruned to eliminate duplicates Z: 48 31.124 1.865 0.796 0.715 0.936 0.638 CB 1.192 48 residues pruned to eliminate duplicates Z: 27 22.609 1.928 0.595 0.713 0.962 0.615 CB 1.237 27 residues pruned to eliminate duplicates Z: 28 22.490 1.862 0.784 0.693 0.926 0.556 CB 1.180 28 residues pruned to eliminate duplicates Z: 23 26.720 1.847 0.903 0.895 1.000 0.818 CB 1.162 23 residues pruned to eliminate duplicates Z: 68 30.133 1.861 0.703 0.666 0.881 0.537 CB 1.131 68 residues pruned to eliminate duplicates Z: 51 27.483 1.843 0.551 0.728 0.940 0.680 CB 1.178 51 residues pruned to eliminate duplicates Z: 26 20.676 1.942 0.551 0.733 0.880 0.600 CB 1.266 26 residues pruned to eliminate duplicates Z: 13 13.816 1.915 0.508 0.678 1.000 0.750 CB 1.173 11 residues pruned to eliminate duplicates Z: 11 12.909 1.889 0.397 0.845 0.900 0.700 CB 1.278 11 residues pruned to eliminate duplicates Z: 16 7.540 1.899 0.447 0.520 0.733 0.533 CB 0.947 16 residues pruned to eliminate duplicates Z: 24 20.125 1.906 0.693 0.699 0.870 0.565 CB 1.248 24 residues pruned to eliminate duplicates Z: 64 31.425 1.872 0.752 0.718 0.889 0.571 CB 1.115 63 residues pruned to eliminate duplicates Z: 11 15.011 1.921 0.684 0.878 1.000 0.700 CB 1.065 12 residues pruned to eliminate duplicates Z: 10 13.611 1.890 0.653 0.855 1.000 0.778 CB 1.071 10 residues pruned to eliminate duplicates Z: 48 29.502 1.911 0.719 0.707 0.957 0.660 CB 1.133 48 residues pruned to eliminate duplicates Z: 25 20.725 1.908 0.648 0.695 0.958 0.583 CB 1.174 25 residues pruned to eliminate duplicates Z: 15 7.537 1.840 0.609 0.611 0.786 0.000 CB 0.780 15 residues pruned to eliminate duplicates Z: 38 13.822 1.790 0.496 0.555 0.811 0.486 CB 0.992 38 residues pruned to eliminate duplicates Z: 23 9.794 1.782 0.424 0.580 0.818 0.500 CB 0.931 19 residues pruned to eliminate duplicates Z: 6 3.068 1.493 0.688 0.458 0.600 0.200 CB 0.947 6 residues pruned to eliminate duplicates Z: 9 9.017 1.715 0.655 0.802 0.875 0.625 CB 0.986 9 residues pruned to eliminate duplicates Z: 11 7.470 1.647 0.493 0.500 0.800 0.300 CB 1.200 11 residues pruned to eliminate duplicates Z: 11 8.441 1.699 0.953 0.588 0.800 0.300 CB 0.924 11 residues pruned to eliminate duplicates Z: 9 9.518 1.687 0.807 0.600 0.875 0.250 CB 1.147 9 residues pruned to eliminate duplicates Z: 10 8.902 1.660 0.829 0.573 0.889 0.444 CB 1.024 10 residues pruned to eliminate duplicates Z: 10 9.689 1.761 0.780 0.806 1.000 0.556 CB 0.789 10 residues pruned to eliminate duplicates Z: 17 7.936 1.701 0.599 0.533 0.812 0.312 CB 0.869 12 residues pruned to eliminate duplicates 6 1.860 1.571 0.327 0.326 0.600 0.400 CB 0.805 ? Z: 12 5.594 1.725 0.829 0.603 0.545 0.273 CB 0.889 11 residues pruned to eliminate duplicates Z: 6 4.050 1.662 0.301 0.579 0.800 0.200 CB 0.971 6 residues pruned to eliminate duplicates Z: 15 7.469 1.853 0.396 0.539 0.714 0.429 CB 1.040 15 residues pruned to eliminate duplicates Z: 21 7.288 1.753 0.345 0.469 0.800 0.450 CB 0.892 21 residues pruned to eliminate duplicates Z: 17 6.000 1.628 0.528 0.390 0.812 0.375 CB 0.834 17 residues pruned to eliminate duplicates Z: 11 6.352 1.647 0.554 0.317 0.900 0.400 CB 1.066 11 residues pruned to eliminate duplicates Z: 10 5.504 1.659 0.516 0.281 0.889 0.444 CB 1.050 10 residues pruned to eliminate duplicates Z: 12 6.062 1.702 0.502 0.376 0.818 0.455 CB 0.998 12 residues pruned to eliminate duplicates Z: 10 2.985 1.715 0.178 0.268 0.667 0.333 CB 0.961 10 residues pruned to eliminate duplicates Z: 17 22.620 1.975 0.861 0.861 0.938 0.625 CB 1.206 17 residues pruned to eliminate duplicates Z: 6 11.037 2.062 0.351 0.829 1.000 0.600 N 1.334 6 residues pruned to eliminate duplicates Z: 21 9.050 1.741 0.436 0.415 0.900 0.400 CB 0.983 21 residues pruned to eliminate duplicates Z: 11 6.247 1.936 0.321 0.565 0.800 0.600 CB 0.907 11 residues pruned to eliminate duplicates Z: 8 12.974 2.056 0.559 0.887 1.000 1.000 CB 1.103 8 residues pruned to eliminate duplicates Z: 10 8.972 1.958 0.300 0.746 0.889 0.889 CB 1.061 10 residues pruned to eliminate duplicates Z: 29 12.826 1.813 0.453 0.570 0.857 0.607 CB 1.004 29 residues pruned to eliminate duplicates Z: 6 7.010 2.003 0.178 0.871 1.000 1.000 CB 0.969 6 residues pruned to eliminate duplicates Z: 20 11.078 1.873 0.273 0.708 0.842 0.579 CB 1.048 20 residues pruned to eliminate duplicates Z: 20 13.720 1.856 0.370 0.713 0.895 0.684 CB 1.140 20 residues pruned to eliminate duplicates Z: 8 15.977 1.888 0.800 0.746 1.000 0.857 CB 1.426 8 residues pruned to eliminate duplicates Z: 7 16.389 1.848 0.911 0.859 1.000 0.833 CB 1.394 7 residues pruned to eliminate duplicates Z: 18 15.343 1.908 0.380 0.765 1.000 0.824 CB 1.117 18 residues pruned to eliminate duplicates Z: 7 13.778 1.881 0.574 0.830 1.000 1.000 CB 1.428 7 residues pruned to eliminate duplicates Z: 20 14.439 1.846 0.417 0.744 0.947 0.684 CB 1.074 20 residues pruned to eliminate duplicates Z: 24 13.806 1.833 0.506 0.551 0.783 0.522 CB 1.268 24 residues pruned to eliminate duplicates Z: 15 9.568 1.789 0.277 0.497 0.857 0.500 CB 1.309 15 residues pruned to eliminate duplicates Z: 24 15.338 1.864 0.415 0.657 0.957 0.565 CB 1.095 24 residues pruned to eliminate duplicates Z: 16 8.495 1.747 0.606 0.457 0.733 0.600 CB 1.114 16 residues pruned to eliminate duplicates Z: 19 11.763 1.869 0.300 0.634 0.833 0.444 CB 1.208 19 residues pruned to eliminate duplicates Z: 14 8.408 1.763 0.444 0.454 0.769 0.538 CB 1.248 14 residues pruned to eliminate duplicates Z: 17 8.845 1.775 0.643 0.437 0.750 0.312 CB 1.079 17 residues pruned to eliminate duplicates Z: 33 16.509 1.831 0.490 0.653 0.812 0.688 CB 1.142 33 residues pruned to eliminate duplicates Z: 50 18.558 1.778 0.584 0.509 0.796 0.408 CB 1.172 50 residues pruned to eliminate duplicates Z: 19 10.611 1.672 0.658 0.465 0.778 0.444 N 1.202 11 residues pruned to eliminate duplicates Z: 11 13.837 1.836 0.664 0.757 1.000 0.700 CB 1.139 13 residues pruned to eliminate duplicates Z: 12 13.573 1.750 0.727 0.803 1.000 1.000 CB 1.039 17 residues pruned to eliminate duplicates Z: 9 9.607 1.844 0.917 0.711 0.875 0.625 CB 0.907 9 residues pruned to eliminate duplicates Z: 13 16.664 1.769 0.589 0.809 1.000 0.583 CB 1.307 13 residues pruned to eliminate duplicates Z: 12 17.143 1.872 0.594 0.755 1.000 0.727 CB 1.381 11 residues pruned to eliminate duplicates Z: 14 12.440 1.779 0.618 0.659 0.923 0.462 CB 1.120 14 residues pruned to eliminate duplicates Z: 19 13.505 1.774 0.777 0.509 0.889 0.389 CB 1.126 15 residues pruned to eliminate duplicates Z: 16 18.451 1.763 0.535 0.794 1.000 0.867 CB 1.361 16 residues pruned to eliminate duplicates Z: 14 16.216 1.925 0.424 0.584 1.000 0.692 CB 1.514 14 residues pruned to eliminate duplicates Z: 14 12.921 1.949 0.299 0.635 0.846 0.615 CB 1.474 14 residues pruned to eliminate duplicates Z: 19 14.516 1.875 0.592 0.436 0.944 0.556 CB 1.297 19 residues pruned to eliminate duplicates Z: 17 11.772 1.761 0.501 0.428 0.875 0.562 CB 1.372 17 residues pruned to eliminate duplicates Z: 14 12.531 1.918 0.368 0.622 0.846 0.538 CB 1.396 14 residues pruned to eliminate duplicates Z: 18 13.448 1.784 0.536 0.486 0.882 0.706 CB 1.368 18 residues pruned to eliminate duplicates Z: 15 13.467 1.917 0.396 0.595 1.000 0.571 CB 1.228 15 residues pruned to eliminate duplicates Z: 16 13.206 1.881 0.409 0.504 0.867 0.600 CB 1.479 16 residues pruned to eliminate duplicates Z: 15 14.705 1.715 0.671 0.516 0.929 0.571 CB 1.453 15 residues pruned to eliminate duplicates Z: 15 11.180 1.868 0.477 0.538 0.786 0.571 CB 1.328 15 residues pruned to eliminate duplicates 352 residues left after pruning, divided into chains as follows: A: 50 B: 124 C: 55 D: 89 E: 34 CC for partial structure against native data = 38.95 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.513, Connect. = 0.693 for dens.mod. cycle 1 = 0.302, Contrast = 0.589, Connect. = 0.720 for dens.mod. cycle 2 = 0.302, Contrast = 0.719, Connect. = 0.754 for dens.mod. cycle 3 = 0.302, Contrast = 0.732, Connect. = 0.755 for dens.mod. cycle 4 = 0.302, Contrast = 0.749, Connect. = 0.756 for dens.mod. cycle 5 = 0.302, Contrast = 0.751, Connect. = 0.758 for dens.mod. cycle 6 = 0.302, Contrast = 0.757, Connect. = 0.758 for dens.mod. cycle 7 = 0.302, Contrast = 0.758, Connect. = 0.760 for dens.mod. cycle 8 = 0.302, Contrast = 0.760, Connect. = 0.760 for dens.mod. cycle 9 TimeTaking 76.13