++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 19:28:06 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: ./2ffj-2.5-parrot-mrncs/2ffj-2.5-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2ffj-2.5-parrot-mrncs/2ffj-2.5-parrot-mrncs.ins Phases from ./2ffj-2.5-parrot-mrncs/2ffj-2.5-parrot-mrncs.phi Native data from ./2ffj-2.5-parrot-mrncs/2ffj-2.5-parrot-mrncs.hkl Listing output to ./2ffj-2.5-parrot-mrncs/2ffj-2.5-parrot-mrncs.lst Phases output to ./2ffj-2.5-parrot-mrncs/2ffj-2.5-parrot-mrncs.phs Poly-Ala trace output to ./2ffj-2.5-parrot-mrncs/2ffj-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: P 21 21 21 Allowed origin shift code: 4 25302 Reflections read from file ./2ffj-2.5-parrot-mrncs/2ffj-2.5-parrot-mrncs.phi 25302 Reflections read from file ./2ffj-2.5-parrot-mrncs/2ffj-2.5-parrot-mrncs.hkl 25302 Unique data, highest resolution = 2.450 Angstroms Anisotropic scaling: intensities multiplied by 0.000487h^2 -0.000387k^2 +0.000067l^2 +0.000000kl +0.000000hl +0.000000hk 98 Reflections with d > 2.650 and 0 in range 2.650 > d > 2.450 added Density sharpening factor set to 0.07 Fourier grid = 128 x 128 x 38 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|> = 0.715 = 0.300, Contrast = 0.531, Connect. = 0.750 for dens.mod. cycle 1 = 0.300, Contrast = 0.501, Connect. = 0.711 for dens.mod. cycle 2 = 0.300, Contrast = 0.595, Connect. = 0.743 for dens.mod. cycle 3 = 0.300, Contrast = 0.632, Connect. = 0.755 for dens.mod. cycle 4 = 0.300, Contrast = 0.654, Connect. = 0.762 for dens.mod. cycle 5 = 0.300, Contrast = 0.666, Connect. = 0.766 for dens.mod. cycle 6 = 0.300, Contrast = 0.674, Connect. = 0.769 for dens.mod. cycle 7 = 0.300, Contrast = 0.678, Connect. = 0.771 for dens.mod. cycle 8 = 0.300, Contrast = 0.682, Connect. = 0.773 for dens.mod. cycle 9 = 0.300, Contrast = 0.683, Connect. = 0.774 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1698 peaks > 0.5 sigma used to seed fragment search Space for about 738 unique residues taking solvent into account 482 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 29.614 1.790 1.034 0.880 1.000 0.812 CB 1.474 B: 10 8.148 1.738 0.604 0.883 1.000 0.778 CB 0.704 C: 18 26.518 1.773 0.822 0.908 0.941 0.882 CB 1.503 17 residues pruned to eliminate duplicates D: 17 29.771 1.837 1.009 0.926 1.000 0.938 CB 1.414 E: 17 33.985 1.873 0.990 0.937 1.000 0.938 CB 1.586 F: 28 27.262 1.863 0.817 0.834 0.963 0.741 CB 1.206 G: 10 6.001 1.656 0.460 0.863 1.000 0.778 CB 0.607 10 residues pruned to eliminate duplicates H: 25 11.207 1.746 0.789 0.393 0.750 0.583 CB 1.094 I: 16 28.614 1.850 0.977 0.918 1.000 0.800 CB 1.425 16 residues pruned to eliminate duplicates J: 16 15.582 1.693 0.625 0.818 0.867 0.533 O 1.280 K: 14 30.496 1.878 1.233 0.917 1.000 0.769 CB 1.423 L: 10 15.951 1.861 1.182 0.790 1.000 0.667 CB 1.015 M: 19 29.253 1.820 0.802 0.943 1.000 0.833 CB 1.456 17 residues pruned to eliminate duplicates N: 16 34.103 1.891 1.044 0.934 1.000 0.867 CB 1.589 17 residues pruned to eliminate duplicates O: 17 19.087 1.793 0.680 0.839 1.000 0.625 CB 1.184 10 residues pruned to eliminate duplicates P: 14 29.872 1.913 1.182 0.933 1.000 0.846 CB 1.385 14 residues pruned to eliminate duplicates Q: 17 32.116 1.721 1.221 0.932 1.000 0.750 CA 1.467 14 residues pruned to eliminate duplicates R: 15 29.776 1.865 0.995 0.930 1.000 0.786 CB 1.496 15 residues pruned to eliminate duplicates S: 17 23.470 1.776 0.840 0.892 0.875 0.688 CB 1.474 17 residues pruned to eliminate duplicates T: 12 19.810 1.778 0.784 0.907 1.000 0.545 CB 1.338 U: 19 25.942 1.794 0.676 0.910 1.000 0.944 CB 1.442 19 residues pruned to eliminate duplicates V: 17 25.366 1.691 1.063 0.853 0.938 0.688 CB 1.433 17 residues pruned to eliminate duplicates W: 25 31.546 1.944 0.814 0.896 1.000 0.875 CB 1.308 26 residues pruned to eliminate duplicates X: 25 21.833 1.843 0.521 0.863 0.917 0.750 CB 1.272 Y: 22 16.516 1.850 0.694 0.620 0.762 0.619 CB 1.348 Z: 27 30.466 1.875 0.853 0.862 1.000 0.692 CB 1.263 27 residues pruned to eliminate duplicates Z: 16 17.096 1.756 0.779 0.814 0.867 0.533 CB 1.242 16 residues pruned to eliminate duplicates Z: 18 24.914 1.790 0.821 0.899 1.000 0.882 CB 1.325 18 residues pruned to eliminate duplicates Z: 27 28.355 1.942 0.848 0.825 0.923 0.615 CB 1.267 27 residues pruned to eliminate duplicates Z: 20 13.058 1.676 1.004 0.535 0.842 0.421 CB 1.024 11 residues pruned to eliminate duplicates Z: 15 23.833 1.873 0.947 0.947 1.000 0.929 CB 1.207 17 residues pruned to eliminate duplicates Z: 14 29.615 1.909 1.006 0.931 1.000 0.846 CB 1.499 15 residues pruned to eliminate duplicates Z: 20 22.663 1.927 0.637 0.833 0.947 0.737 CB 1.305 20 residues pruned to eliminate duplicates Z: 15 10.202 1.734 0.789 0.399 0.857 0.429 CB 1.141 Z: 16 13.683 2.020 0.812 0.490 0.800 0.600 CB 1.218 11 residues pruned to eliminate duplicates Z: 15 29.483 1.867 1.106 0.923 1.000 0.643 CB 1.408 15 residues pruned to eliminate duplicates Z: 9 19.730 1.963 0.965 0.889 1.000 0.375 CB 1.302 9 residues pruned to eliminate duplicates Z: 18 7.543 1.716 0.510 0.290 0.765 0.412 CB 1.168 18 residues pruned to eliminate duplicates Z: 21 14.490 1.762 0.937 0.546 0.850 0.450 CB 1.068 20 residues pruned to eliminate duplicates Z: 28 34.099 1.915 0.933 0.848 1.000 0.741 CB 1.316 27 residues pruned to eliminate duplicates Z: 13 15.485 1.587 0.819 0.831 0.917 0.667 N 1.269 13 residues pruned to eliminate duplicates Z: 8 14.659 1.844 0.539 0.917 1.000 1.000 CB 1.377 Z: 16 23.869 1.751 0.880 0.877 1.000 0.733 CB 1.360 16 residues pruned to eliminate duplicates Z: 17 26.676 1.845 0.875 0.901 1.000 0.688 CB 1.376 17 residues pruned to eliminate duplicates Z: 26 24.525 1.770 0.558 0.898 1.000 0.760 CB 1.272 26 residues pruned to eliminate duplicates Z: 9 5.224 1.654 0.409 0.616 0.750 0.500 CB 0.947 Z: 21 10.460 1.662 0.705 0.467 0.750 0.400 CB 1.138 21 residues pruned to eliminate duplicates Z: 14 16.896 1.705 0.655 0.915 0.923 0.923 O 1.272 Z: 11 19.535 1.880 1.110 0.895 0.900 0.500 CB 1.240 Z: 16 19.778 1.719 0.950 0.908 0.933 0.733 CB 1.159 11 residues pruned to eliminate duplicates Z: 25 18.649 1.736 0.820 0.605 0.833 0.708 CB 1.308 47 residues pruned to eliminate duplicates Z: 15 13.568 1.729 0.374 0.865 0.929 0.786 O 1.204 15 residues pruned to eliminate duplicates Z: 8 18.922 1.846 0.912 0.781 1.000 0.714 CA 1.582 Z: 10 12.259 1.749 0.393 0.703 1.000 0.667 CB 1.394 9 residues pruned to eliminate duplicates Z: 27 26.281 1.847 0.522 0.840 1.000 0.731 CB 1.368 26 residues pruned to eliminate duplicates Z: 27 28.826 1.920 0.691 0.863 0.962 0.808 CB 1.329 27 residues pruned to eliminate duplicates Z: 6 3.743 1.514 0.904 0.336 0.800 0.400 N 0.868 Z: 8 8.332 1.630 0.514 0.800 0.857 0.571 CB 1.145 Z: 14 16.581 1.625 0.513 0.872 1.000 0.923 CB 1.363 14 residues pruned to eliminate duplicates Z: 18 25.755 1.822 0.657 0.931 1.000 0.941 CB 1.446 18 residues pruned to eliminate duplicates Z: 8 11.122 1.899 0.813 0.653 1.000 0.857 CB 1.059 8 residues pruned to eliminate duplicates Z: 26 25.408 1.918 0.835 0.842 0.920 0.640 CB 1.169 26 residues pruned to eliminate duplicates Z: 9 9.878 1.590 0.652 0.842 1.000 0.750 CB 0.990 Z: 10 10.334 1.735 0.421 0.903 0.889 0.667 CB 1.120 10 residues pruned to eliminate duplicates Z: 12 19.108 1.835 0.856 0.872 1.000 0.818 CB 1.233 Z: 20 25.046 1.916 0.580 0.867 0.947 0.789 CB 1.467 20 residues pruned to eliminate duplicates Z: 17 25.838 1.993 0.722 0.860 1.000 0.438 CB 1.384 17 residues pruned to eliminate duplicates Z: 10 14.519 1.773 1.004 0.582 1.000 0.778 CB 1.258 10 residues pruned to eliminate duplicates Z: 36 20.819 1.819 0.878 0.519 0.829 0.514 CB 1.220 43 residues pruned to eliminate duplicates Z: 16 24.989 1.848 0.877 0.869 0.933 0.733 CB 1.456 16 residues pruned to eliminate duplicates Z: 14 20.337 1.876 0.985 0.916 0.846 0.692 CB 1.265 14 residues pruned to eliminate duplicates Z: 25 23.220 1.820 0.767 0.858 0.917 0.500 CB 1.184 25 residues pruned to eliminate duplicates Z: 18 10.446 1.743 0.463 0.452 0.824 0.412 CB 1.267 18 residues pruned to eliminate duplicates Z: 13 18.100 1.681 0.601 0.880 1.000 0.917 CB 1.407 13 residues pruned to eliminate duplicates Z: 9 7.428 1.810 0.610 0.313 0.875 0.500 CB 1.266 Z: 26 28.002 1.886 0.699 0.853 0.960 0.680 CB 1.346 26 residues pruned to eliminate duplicates Z: 12 20.253 1.771 1.316 0.915 0.909 0.727 CB 1.157 12 residues pruned to eliminate duplicates Z: 10 13.855 1.747 0.465 0.868 1.000 0.667 CB 1.319 9 residues pruned to eliminate duplicates Z: 15 20.387 1.762 0.834 0.895 0.929 0.786 CB 1.301 15 residues pruned to eliminate duplicates Z: 28 31.343 1.921 0.728 0.856 0.963 0.741 CB 1.393 27 residues pruned to eliminate duplicates Z: 20 10.151 1.674 0.267 0.560 0.895 0.579 CB 1.158 8 residues pruned to eliminate duplicates Z: 9 14.058 1.708 0.955 0.755 0.875 0.625 CB 1.355 10 residues pruned to eliminate duplicates Z: 15 17.413 1.801 0.807 0.857 0.857 0.571 CB 1.230 15 residues pruned to eliminate duplicates Z: 30 15.418 1.683 0.640 0.510 0.862 0.586 CB 1.192 Z: 14 16.349 1.779 0.440 0.902 1.000 0.923 CB 1.262 14 residues pruned to eliminate duplicates Z: 18 26.303 1.738 0.720 0.931 1.000 0.941 CB 1.491 18 residues pruned to eliminate duplicates Z: 11 9.634 1.788 0.707 0.381 0.900 0.300 CB 1.259 11 residues pruned to eliminate duplicates Z: 13 16.952 1.627 0.925 0.862 0.917 0.667 CB 1.251 13 residues pruned to eliminate duplicates Z: 27 30.934 1.925 0.996 0.843 0.923 0.692 CB 1.273 27 residues pruned to eliminate duplicates Z: 17 19.368 1.787 0.724 0.802 0.875 0.688 CB 1.380 17 residues pruned to eliminate duplicates Z: 27 27.437 1.728 0.746 0.865 1.000 0.846 CB 1.307 27 residues pruned to eliminate duplicates Z: 10 12.622 1.730 0.735 0.843 0.778 0.667 CB 1.342 Z: 23 16.730 1.792 0.931 0.622 0.682 0.409 CB 1.348 17 residues pruned to eliminate duplicates Z: 16 22.264 1.706 0.982 0.903 1.000 0.733 CB 1.211 16 residues pruned to eliminate duplicates Z: 17 16.506 1.792 0.515 0.863 0.938 0.750 CB 1.189 17 residues pruned to eliminate duplicates Z: 18 25.161 1.842 0.571 0.901 1.000 0.824 CB 1.505 18 residues pruned to eliminate duplicates Z: 16 21.783 1.780 0.851 0.826 1.000 0.800 CB 1.288 12 residues pruned to eliminate duplicates Z: 17 29.116 1.825 0.789 0.937 1.000 0.875 CB 1.551 17 residues pruned to eliminate duplicates Z: 14 16.244 1.807 0.578 0.908 1.000 1.000 CB 1.123 19 residues pruned to eliminate duplicates Z: 28 29.755 1.906 0.639 0.851 1.000 0.704 CB 1.356 28 residues pruned to eliminate duplicates Z: 25 23.369 1.837 0.446 0.863 1.000 0.833 CB 1.317 25 residues pruned to eliminate duplicates Z: 14 32.286 1.944 1.079 0.921 1.000 0.692 CB 1.559 14 residues pruned to eliminate duplicates Z: 16 15.274 1.765 0.586 0.832 0.867 0.800 CB 1.220 16 residues pruned to eliminate duplicates Z: 17 24.484 1.776 0.745 0.842 0.938 0.750 O 1.570 17 residues pruned to eliminate duplicates Z: 17 21.739 1.750 0.724 0.900 1.000 0.875 CB 1.287 17 residues pruned to eliminate duplicates Z: 7 7.142 1.717 0.643 0.504 0.833 0.333 N 1.235 Z: 24 23.157 1.802 0.662 0.810 0.957 0.609 CB 1.287 24 residues pruned to eliminate duplicates Z: 15 19.106 1.814 0.954 0.900 0.929 0.429 CB 1.108 15 residues pruned to eliminate duplicates Z: 6 5.019 1.646 0.233 0.581 0.800 0.800 N 1.279 Z: 16 14.608 1.744 0.483 0.848 0.933 0.733 CB 1.159 16 residues pruned to eliminate duplicates Z: 16 27.330 1.862 0.879 0.918 1.000 0.667 CB 1.422 16 residues pruned to eliminate duplicates Z: 7 8.705 1.742 0.445 0.833 1.000 0.833 CB 1.059 7 residues pruned to eliminate duplicates Z: 16 17.609 1.758 0.703 0.895 0.933 0.667 CB 1.166 16 residues pruned to eliminate duplicates Z: 14 23.172 1.873 0.932 0.873 1.000 0.615 CB 1.293 14 residues pruned to eliminate duplicates Z: 7 5.432 1.624 0.512 0.861 1.000 0.667 CB 0.664 Z: 9 4.661 1.738 0.456 0.510 0.750 0.625 CB 0.860 Z: 17 14.932 1.550 0.777 0.822 0.875 0.812 CB 1.172 17 residues pruned to eliminate duplicates Z: 10 14.201 1.837 0.843 0.687 0.889 0.444 CB 1.324 Z: 11 8.801 1.568 0.554 0.847 1.000 0.600 CB 0.848 10 residues pruned to eliminate duplicates Z: 7 3.965 1.599 0.207 0.850 1.000 0.500 CB 0.621 14 residues pruned to eliminate duplicates Z: 16 23.509 1.835 0.860 0.889 1.000 0.867 CB 1.281 16 residues pruned to eliminate duplicates Z: 7 7.544 1.581 0.617 0.863 1.000 0.833 CB 0.884 Z: 7 4.201 1.412 0.658 0.642 1.000 0.500 CB 0.641 Z: 17 24.352 1.842 0.734 0.923 1.000 0.938 CB 1.339 17 residues pruned to eliminate duplicates Z: 9 9.825 1.480 1.005 0.726 1.000 0.750 CB 0.955 Z: 9 13.552 1.719 0.720 0.904 1.000 0.875 CB 1.155 9 residues pruned to eliminate duplicates Z: 9 14.104 1.712 0.563 0.921 1.000 0.875 CB 1.312 9 residues pruned to eliminate duplicates Z: 15 18.525 1.776 0.615 0.892 0.929 0.500 CB 1.336 13 residues pruned to eliminate duplicates Z: 15 27.815 1.875 0.913 0.908 1.000 0.643 CB 1.471 15 residues pruned to eliminate duplicates Z: 24 21.075 1.905 0.921 0.512 0.913 0.478 CB 1.299 28 residues pruned to eliminate duplicates Z: 13 22.279 1.698 0.917 0.909 1.000 0.917 CB 1.402 12 residues pruned to eliminate duplicates Z: 12 14.883 1.720 0.941 0.883 1.000 0.818 CB 0.972 12 residues pruned to eliminate duplicates Z: 9 4.040 1.585 0.279 0.470 0.750 0.500 CB 0.969 9 residues pruned to eliminate duplicates Z: 11 10.547 1.749 0.650 0.850 0.900 0.800 CB 0.951 12 residues pruned to eliminate duplicates Z: 17 19.660 1.956 0.563 0.840 0.938 0.562 CB 1.280 17 residues pruned to eliminate duplicates Z: 16 19.237 1.773 0.410 0.911 1.000 0.800 CB 1.408 16 residues pruned to eliminate duplicates Z: 24 21.891 1.778 0.772 0.700 0.870 0.696 CB 1.388 24 residues pruned to eliminate duplicates Z: 8 3.294 1.444 0.454 0.344 0.857 0.429 CB 0.820 Z: 8 11.607 1.665 0.852 0.825 1.000 1.000 CB 1.074 8 residues pruned to eliminate duplicates Z: 6 5.746 1.481 0.781 0.491 0.800 0.600 O 1.228 Z: 6 5.337 1.655 0.447 0.633 1.000 0.600 CB 0.880 6 residues pruned to eliminate duplicates Z: 7 7.704 1.662 0.412 0.788 1.000 0.667 CB 1.041 8 residues pruned to eliminate duplicates Z: 15 17.867 1.745 0.849 0.880 0.857 0.714 CB 1.251 14 residues pruned to eliminate duplicates Z: 8 11.593 1.727 0.842 0.647 1.000 0.714 CB 1.201 7 residues pruned to eliminate duplicates Z: 12 24.585 1.822 0.913 0.901 1.000 0.636 CB 1.518 13 residues pruned to eliminate duplicates Z: 14 18.848 1.818 0.618 0.888 0.923 0.692 CB 1.387 14 residues pruned to eliminate duplicates Z: 9 16.198 1.782 0.848 0.826 1.000 0.875 CB 1.312 9 residues pruned to eliminate duplicates Z: 7 8.231 1.675 0.788 0.883 1.000 0.667 CB 0.811 6 residues pruned to eliminate duplicates Z: 12 10.371 1.585 0.743 0.798 0.909 0.727 CB 0.959 12 residues pruned to eliminate duplicates Z: 18 19.259 1.686 0.833 0.877 0.882 0.529 CB 1.244 17 residues pruned to eliminate duplicates Z: 9 9.147 1.754 0.190 0.840 0.875 0.875 O 1.321 9 residues pruned to eliminate duplicates Z: 19 25.963 1.785 0.711 0.932 1.000 0.944 CB 1.399 19 residues pruned to eliminate duplicates Z: 11 13.646 1.726 0.736 0.918 1.000 0.900 CB 1.016 11 residues pruned to eliminate duplicates Z: 18 12.276 1.888 0.338 0.650 0.882 0.647 CB 1.161 18 residues pruned to eliminate duplicates Z: 15 17.214 1.772 0.658 0.850 1.000 0.714 CB 1.160 15 residues pruned to eliminate duplicates Z: 11 15.560 1.717 0.668 0.808 0.900 0.700 O 1.459 10 residues pruned to eliminate duplicates Z: 6 2.775 1.575 0.741 0.855 0.800 0.800 CB 0.418 Z: 13 17.165 1.786 0.934 0.862 0.917 0.750 CB 1.149 13 residues pruned to eliminate duplicates Z: 17 21.502 1.769 0.862 0.898 1.000 0.750 CB 1.167 17 residues pruned to eliminate duplicates Z: 6 4.529 1.316 0.184 0.825 1.000 1.000 N 0.981 6 residues pruned to eliminate duplicates Z: 12 17.334 1.527 1.123 0.854 1.000 0.636 CB 1.190 10 residues pruned to eliminate duplicates Z: 7 6.012 1.795 0.560 0.576 1.000 0.667 CB 0.814 9 residues pruned to eliminate duplicates Z: 18 16.851 1.712 0.772 0.831 0.941 0.353 CB 1.075 18 residues pruned to eliminate duplicates Z: 22 9.574 1.687 0.384 0.484 0.762 0.571 CB 1.193 22 residues pruned to eliminate duplicates Z: 25 19.445 1.889 0.872 0.514 0.833 0.625 CB 1.329 24 residues pruned to eliminate duplicates Z: 6 3.824 1.505 0.926 0.414 0.600 0.600 O 1.076 Z: 8 6.600 1.704 0.726 0.426 0.714 0.429 CB 1.283 Z: 18 19.112 1.737 0.697 0.850 0.882 0.706 CB 1.320 18 residues pruned to eliminate duplicates Z: 18 17.022 1.716 0.577 0.870 0.882 0.882 CB 1.262 19 residues pruned to eliminate duplicates Z: 36 28.223 1.744 1.062 0.704 0.971 0.629 CB 1.135 34 residues pruned to eliminate duplicates Z: 16 7.161 1.489 0.736 0.413 0.800 0.467 CB 0.979 15 residues pruned to eliminate duplicates Z: 10 14.778 1.730 0.486 0.855 1.000 0.667 O 1.415 10 residues pruned to eliminate duplicates Z: 18 5.900 1.424 0.434 0.443 0.765 0.471 CB 0.972 Z: 27 26.472 1.860 0.725 0.892 1.000 0.846 CB 1.162 27 residues pruned to eliminate duplicates Z: 7 9.603 1.664 0.540 0.748 1.000 0.667 CB 1.225 Z: 6 2.377 1.491 0.186 0.326 0.800 0.400 CB 0.910 Z: 8 8.780 1.552 0.929 0.614 0.857 0.571 CA 1.161 Z: 27 18.571 1.877 0.809 0.783 0.769 0.385 CB 1.087 27 residues pruned to eliminate duplicates Z: 13 8.403 1.553 0.510 0.505 0.917 0.500 CB 1.123 13 residues pruned to eliminate duplicates Z: 14 28.017 1.852 1.115 0.904 1.000 0.615 CB 1.413 14 residues pruned to eliminate duplicates Z: 20 23.255 1.719 0.768 0.880 1.000 0.789 CB 1.272 20 residues pruned to eliminate duplicates Z: 8 3.584 1.331 0.531 0.741 0.857 0.429 CB 0.625 Z: 6 4.854 1.673 0.397 0.728 0.600 0.600 CB 1.260 6 residues pruned to eliminate duplicates Z: 11 13.279 1.679 0.789 0.841 0.900 0.600 CB 1.158 11 residues pruned to eliminate duplicates Z: 15 21.754 1.840 0.827 0.899 1.000 0.929 CB 1.236 15 residues pruned to eliminate duplicates Z: 7 3.058 1.297 0.968 0.261 0.833 0.500 CB 0.771 Z: 12 5.104 1.569 0.315 0.444 0.727 0.455 CB 1.086 13 residues pruned to eliminate duplicates Z: 10 14.135 1.603 1.296 0.651 1.000 0.556 CB 1.112 9 residues pruned to eliminate duplicates Z: 10 11.661 1.649 0.430 0.873 1.000 0.667 CB 1.201 13 residues pruned to eliminate duplicates Z: 11 14.841 1.684 0.659 0.824 1.000 0.700 CB 1.269 11 residues pruned to eliminate duplicates Z: 16 8.734 1.639 0.589 0.350 0.867 0.667 CB 1.175 16 residues pruned to eliminate duplicates Z: 13 19.865 1.682 0.866 0.901 1.000 0.750 CB 1.304 13 residues pruned to eliminate duplicates Z: 18 22.096 1.764 0.692 0.874 1.000 0.765 CB 1.307 18 residues pruned to eliminate duplicates Z: 7 5.608 1.555 0.676 0.443 0.833 0.500 CB 1.118 7 residues pruned to eliminate duplicates Z: 17 15.102 1.713 0.318 0.876 1.000 0.625 CB 1.216 17 residues pruned to eliminate duplicates Z: 16 25.587 1.841 0.739 0.895 0.933 0.800 CB 1.584 16 residues pruned to eliminate duplicates Z: 49 25.257 1.744 0.920 0.561 0.875 0.583 CB 1.173 50 residues pruned to eliminate duplicates Z: 9 5.901 1.343 0.800 0.580 0.750 0.500 O 1.065 9 residues pruned to eliminate duplicates Z: 13 8.372 1.674 0.412 0.606 0.917 0.667 CB 1.008 13 residues pruned to eliminate duplicates Z: 11 13.425 1.718 0.556 0.832 0.900 0.700 CB 1.325 11 residues pruned to eliminate duplicates Z: 16 13.868 1.505 0.717 0.852 1.000 0.733 CB 1.024 15 residues pruned to eliminate duplicates Z: 7 6.309 1.630 0.513 0.776 0.833 0.667 CB 0.982 7 residues pruned to eliminate duplicates Z: 11 11.885 1.553 0.783 0.774 0.900 0.400 N 1.183 9 residues pruned to eliminate duplicates Z: 10 4.348 1.756 0.341 0.694 0.889 0.556 CB 0.580 Z: 16 16.762 1.731 0.827 0.630 0.933 0.600 CB 1.297 16 residues pruned to eliminate duplicates Z: 16 26.273 1.722 1.007 0.924 1.000 1.000 CB 1.378 16 residues pruned to eliminate duplicates Z: 10 12.234 1.501 1.040 0.856 0.889 0.778 N 1.105 10 residues pruned to eliminate duplicates Z: 24 14.781 1.828 0.674 0.489 0.739 0.522 CB 1.377 24 residues pruned to eliminate duplicates Z: 8 8.028 1.452 0.779 0.789 1.000 0.714 CB 0.911 8 residues pruned to eliminate duplicates Z: 18 22.394 1.868 0.801 0.874 0.882 0.588 CB 1.332 18 residues pruned to eliminate duplicates Z: 17 26.844 1.962 1.079 0.790 0.938 0.688 CB 1.360 17 residues pruned to eliminate duplicates Z: 19 17.263 1.653 0.765 0.860 1.000 0.556 CB 1.025 19 residues pruned to eliminate duplicates Z: 8 12.363 1.567 0.899 0.745 1.000 0.714 CB 1.261 Z: 20 20.797 1.706 0.526 0.930 1.000 1.000 CB 1.282 20 residues pruned to eliminate duplicates Z: 18 27.937 1.855 0.940 0.910 0.941 0.647 CB 1.418 18 residues pruned to eliminate duplicates Z: 15 8.464 1.633 0.675 0.552 0.929 0.643 CB 0.847 15 residues pruned to eliminate duplicates Z: 8 9.296 1.750 0.595 0.861 0.857 0.571 CB 1.079 7 residues pruned to eliminate duplicates Z: 7 8.209 1.760 0.585 0.758 1.000 0.833 CB 0.955 7 residues pruned to eliminate duplicates Z: 13 19.728 1.710 0.859 0.917 1.000 0.250 CB 1.264 13 residues pruned to eliminate duplicates Z: 6 6.471 1.460 0.395 0.697 1.000 0.800 CB 1.187 Z: 17 26.104 1.902 1.234 0.814 0.938 0.812 CB 1.246 17 residues pruned to eliminate duplicates Z: 9 6.484 1.656 0.523 0.513 0.750 0.500 N 1.197 9 residues pruned to eliminate duplicates Z: 12 16.142 1.750 0.936 0.790 0.909 0.545 CB 1.225 12 residues pruned to eliminate duplicates Z: 17 18.590 1.776 0.658 0.883 0.938 0.562 CB 1.218 17 residues pruned to eliminate duplicates Z: 15 19.692 2.001 0.485 0.940 1.000 0.857 CB 1.231 15 residues pruned to eliminate duplicates Z: 10 4.412 1.488 0.413 0.471 0.778 0.444 CB 0.927 Z: 6 3.393 1.458 0.822 0.455 0.800 0.600 CB 0.748 Z: 6 8.391 1.907 0.561 0.809 0.800 0.800 CB 1.204 6 residues pruned to eliminate duplicates Z: 20 15.669 1.659 0.370 0.848 0.947 0.684 CB 1.239 20 residues pruned to eliminate duplicates Z: 23 18.263 1.825 0.728 0.794 0.864 0.545 CB 1.104 23 residues pruned to eliminate duplicates Z: 8 2.475 1.417 0.145 0.517 0.714 0.429 CB 0.794 Z: 6 3.599 1.623 0.801 0.307 0.800 0.400 N 0.853 Z: 27 33.979 1.972 0.861 0.843 0.962 0.692 CB 1.406 27 residues pruned to eliminate duplicates Z: 10 12.303 1.764 0.731 0.855 0.889 0.778 CB 1.115 10 residues pruned to eliminate duplicates Z: 35 17.129 1.773 0.696 0.438 0.882 0.559 CB 1.181 35 residues pruned to eliminate duplicates Z: 6 2.215 1.549 0.686 0.490 0.800 0.400 CB 0.479 Z: 10 15.483 1.713 0.479 0.893 1.000 0.778 CB 1.462 13 residues pruned to eliminate duplicates Z: 26 17.738 1.797 0.822 0.801 0.800 0.560 CB 1.041 26 residues pruned to eliminate duplicates Z: 15 20.778 1.777 0.845 0.920 1.000 0.714 CB 1.192 16 residues pruned to eliminate duplicates Z: 7 8.018 1.700 0.327 0.495 1.000 0.500 N 1.459 Z: 19 11.493 1.608 0.800 0.624 0.778 0.611 CB 1.070 11 residues pruned to eliminate duplicates Z: 19 18.420 1.703 0.626 0.872 0.944 0.556 CB 1.210 19 residues pruned to eliminate duplicates Z: 17 35.697 1.830 1.167 0.936 1.000 0.812 CB 1.567 17 residues pruned to eliminate duplicates Z: 9 11.974 1.671 0.542 0.868 1.000 0.875 CB 1.201 9 residues pruned to eliminate duplicates Z: 13 3.578 1.616 0.610 0.193 0.750 0.250 CB 0.764 Z: 6 2.484 1.506 0.561 0.491 0.600 0.600 CB 0.795 Z: 7 2.918 1.380 0.285 0.391 0.833 0.500 N 0.904 Z: 14 13.726 1.559 0.580 0.842 1.000 0.692 CB 1.152 14 residues pruned to eliminate duplicates Z: 7 10.643 1.977 0.241 0.889 1.000 0.833 CB 1.276 7 residues pruned to eliminate duplicates Z: 8 10.438 1.773 0.850 0.540 0.857 0.857 CB 1.349 Z: 12 2.927 1.525 0.478 0.279 0.545 0.364 CB 0.921 Z: 7 6.654 1.644 0.606 0.812 1.000 0.667 CB 0.785 Z: 19 13.565 1.700 0.570 0.607 0.944 0.722 CB 1.147 19 residues pruned to eliminate duplicates Z: 18 15.039 1.531 1.102 0.902 0.941 0.588 CB 0.859 18 residues pruned to eliminate duplicates 6 1.994 1.518 0.133 0.100 0.800 0.600 CB 1.080 ? Z: 12 5.154 1.658 0.300 0.380 0.727 0.364 CB 1.126 14 residues pruned to eliminate duplicates Z: 15 14.084 1.739 0.803 0.821 0.857 0.643 CB 1.061 15 residues pruned to eliminate duplicates Z: 6 3.174 1.471 0.934 0.349 0.800 0.600 CB 0.734 Z: 11 17.231 1.618 0.828 0.909 1.000 0.700 CB 1.307 13 residues pruned to eliminate duplicates Z: 13 10.987 1.626 0.823 0.468 0.917 0.500 N 1.206 11 residues pruned to eliminate duplicates Z: 7 2.524 1.526 0.154 0.370 0.833 0.667 CB 0.807 Z: 12 15.193 1.639 0.640 0.759 1.000 0.455 N 1.353 11 residues pruned to eliminate duplicates Z: 9 8.284 1.514 0.354 0.774 1.000 0.625 CB 1.121 11 residues pruned to eliminate duplicates Z: 16 16.059 1.696 0.769 0.535 0.933 0.533 CB 1.431 10 residues pruned to eliminate duplicates Z: 9 4.059 1.311 0.246 0.849 1.000 0.875 CB 0.651 9 residues pruned to eliminate duplicates Z: 9 5.421 1.662 0.512 0.378 0.750 0.375 CB 1.158 Z: 7 7.275 1.581 0.754 0.832 0.833 0.667 CB 0.965 7 residues pruned to eliminate duplicates Z: 7 3.494 1.431 0.598 0.390 0.667 0.500 C 1.051 Z: 6 2.534 1.550 0.409 0.478 0.600 0.400 N 0.885 Z: 12 5.214 1.582 0.725 0.351 0.818 0.636 CB 0.827 Z: 9 5.337 1.541 0.523 0.471 0.875 0.500 CB 0.946 14 residues pruned to eliminate duplicates Z: 8 3.737 1.760 0.711 0.339 0.714 0.571 CB 0.783 Z: 20 28.664 1.758 0.965 0.920 1.000 0.789 CB 1.340 20 residues pruned to eliminate duplicates Z: 8 6.718 1.582 0.715 0.463 1.000 0.571 CB 0.972 Z: 6 3.039 1.440 0.290 0.407 0.800 0.600 CB 1.008 Z: 16 8.409 1.591 0.709 0.411 0.867 0.533 CB 1.011 16 residues pruned to eliminate duplicates Z: 10 15.788 1.854 0.581 0.918 0.889 0.778 CB 1.425 10 residues pruned to eliminate duplicates Z: 9 13.331 1.718 0.616 0.861 1.000 0.875 CB 1.247 9 residues pruned to eliminate duplicates Z: 6 13.270 1.615 1.312 0.845 1.000 0.800 CB 1.181 6 residues pruned to eliminate duplicates Z: 8 2.703 1.339 0.381 0.602 0.857 0.714 CB 0.585 Z: 9 7.838 1.552 0.504 0.869 0.750 0.625 CB 1.156 9 residues pruned to eliminate duplicates Z: 11 12.725 1.574 0.717 0.865 1.000 0.700 CB 1.091 11 residues pruned to eliminate duplicates Z: 8 6.495 1.676 0.695 0.557 0.714 0.714 CA 1.144 8 residues pruned to eliminate duplicates Z: 32 14.288 1.743 0.634 0.466 0.839 0.548 CB 1.111 32 residues pruned to eliminate duplicates Z: 9 2.794 1.163 0.544 0.645 0.875 0.500 CB 0.549 9 residues pruned to eliminate duplicates Z: 9 9.290 1.708 0.358 0.897 0.875 0.750 CB 1.159 9 residues pruned to eliminate duplicates Z: 11 13.565 1.693 0.667 0.808 0.900 0.700 CB 1.290 11 residues pruned to eliminate duplicates Z: 13 9.647 1.937 0.895 0.627 0.750 0.667 CB 0.898 13 residues pruned to eliminate duplicates Z: 8 3.446 1.219 0.460 0.824 1.000 0.429 CB 0.553 Z: 8 4.173 1.702 1.192 0.345 0.714 0.714 CB 0.701 8 residues pruned to eliminate duplicates Z: 32 16.192 1.834 0.387 0.463 0.935 0.581 CB 1.270 32 residues pruned to eliminate duplicates Z: 7 3.703 1.821 0.406 0.839 1.000 0.667 CB 0.441 7 residues pruned to eliminate duplicates Z: 7 4.366 1.709 0.890 0.657 0.833 0.833 CB 0.572 7 residues pruned to eliminate duplicates Z: 6 2.717 1.447 0.775 0.302 0.800 0.200 N 0.737 6 1.623 1.315 0.271 0.441 0.800 0.400 CB 0.577 ? Z: 13 11.453 1.592 0.585 0.866 0.917 0.833 CB 1.047 13 residues pruned to eliminate duplicates Z: 21 12.078 1.648 0.525 0.540 0.950 0.700 CB 1.088 21 residues pruned to eliminate duplicates Z: 18 24.288 1.834 0.599 0.913 1.000 1.000 CB 1.422 18 residues pruned to eliminate duplicates Z: 12 14.217 1.586 0.642 0.885 1.000 0.727 CB 1.188 12 residues pruned to eliminate duplicates Z: 8 9.423 1.558 0.794 0.692 1.000 0.714 CB 1.069 8 residues pruned to eliminate duplicates Z: 14 16.882 1.739 0.574 0.909 0.923 0.846 CB 1.315 14 residues pruned to eliminate duplicates Z: 8 10.243 1.518 0.947 0.738 1.000 0.857 N 1.058 8 residues pruned to eliminate duplicates Z: 13 16.713 1.682 0.939 0.845 0.833 0.500 CB 1.320 13 residues pruned to eliminate duplicates Z: 21 5.493 1.747 0.394 0.259 0.650 0.250 CB 1.021 14 residues pruned to eliminate duplicates Z: 10 6.951 1.468 0.441 0.659 0.889 0.667 CB 1.063 9 residues pruned to eliminate duplicates Z: 7 5.028 1.561 0.190 0.406 1.000 0.500 N 1.220 8 residues pruned to eliminate duplicates Z: 7 2.814 1.523 0.339 0.824 1.000 0.500 CB 0.425 7 residues pruned to eliminate duplicates Z: 12 4.152 1.492 0.388 0.352 0.727 0.455 CB 0.975 Z: 9 5.933 1.661 0.338 0.500 0.875 0.625 CB 1.079 8 residues pruned to eliminate duplicates Z: 7 7.270 1.637 0.691 0.522 0.833 0.333 CB 1.258 Z: 35 25.527 1.750 0.626 0.733 0.971 0.706 CB 1.285 34 residues pruned to eliminate duplicates Z: 9 5.503 1.670 0.424 0.486 0.750 0.500 CB 1.106 6 1.484 1.285 0.278 0.298 1.000 0.800 CB 0.506 ? Z: 25 17.320 1.731 0.933 0.486 0.833 0.333 CB 1.286 25 residues pruned to eliminate duplicates Z: 17 12.231 1.479 0.503 0.840 0.938 0.812 CB 1.095 17 residues pruned to eliminate duplicates Z: 7 3.080 1.332 0.354 0.425 0.667 0.500 N 1.132 Z: 12 6.238 1.679 0.250 0.373 0.818 0.364 CB 1.255 12 residues pruned to eliminate duplicates 7 1.980 1.222 0.702 0.313 0.667 0.500 N 0.717 ? 417 residues left after pruning, divided into chains as follows: A: 16 B: 8 C: 7 D: 7 E: 17 F: 12 G: 71 H: 12 I: 15 J: 7 K: 35 L: 14 M: 41 N: 11 O: 8 P: 19 Q: 19 R: 46 S: 9 T: 17 U: 26 CC for partial structure against native data = 38.97 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.494, Connect. = 0.711 for dens.mod. cycle 1 = 0.299, Contrast = 0.574, Connect. = 0.739 for dens.mod. cycle 2 = 0.299, Contrast = 0.675, Connect. = 0.768 for dens.mod. cycle 3 = 0.299, Contrast = 0.686, Connect. = 0.770 for dens.mod. cycle 4 = 0.299, Contrast = 0.696, Connect. = 0.772 for dens.mod. cycle 5 = 0.299, Contrast = 0.698, Connect. = 0.773 for dens.mod. cycle 6 = 0.299, Contrast = 0.702, Connect. = 0.774 for dens.mod. cycle 7 = 0.299, Contrast = 0.701, Connect. = 0.775 for dens.mod. cycle 8 = 0.299, Contrast = 0.702, Connect. = 0.776 for dens.mod. cycle 9 = 0.299, Contrast = 0.701, Connect. = 0.777 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1725 peaks > 0.5 sigma used to seed fragment search Space for about 738 unique residues taking solvent into account 449 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 27 32.721 2.117 0.479 0.861 1.000 0.808 CB 1.505 B: 27 29.297 2.103 0.465 0.870 0.962 0.731 CB 1.415 27 residues pruned to eliminate duplicates C: 16 30.833 2.016 0.839 0.876 0.933 0.667 N 1.672 D: 26 24.278 1.930 0.421 0.859 0.920 0.800 CB 1.416 E: 27 31.811 2.031 0.650 0.882 1.000 0.885 CB 1.348 27 residues pruned to eliminate duplicates F: 20 24.576 1.968 0.482 0.889 0.947 0.737 CB 1.469 20 residues pruned to eliminate duplicates G: 25 33.641 2.118 0.553 0.897 1.000 0.833 CB 1.494 25 residues pruned to eliminate duplicates H: 17 27.342 1.869 0.930 0.891 0.938 0.688 CB 1.453 16 residues pruned to eliminate duplicates I: 29 28.951 1.966 0.598 0.864 0.964 0.857 CB 1.324 29 residues pruned to eliminate duplicates J: 28 33.258 2.069 0.591 0.849 1.000 0.741 CB 1.442 27 residues pruned to eliminate duplicates K: 15 30.090 1.927 0.895 0.929 1.000 0.929 CB 1.541 L: 27 37.244 2.089 0.870 0.845 1.000 0.538 CB 1.390 27 residues pruned to eliminate duplicates M: 6 18.649 2.191 0.688 0.873 1.000 1.000 CB 1.642 N: 24 27.658 1.908 0.554 0.887 1.000 0.652 CB 1.402 24 residues pruned to eliminate duplicates O: 27 35.662 2.122 0.543 0.887 1.000 0.962 CB 1.539 27 residues pruned to eliminate duplicates P: 16 30.269 1.969 0.724 0.931 1.000 0.867 CB 1.609 17 residues pruned to eliminate duplicates Q: 28 32.539 2.098 0.457 0.859 1.000 0.815 CB 1.508 28 residues pruned to eliminate duplicates R: 20 32.618 2.095 0.642 0.845 0.947 0.842 CB 1.707 20 residues pruned to eliminate duplicates S: 17 25.909 1.921 0.818 0.895 0.938 0.750 CB 1.417 17 residues pruned to eliminate duplicates T: 12 23.556 1.822 0.994 0.920 1.000 0.636 CB 1.376 U: 20 31.309 1.824 0.892 0.915 1.000 0.842 CB 1.471 15 residues pruned to eliminate duplicates V: 23 13.110 1.883 0.648 0.391 0.818 0.545 CB 1.235 W: 16 24.869 1.968 0.680 0.893 0.933 0.867 CB 1.494 16 residues pruned to eliminate duplicates X: 29 35.250 2.059 0.659 0.837 1.000 0.821 CB 1.458 29 residues pruned to eliminate duplicates Y: 16 24.901 1.974 0.494 0.913 0.933 0.733 CB 1.653 16 residues pruned to eliminate duplicates Z: 16 22.036 1.965 0.471 0.923 1.000 1.000 CB 1.384 Z: 20 30.664 1.828 0.964 0.871 1.000 0.789 CB 1.430 20 residues pruned to eliminate duplicates Z: 11 7.665 1.726 0.473 0.389 0.900 0.700 CB 1.192 Z: 17 15.104 1.784 0.346 0.891 0.938 0.750 CB 1.206 Z: 11 23.405 2.060 0.887 0.840 0.900 0.800 CB 1.579 11 residues pruned to eliminate duplicates Z: 9 18.483 2.086 0.812 0.856 1.000 1.000 CB 1.276 Z: 19 28.796 1.819 0.890 0.898 1.000 0.889 CB 1.412 19 residues pruned to eliminate duplicates Z: 17 25.167 1.938 0.787 0.874 1.000 0.812 CB 1.322 16 residues pruned to eliminate duplicates Z: 15 24.421 1.850 1.116 0.925 1.000 0.786 CB 1.169 Z: 11 15.824 1.722 0.848 0.876 1.000 0.800 CB 1.143 6 residues pruned to eliminate duplicates Z: 15 20.328 1.916 0.553 0.907 1.000 0.786 CB 1.298 14 residues pruned to eliminate duplicates Z: 13 21.340 1.855 0.890 0.862 0.917 0.667 CA 1.407 12 residues pruned to eliminate duplicates Z: 13 24.845 1.853 0.882 0.902 1.000 0.917 CB 1.467 13 residues pruned to eliminate duplicates Z: 16 23.056 1.875 0.559 0.923 1.000 1.000 CB 1.431 16 residues pruned to eliminate duplicates Z: 15 15.831 1.903 0.697 0.553 1.000 0.643 CB 1.244 9 residues pruned to eliminate duplicates Z: 17 32.087 1.934 0.874 0.945 1.000 0.938 CB 1.532 16 residues pruned to eliminate duplicates Z: 25 28.406 1.932 0.535 0.920 1.000 0.750 CB 1.378 25 residues pruned to eliminate duplicates Z: 16 29.588 2.008 0.800 0.876 0.933 0.600 CB 1.645 16 residues pruned to eliminate duplicates Z: 15 24.131 1.921 0.837 0.906 1.000 0.786 CB 1.300 15 residues pruned to eliminate duplicates Z: 20 28.676 1.847 0.716 0.912 1.000 0.737 CB 1.469 20 residues pruned to eliminate duplicates Z: 13 23.953 1.868 0.788 0.925 1.000 0.917 CA 1.452 13 residues pruned to eliminate duplicates Z: 48 21.814 1.891 0.700 0.491 0.872 0.638 CB 1.145 15 residues pruned to eliminate duplicates Z: 16 31.937 1.844 1.153 0.910 1.000 0.933 CA 1.473 Z: 13 24.413 1.881 0.769 0.922 1.000 0.917 CA 1.490 13 residues pruned to eliminate duplicates Z: 25 31.945 2.088 0.544 0.861 1.000 0.708 CB 1.486 25 residues pruned to eliminate duplicates Z: 17 30.444 1.816 1.039 0.931 1.000 0.875 N 1.437 17 residues pruned to eliminate duplicates Z: 16 14.907 1.808 0.369 0.900 0.933 0.733 CB 1.190 16 residues pruned to eliminate duplicates Z: 16 22.198 1.816 0.677 0.887 1.000 0.733 CB 1.357 Z: 24 36.579 2.074 1.034 0.892 0.957 0.652 CB 1.358 24 residues pruned to eliminate duplicates Z: 15 17.974 1.851 0.706 0.865 0.857 0.643 CB 1.300 15 residues pruned to eliminate duplicates Z: 11 7.069 1.910 0.097 0.492 1.000 0.600 CB 1.075 Z: 10 19.275 1.869 0.887 0.811 1.000 0.778 CB 1.390 7 residues pruned to eliminate duplicates Z: 25 26.852 1.899 0.504 0.897 1.000 0.792 CB 1.374 25 residues pruned to eliminate duplicates Z: 15 24.390 2.008 0.786 0.943 1.000 0.929 CB 1.260 9 residues pruned to eliminate duplicates Z: 17 19.415 1.892 0.623 0.903 0.938 0.750 CB 1.202 17 residues pruned to eliminate duplicates Z: 25 16.404 1.972 0.633 0.483 0.833 0.542 CB 1.269 16 residues pruned to eliminate duplicates Z: 10 13.515 1.825 0.641 0.854 0.889 0.778 CB 1.250 Z: 7 18.073 2.085 0.785 0.839 1.000 0.667 CB 1.481 7 residues pruned to eliminate duplicates Z: 7 12.469 1.999 0.687 0.874 1.000 1.000 CB 1.099 7 residues pruned to eliminate duplicates Z: 16 26.673 1.786 1.086 0.901 0.933 0.867 CA 1.413 16 residues pruned to eliminate duplicates Z: 16 25.583 1.986 0.708 0.913 0.933 0.800 CB 1.478 16 residues pruned to eliminate duplicates Z: 13 15.675 1.876 0.369 0.897 0.917 0.667 CB 1.376 17 residues pruned to eliminate duplicates Z: 13 14.985 1.822 0.511 0.856 0.917 0.667 CB 1.264 13 residues pruned to eliminate duplicates Z: 17 13.779 1.773 0.374 0.851 0.875 0.625 CB 1.196 18 residues pruned to eliminate duplicates Z: 27 28.649 2.099 0.376 0.852 1.000 0.808 CB 1.439 27 residues pruned to eliminate duplicates Z: 17 32.556 1.931 0.810 0.938 1.000 1.000 CB 1.619 18 residues pruned to eliminate duplicates Z: 10 4.595 1.706 0.361 0.408 0.667 0.444 N 1.090 Z: 13 22.597 1.805 0.745 0.931 1.000 0.833 CB 1.448 13 residues pruned to eliminate duplicates Z: 11 20.110 1.816 0.852 0.858 1.000 0.800 CB 1.392 11 residues pruned to eliminate duplicates Z: 17 26.431 2.034 0.785 0.878 0.938 0.812 CB 1.409 17 residues pruned to eliminate duplicates Z: 17 16.996 1.900 0.812 0.854 0.875 0.500 CB 1.041 16 residues pruned to eliminate duplicates Z: 15 22.659 1.995 0.978 0.921 0.929 0.786 CB 1.163 15 residues pruned to eliminate duplicates Z: 9 18.412 1.891 0.855 0.872 1.000 0.875 CB 1.353 9 residues pruned to eliminate duplicates Z: 19 16.242 1.749 0.618 0.859 0.944 0.833 CB 1.054 14 residues pruned to eliminate duplicates Z: 16 29.535 1.861 1.031 0.940 1.000 1.000 CA 1.401 16 residues pruned to eliminate duplicates Z: 21 17.404 1.725 0.701 0.818 1.000 0.600 CB 1.006 21 residues pruned to eliminate duplicates Z: 19 17.079 1.999 0.280 0.838 0.889 0.667 CB 1.323 19 residues pruned to eliminate duplicates Z: 19 29.753 1.870 0.763 0.889 1.000 0.778 CB 1.531 19 residues pruned to eliminate duplicates Z: 26 30.719 2.082 0.609 0.860 0.960 0.840 CB 1.405 26 residues pruned to eliminate duplicates Z: 17 29.531 1.779 1.142 0.901 1.000 0.938 CA 1.383 17 residues pruned to eliminate duplicates Z: 7 15.764 2.113 0.632 0.875 1.000 0.667 CB 1.357 7 residues pruned to eliminate duplicates Z: 15 21.538 1.843 0.754 0.858 0.929 0.786 CB 1.413 15 residues pruned to eliminate duplicates Z: 7 15.731 2.090 0.778 0.708 1.000 0.833 CB 1.431 7 residues pruned to eliminate duplicates Z: 16 27.621 1.941 0.918 0.896 1.000 0.867 CB 1.372 16 residues pruned to eliminate duplicates Z: 18 25.018 1.928 0.719 0.925 0.941 0.882 CB 1.365 18 residues pruned to eliminate duplicates Z: 25 22.082 1.847 0.685 0.867 0.875 0.458 CB 1.211 25 residues pruned to eliminate duplicates Z: 23 14.201 1.822 0.750 0.519 0.864 0.455 CB 1.079 23 residues pruned to eliminate duplicates Z: 24 19.986 1.857 0.730 0.568 0.913 0.652 CB 1.330 20 residues pruned to eliminate duplicates Z: 10 10.163 1.819 0.403 0.818 0.778 0.667 CB 1.294 10 residues pruned to eliminate duplicates Z: 12 5.720 1.615 0.304 0.382 1.000 0.455 CB 0.929 Z: 25 28.879 2.116 0.383 0.879 0.958 0.875 CB 1.524 25 residues pruned to eliminate duplicates Z: 48 25.001 1.916 0.733 0.517 0.851 0.553 CB 1.269 48 residues pruned to eliminate duplicates Z: 16 29.564 1.930 0.972 0.908 1.000 0.733 CB 1.424 16 residues pruned to eliminate duplicates Z: 10 14.959 1.761 0.485 0.792 1.000 0.667 N 1.476 Z: 16 21.095 1.934 0.848 0.886 0.933 0.867 CB 1.178 17 residues pruned to eliminate duplicates Z: 24 19.538 1.970 0.653 0.507 0.913 0.652 CB 1.360 18 residues pruned to eliminate duplicates Z: 8 8.029 1.748 0.603 0.571 0.857 0.714 CB 1.179 Z: 26 29.444 1.965 0.597 0.872 1.000 0.760 CB 1.369 26 residues pruned to eliminate duplicates Z: 16 25.643 1.784 0.843 0.862 1.000 0.733 CB 1.479 16 residues pruned to eliminate duplicates Z: 9 13.718 1.910 0.461 0.883 1.000 0.875 CB 1.258 9 residues pruned to eliminate duplicates Z: 7 12.948 2.000 0.699 0.830 1.000 0.833 CB 1.170 7 residues pruned to eliminate duplicates Z: 45 19.321 1.834 0.669 0.399 0.864 0.545 CB 1.226 39 residues pruned to eliminate duplicates Z: 12 8.801 1.580 0.194 0.756 0.909 0.545 CB 1.232 12 residues pruned to eliminate duplicates Z: 14 19.021 1.828 0.867 0.863 0.923 0.846 CB 1.228 14 residues pruned to eliminate duplicates Z: 25 21.442 1.915 0.314 0.847 0.958 0.667 CB 1.347 25 residues pruned to eliminate duplicates Z: 17 20.233 1.896 0.492 0.913 1.000 0.812 CB 1.265 17 residues pruned to eliminate duplicates Z: 9 16.635 1.772 0.933 0.872 0.875 0.750 CA 1.430 9 residues pruned to eliminate duplicates Z: 14 16.435 1.859 0.797 0.906 1.000 0.846 CB 0.970 15 residues pruned to eliminate duplicates Z: 16 26.655 1.799 0.966 0.923 1.000 1.000 CB 1.368 16 residues pruned to eliminate duplicates Z: 14 5.058 1.501 0.398 0.409 0.692 0.308 CB 1.062 Z: 17 30.823 1.984 0.699 0.929 1.000 0.938 CB 1.600 17 residues pruned to eliminate duplicates Z: 15 26.550 1.931 0.812 0.920 1.000 0.786 CB 1.428 15 residues pruned to eliminate duplicates Z: 23 24.392 1.917 0.487 0.866 0.955 0.818 CB 1.399 23 residues pruned to eliminate duplicates Z: 26 34.011 2.095 0.666 0.889 1.000 0.840 CB 1.403 26 residues pruned to eliminate duplicates Z: 12 10.385 1.708 0.592 0.753 0.727 0.727 CB 1.263 11 residues pruned to eliminate duplicates Z: 19 23.960 1.882 0.621 0.837 0.944 0.833 CB 1.466 19 residues pruned to eliminate duplicates Z: 18 13.434 1.915 0.640 0.398 0.824 0.765 CB 1.404 18 residues pruned to eliminate duplicates Z: 9 15.325 2.007 0.326 0.916 1.000 0.875 CB 1.438 9 residues pruned to eliminate duplicates Z: 26 15.515 1.760 0.645 0.513 0.760 0.440 CB 1.392 21 residues pruned to eliminate duplicates Z: 15 20.978 1.920 0.524 0.922 1.000 0.929 CB 1.346 14 residues pruned to eliminate duplicates Z: 12 8.049 1.801 0.374 0.427 0.909 0.636 CB 1.165 Z: 15 15.302 1.817 0.349 0.894 1.000 0.929 CB 1.196 15 residues pruned to eliminate duplicates Z: 10 13.579 1.691 0.827 0.873 1.000 0.667 CB 1.067 10 residues pruned to eliminate duplicates Z: 7 6.882 1.902 0.380 0.497 0.833 0.667 CB 1.288 Z: 10 17.121 1.850 0.732 0.859 1.000 0.778 CA 1.310 10 residues pruned to eliminate duplicates Z: 16 18.486 1.957 0.406 0.902 1.000 0.867 CB 1.238 16 residues pruned to eliminate duplicates Z: 15 20.227 1.901 0.387 0.928 1.000 0.857 CA 1.435 15 residues pruned to eliminate duplicates Z: 9 14.623 1.878 0.597 0.866 1.000 0.750 CB 1.262 9 residues pruned to eliminate duplicates Z: 24 17.237 1.910 0.573 0.486 0.826 0.565 CB 1.469 24 residues pruned to eliminate duplicates Z: 9 5.341 1.550 0.657 0.387 0.750 0.625 CB 1.105 Z: 26 17.054 1.811 0.780 0.558 0.920 0.520 CB 1.087 26 residues pruned to eliminate duplicates Z: 48 25.668 1.926 0.618 0.547 0.872 0.617 CB 1.315 48 residues pruned to eliminate duplicates Z: 16 16.772 1.674 0.636 0.880 1.000 0.733 CB 1.146 Z: 25 21.117 1.943 0.359 0.864 0.958 0.708 CB 1.249 25 residues pruned to eliminate duplicates Z: 18 23.873 1.975 0.590 0.909 0.941 0.765 CB 1.390 18 residues pruned to eliminate duplicates Z: 46 19.995 1.914 0.536 0.505 0.844 0.600 CB 1.195 46 residues pruned to eliminate duplicates Z: 12 10.888 1.800 0.567 0.407 0.909 0.545 CB 1.412 12 residues pruned to eliminate duplicates Z: 14 18.831 1.911 0.484 0.913 1.000 0.923 CB 1.303 14 residues pruned to eliminate duplicates Z: 29 32.950 2.014 0.586 0.878 1.000 0.857 CB 1.415 29 residues pruned to eliminate duplicates Z: 6 2.969 1.755 0.170 0.436 0.800 0.800 CB 0.863 6 residues pruned to eliminate duplicates Z: 18 20.993 1.852 0.472 0.935 1.000 1.000 CB 1.302 16 residues pruned to eliminate duplicates Z: 15 17.993 1.833 0.503 0.910 1.000 0.857 CB 1.239 15 residues pruned to eliminate duplicates Z: 18 14.771 1.739 0.422 0.818 0.941 0.647 CB 1.168 17 residues pruned to eliminate duplicates Z: 13 10.173 1.670 0.468 0.492 1.000 0.500 CB 1.207 9 residues pruned to eliminate duplicates Z: 16 25.978 1.881 0.748 0.871 1.000 0.800 CB 1.488 16 residues pruned to eliminate duplicates Z: 18 30.311 1.885 0.910 0.882 1.000 0.882 CB 1.477 18 residues pruned to eliminate duplicates Z: 20 20.375 2.011 0.398 0.631 1.000 0.737 CB 1.470 20 residues pruned to eliminate duplicates Z: 9 7.208 1.934 0.830 0.792 1.000 0.875 CB 0.557 Z: 16 14.776 1.678 0.725 0.889 0.867 0.733 CB 1.095 15 residues pruned to eliminate duplicates Z: 9 9.151 1.547 0.739 0.749 0.875 0.625 CB 1.100 Z: 9 11.975 1.631 0.885 0.858 0.875 0.875 CB 1.159 9 residues pruned to eliminate duplicates Z: 12 6.858 1.646 0.450 0.518 0.909 0.455 CB 0.937 12 residues pruned to eliminate duplicates Z: 12 6.826 1.756 0.442 0.464 0.727 0.636 CB 1.159 Z: 13 5.865 1.617 0.301 0.352 0.833 0.500 CB 1.134 12 residues pruned to eliminate duplicates Z: 7 2.772 1.666 0.512 0.328 0.667 0.333 CB 0.814 7 residues pruned to eliminate duplicates Z: 16 32.662 2.014 0.910 0.868 0.933 0.733 N 1.717 16 residues pruned to eliminate duplicates Z: 37 23.882 1.947 0.722 0.483 0.917 0.500 CB 1.318 36 residues pruned to eliminate duplicates Z: 26 36.734 2.080 0.725 0.924 1.000 0.920 CB 1.437 26 residues pruned to eliminate duplicates Z: 7 9.375 1.558 0.655 0.765 1.000 0.667 CB 1.173 7 residues pruned to eliminate duplicates Z: 11 5.339 1.700 0.480 0.244 0.900 0.200 CB 1.002 9 residues pruned to eliminate duplicates Z: 8 18.369 1.840 0.761 0.859 1.000 1.000 CB 1.576 Z: 16 22.021 1.902 0.793 0.863 0.867 0.733 CB 1.411 16 residues pruned to eliminate duplicates Z: 27 33.405 1.984 0.660 0.901 1.000 0.885 CB 1.419 27 residues pruned to eliminate duplicates Z: 16 22.266 1.819 1.001 0.899 1.000 0.333 CB 1.129 24 residues pruned to eliminate duplicates Z: 15 19.079 1.768 0.588 0.779 1.000 0.643 CB 1.420 15 residues pruned to eliminate duplicates Z: 30 16.779 1.920 0.646 0.486 0.862 0.552 CB 1.160 30 residues pruned to eliminate duplicates Z: 16 13.358 1.678 0.592 0.806 0.867 0.600 CB 1.141 16 residues pruned to eliminate duplicates Z: 18 15.465 1.736 0.432 0.907 1.000 0.824 CB 1.072 18 residues pruned to eliminate duplicates Z: 24 24.226 1.973 0.340 0.875 1.000 0.870 CB 1.390 24 residues pruned to eliminate duplicates Z: 28 16.457 1.989 0.552 0.429 0.889 0.407 CB 1.243 28 residues pruned to eliminate duplicates Z: 7 8.796 1.576 0.570 0.636 1.000 0.667 O 1.277 Z: 49 26.849 1.889 0.765 0.501 0.958 0.708 CB 1.211 50 residues pruned to eliminate duplicates Z: 17 14.423 1.828 0.388 0.855 0.938 0.750 CB 1.119 17 residues pruned to eliminate duplicates Z: 14 3.613 1.566 0.072 0.182 0.692 0.308 CB 1.263 Z: 7 2.146 1.566 0.438 0.348 0.667 0.667 CB 0.688 Z: 7 4.177 1.562 0.368 0.389 0.833 0.500 CB 1.078 Z: 11 20.728 1.904 0.724 0.905 1.000 0.800 CB 1.421 11 residues pruned to eliminate duplicates Z: 35 26.965 1.879 0.945 0.621 0.971 0.647 CB 1.163 35 residues pruned to eliminate duplicates Z: 10 9.726 1.954 0.316 0.436 0.889 0.667 CB 1.515 10 residues pruned to eliminate duplicates Z: 8 5.373 1.996 0.967 0.912 1.000 1.000 CB 0.366 8 residues pruned to eliminate duplicates Z: 21 27.114 2.022 0.413 0.900 1.000 0.900 CB 1.516 21 residues pruned to eliminate duplicates Z: 7 5.241 1.560 0.333 0.592 0.833 0.500 CB 1.130 7 residues pruned to eliminate duplicates Z: 27 30.253 2.076 0.392 0.894 1.000 0.885 CB 1.472 27 residues pruned to eliminate duplicates Z: 11 13.229 1.620 0.683 0.837 0.900 0.700 N 1.275 11 residues pruned to eliminate duplicates Z: 27 20.059 1.993 0.674 0.490 0.923 0.500 CB 1.290 27 residues pruned to eliminate duplicates Z: 7 5.192 1.537 0.889 0.532 0.667 0.667 CB 1.061 7 residues pruned to eliminate duplicates Z: 31 20.013 1.782 0.660 0.641 0.900 0.600 CB 1.203 31 residues pruned to eliminate duplicates Z: 6 3.627 1.590 0.267 0.626 0.800 0.600 N 0.894 Z: 11 4.995 1.628 0.316 0.421 0.800 0.500 CB 1.000 Z: 9 9.890 1.815 0.390 0.899 1.000 0.875 CB 0.991 9 residues pruned to eliminate duplicates Z: 6 6.692 1.759 0.278 0.783 1.000 0.600 CB 1.038 6 residues pruned to eliminate duplicates Z: 20 10.676 1.664 0.635 0.323 0.842 0.526 CB 1.300 19 residues pruned to eliminate duplicates Z: 14 21.455 1.887 0.575 0.930 1.000 0.846 CB 1.400 14 residues pruned to eliminate duplicates Z: 20 27.090 1.782 0.797 0.832 1.000 0.737 CB 1.457 20 residues pruned to eliminate duplicates Z: 8 3.878 1.627 0.041 0.313 0.857 0.571 N 1.241 Z: 17 21.835 1.883 0.866 0.907 1.000 0.750 CB 1.104 22 residues pruned to eliminate duplicates Z: 7 3.996 1.437 0.547 0.614 1.000 0.333 CB 0.659 Z: 7 3.043 1.424 0.686 0.543 0.667 0.667 CB 0.744 Z: 13 19.806 1.824 0.923 0.927 0.917 0.333 CB 1.246 13 residues pruned to eliminate duplicates Z: 16 29.556 1.783 1.217 0.920 1.000 0.733 CB 1.360 16 residues pruned to eliminate duplicates Z: 20 12.745 1.831 0.491 0.502 0.789 0.474 CB 1.353 20 residues pruned to eliminate duplicates Z: 7 3.742 1.437 0.179 0.406 1.000 0.667 CB 0.995 Z: 17 25.198 1.858 0.762 0.866 0.938 0.812 O 1.502 17 residues pruned to eliminate duplicates Z: 23 26.652 1.914 0.610 0.848 1.000 0.636 CB 1.368 23 residues pruned to eliminate duplicates Z: 7 3.875 1.491 0.329 0.355 0.667 0.500 CB 1.401 Z: 8 7.854 1.754 0.224 0.808 0.857 0.714 CB 1.233 8 residues pruned to eliminate duplicates Z: 9 13.260 1.889 0.933 0.813 0.875 0.625 CB 1.118 9 residues pruned to eliminate duplicates Z: 26 17.790 1.953 0.635 0.439 0.880 0.520 CB 1.349 26 residues pruned to eliminate duplicates Z: 9 10.569 1.617 0.440 0.857 1.000 0.875 CB 1.183 9 residues pruned to eliminate duplicates Z: 12 9.733 1.503 0.585 0.583 1.000 0.727 CA 1.137 Z: 7 3.072 1.236 0.341 0.457 1.000 0.500 CB 0.791 Z: 14 10.587 1.742 0.274 0.667 1.000 0.692 CB 1.133 14 residues pruned to eliminate duplicates Z: 8 13.824 1.980 0.617 0.827 1.000 0.714 CB 1.229 8 residues pruned to eliminate duplicates Z: 17 12.567 1.766 0.037 0.902 1.000 0.812 CB 1.224 17 residues pruned to eliminate duplicates Z: 9 14.996 1.605 0.798 0.844 1.000 0.875 CB 1.367 9 residues pruned to eliminate duplicates Z: 10 2.662 1.462 0.143 0.177 0.667 0.444 CB 1.177 10 residues pruned to eliminate duplicates Z: 9 4.820 1.699 0.608 0.312 0.750 0.375 CB 1.024 Z: 13 14.766 1.912 0.532 0.855 0.917 0.833 CB 1.172 13 residues pruned to eliminate duplicates Z: 10 4.317 1.433 0.914 0.250 0.667 0.333 CB 1.049 Z: 9 5.401 1.684 0.383 0.316 0.750 0.500 CB 1.338 8 residues pruned to eliminate duplicates Z: 17 15.352 1.655 0.484 0.855 1.000 0.875 CB 1.153 17 residues pruned to eliminate duplicates Z: 18 16.742 1.767 0.514 0.889 1.000 0.765 CB 1.093 17 residues pruned to eliminate duplicates Z: 19 25.836 1.787 0.838 0.850 1.000 0.778 CB 1.373 19 residues pruned to eliminate duplicates Z: 36 20.098 1.939 0.592 0.462 0.914 0.629 CB 1.252 36 residues pruned to eliminate duplicates 6 1.923 1.488 0.247 0.295 0.800 0.600 CB 0.729 ? Z: 10 19.333 1.848 0.862 0.808 1.000 0.556 CA 1.432 10 residues pruned to eliminate duplicates Z: 28 17.937 1.955 0.618 0.450 0.889 0.481 CB 1.293 28 residues pruned to eliminate duplicates Z: 7 7.486 1.940 0.186 0.820 1.000 0.333 CB 1.007 7 residues pruned to eliminate duplicates Z: 24 23.465 1.922 0.657 0.882 0.913 0.696 CB 1.218 26 residues pruned to eliminate duplicates Z: 6 5.692 1.477 0.600 0.693 0.800 0.600 CB 1.129 6 residues pruned to eliminate duplicates Z: 10 3.443 1.461 0.592 0.290 0.778 0.333 CB 0.803 Z: 37 24.630 1.959 0.683 0.471 0.944 0.694 CB 1.358 38 residues pruned to eliminate duplicates Z: 10 8.656 1.362 0.565 0.584 1.000 0.444 O 1.249 10 residues pruned to eliminate duplicates Z: 12 3.497 1.497 0.483 0.325 0.727 0.364 CB 0.791 13 residues pruned to eliminate duplicates Z: 8 16.935 1.701 1.109 0.784 1.000 0.714 N 1.390 8 residues pruned to eliminate duplicates Z: 7 6.768 1.594 0.821 0.624 0.833 0.667 CB 1.017 11 residues pruned to eliminate duplicates Z: 11 9.400 1.706 0.763 0.437 0.800 0.400 CB 1.319 11 residues pruned to eliminate duplicates Z: 15 17.907 1.870 0.397 0.880 0.929 0.714 CB 1.430 17 residues pruned to eliminate duplicates Z: 31 36.697 2.064 0.641 0.801 1.000 0.900 CB 1.521 34 residues pruned to eliminate duplicates Z: 18 11.737 1.695 0.647 0.797 0.765 0.412 CB 1.028 16 residues pruned to eliminate duplicates Z: 25 18.641 1.821 0.899 0.659 1.000 0.708 CB 0.949 25 residues pruned to eliminate duplicates Z: 9 7.403 1.619 0.706 0.505 0.750 0.625 CB 1.258 Z: 29 18.628 1.944 0.599 0.518 0.893 0.643 CB 1.245 29 residues pruned to eliminate duplicates Z: 13 20.281 1.820 0.907 0.906 0.917 0.750 CB 1.309 13 residues pruned to eliminate duplicates Z: 7 6.510 1.392 0.467 0.767 0.833 0.333 CB 1.232 7 residues pruned to eliminate duplicates Z: 7 2.385 1.447 0.754 0.384 0.833 0.500 CB 0.521 6 residues pruned to eliminate duplicates Z: 15 15.869 1.690 0.726 0.925 1.000 0.857 CB 1.020 15 residues pruned to eliminate duplicates Z: 16 17.624 1.826 0.456 0.905 1.000 0.733 CB 1.219 16 residues pruned to eliminate duplicates Z: 26 28.929 1.854 0.638 0.899 1.000 0.760 CB 1.362 24 residues pruned to eliminate duplicates Z: 17 16.449 1.816 0.420 0.902 1.000 0.812 CB 1.138 18 residues pruned to eliminate duplicates Z: 24 25.201 1.933 0.429 0.875 0.957 0.696 CB 1.447 24 residues pruned to eliminate duplicates Z: 7 6.326 1.677 0.374 0.322 1.000 0.667 CB 1.363 7 residues pruned to eliminate duplicates Z: 6 4.925 1.730 0.658 0.496 1.000 0.800 CB 0.771 Z: 8 10.023 1.609 0.769 0.563 1.000 0.429 CB 1.252 8 residues pruned to eliminate duplicates Z: 6 4.609 1.687 0.838 0.853 1.000 1.000 CB 0.491 Z: 16 5.460 1.772 0.294 0.200 0.800 0.467 CB 1.098 16 residues pruned to eliminate duplicates 6 1.858 1.363 0.861 0.285 0.600 0.600 CB 0.696 ? Z: 19 16.742 1.747 0.682 0.688 0.944 0.667 CB 1.196 19 residues pruned to eliminate duplicates Z: 6 3.276 1.786 1.029 0.290 0.800 0.600 CB 0.640 Z: 19 19.847 1.737 0.687 0.841 1.000 0.667 CB 1.191 19 residues pruned to eliminate duplicates Z: 29 37.283 2.011 0.843 0.840 1.000 0.679 CB 1.419 29 residues pruned to eliminate duplicates Z: 14 21.648 1.924 0.525 0.937 1.000 1.000 CB 1.425 14 residues pruned to eliminate duplicates Z: 6 5.029 1.428 0.119 0.776 1.000 0.800 CB 1.104 Z: 20 9.958 1.539 0.654 0.455 0.842 0.474 CB 1.116 20 residues pruned to eliminate duplicates Z: 12 6.037 1.476 1.033 0.784 0.909 0.545 CB 0.520 Z: 15 25.435 1.861 1.176 0.898 0.929 0.714 CB 1.293 15 residues pruned to eliminate duplicates Z: 25 22.319 1.843 0.856 0.615 0.958 0.750 CB 1.246 23 residues pruned to eliminate duplicates Z: 17 23.014 1.874 0.574 0.883 0.938 0.812 CB 1.505 17 residues pruned to eliminate duplicates Z: 17 25.794 1.885 0.704 0.850 1.000 0.812 CB 1.487 17 residues pruned to eliminate duplicates Z: 37 17.381 1.941 0.515 0.441 0.861 0.472 CB 1.216 37 residues pruned to eliminate duplicates 6 1.686 1.337 0.214 0.240 0.600 0.200 CB 1.046 ? Z: 25 12.677 1.911 0.463 0.391 0.833 0.542 CB 1.246 25 residues pruned to eliminate duplicates Z: 10 10.822 1.828 0.475 0.798 0.889 0.667 CB 1.159 10 residues pruned to eliminate duplicates Z: 7 7.574 1.801 0.589 0.302 1.000 0.500 CB 1.347 7 residues pruned to eliminate duplicates Z: 22 26.840 1.943 0.659 0.893 1.000 0.810 CB 1.304 22 residues pruned to eliminate duplicates Z: 17 10.688 1.617 0.591 0.742 0.812 0.500 CB 1.029 17 residues pruned to eliminate duplicates Z: 13 9.532 1.499 0.715 0.584 0.833 0.500 CB 1.186 13 residues pruned to eliminate duplicates Z: 12 23.782 1.857 0.937 0.916 1.000 1.000 CB 1.408 12 residues pruned to eliminate duplicates Z: 6 2.687 1.371 0.089 0.836 1.000 1.000 CB 0.603 Z: 6 2.054 1.901 0.705 0.672 0.800 0.800 CB 0.302 Z: 6 4.232 1.561 0.912 0.618 0.600 0.400 CB 0.946 6 residues pruned to eliminate duplicates Z: 17 36.161 1.970 1.173 0.935 1.000 0.812 CB 1.472 17 residues pruned to eliminate duplicates Z: 12 9.072 1.653 0.440 0.673 0.727 0.455 CB 1.347 12 residues pruned to eliminate duplicates Z: 16 20.219 1.941 0.615 0.943 1.000 1.000 CB 1.155 17 residues pruned to eliminate duplicates Z: 27 11.245 1.677 0.441 0.421 0.923 0.654 CB 1.074 20 residues pruned to eliminate duplicates Z: 11 6.433 1.735 0.392 0.753 0.900 0.800 CB 0.747 6 residues pruned to eliminate duplicates Z: 13 13.517 1.619 0.523 0.871 0.917 0.917 CB 1.260 13 residues pruned to eliminate duplicates Z: 7 4.343 1.568 0.180 0.408 0.833 0.500 CB 1.267 Z: 65 41.962 1.964 0.692 0.715 0.984 0.688 CB 1.319 63 residues pruned to eliminate duplicates Z: 24 20.405 1.874 0.774 0.854 0.870 0.609 CB 1.087 31 residues pruned to eliminate duplicates 6 1.154 1.170 0.169 0.363 0.600 0.600 N 0.729 ? Z: 15 22.364 1.868 0.944 0.928 1.000 0.929 CB 1.152 15 residues pruned to eliminate duplicates Z: 16 11.005 1.650 0.632 0.489 0.867 0.533 CB 1.231 16 residues pruned to eliminate duplicates Z: 8 4.256 1.559 0.309 0.329 0.857 0.286 CB 1.109 Z: 8 10.326 1.836 0.959 0.546 0.714 0.571 CB 1.452 8 residues pruned to eliminate duplicates Z: 6 2.351 1.323 0.413 0.289 0.800 0.600 O 0.891 Z: 7 5.151 1.426 0.498 0.489 0.833 0.500 CA 1.195 6 residues pruned to eliminate duplicates Z: 7 4.569 1.237 0.706 0.608 1.000 0.667 CB 0.798 Z: 17 36.577 1.918 1.275 0.922 0.938 0.750 CB 1.572 17 residues pruned to eliminate duplicates Z: 8 4.215 1.718 0.349 0.684 0.857 0.571 CB 0.677 12 residues pruned to eliminate duplicates Z: 7 3.264 1.595 0.222 0.293 0.833 0.167 CB 1.035 Z: 9 5.896 1.401 0.362 0.793 0.750 0.500 O 1.126 6 residues pruned to eliminate duplicates Z: 15 2.275 1.611 0.578 0.152 0.429 0.286 N 0.856 Z: 7 4.346 1.642 0.260 0.759 1.000 0.667 CB 0.681 7 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 16 25.953 1.974 0.585 0.902 0.933 0.867 CB 1.636 16 residues pruned to eliminate duplicates Z: 23 18.660 1.984 0.468 0.604 0.864 0.591 CB 1.433 23 residues pruned to eliminate duplicates Z: 16 27.143 2.112 0.610 0.862 1.000 0.933 CB 1.513 16 residues pruned to eliminate duplicates Z: 16 31.661 2.068 0.815 0.895 0.933 0.933 CB 1.673 16 residues pruned to eliminate duplicates Z: 17 31.152 2.088 1.035 0.739 1.000 0.688 CB 1.480 15 residues pruned to eliminate duplicates Z: 17 25.016 1.883 0.690 0.881 0.938 0.812 CB 1.518 17 residues pruned to eliminate duplicates Z: 20 26.098 1.936 0.772 0.723 1.000 0.684 CB 1.427 20 residues pruned to eliminate duplicates Z: 16 28.974 2.104 0.681 0.862 1.000 0.733 CB 1.553 16 residues pruned to eliminate duplicates Z: 18 26.902 2.036 0.764 0.760 1.000 0.647 CB 1.441 18 residues pruned to eliminate duplicates Z: 22 24.719 2.002 0.824 0.640 0.952 0.714 CB 1.360 22 residues pruned to eliminate duplicates Z: 23 20.461 1.917 0.706 0.599 0.909 0.545 CB 1.335 23 residues pruned to eliminate duplicates Z: 17 28.467 2.073 0.827 0.806 0.938 0.625 CB 1.534 17 residues pruned to eliminate duplicates Z: 16 29.356 2.113 0.846 0.861 0.933 0.667 CB 1.530 16 residues pruned to eliminate duplicates Z: 16 29.243 2.063 0.673 0.868 0.933 0.733 CB 1.714 16 residues pruned to eliminate duplicates Z: 11 9.982 1.862 0.601 0.393 1.000 0.500 CB 1.186 11 residues pruned to eliminate duplicates Z: 18 7.027 1.729 0.555 0.325 0.765 0.353 CB 1.004 25 residues pruned to eliminate duplicates Z: 17 8.648 1.776 0.579 0.328 0.812 0.562 CB 1.146 22 residues pruned to eliminate duplicates Z: 6 3.414 1.439 0.628 0.411 0.800 0.400 CB 0.894 Z: 6 8.670 1.553 0.554 0.814 1.000 0.800 CB 1.223 Z: 7 5.715 1.484 0.235 0.833 0.833 0.833 N 1.145 7 residues pruned to eliminate duplicates Z: 6 5.588 1.525 0.416 0.828 0.800 0.800 CB 1.089 6 residues pruned to eliminate duplicates Z: 8 5.837 1.523 0.282 0.749 0.857 0.714 CB 1.056 8 residues pruned to eliminate duplicates Z: 7 7.565 1.547 0.388 0.782 1.000 0.500 CB 1.122 7 residues pruned to eliminate duplicates Z: 16 25.725 1.893 0.725 0.927 1.000 0.867 CB 1.425 16 residues pruned to eliminate duplicates Z: 19 17.021 1.812 0.804 0.702 1.000 0.722 CB 1.021 19 residues pruned to eliminate duplicates Z: 17 20.761 1.758 0.876 0.810 0.938 0.875 CB 1.281 17 residues pruned to eliminate duplicates Z: 17 23.077 1.931 0.943 0.801 1.000 0.750 CB 1.182 17 residues pruned to eliminate duplicates Z: 47 36.521 2.019 0.596 0.756 0.978 0.739 CB 1.360 47 residues pruned to eliminate duplicates Z: 17 19.596 1.817 0.650 0.809 0.938 0.875 CA 1.331 17 residues pruned to eliminate duplicates Z: 60 38.814 1.979 0.659 0.722 0.949 0.814 CB 1.327 60 residues pruned to eliminate duplicates Z: 24 15.848 1.734 0.711 0.627 0.826 0.652 CB 1.196 24 residues pruned to eliminate duplicates Z: 46 36.613 2.001 0.623 0.763 0.978 0.756 CB 1.361 46 residues pruned to eliminate duplicates Z: 20 16.492 1.833 0.802 0.675 0.895 0.789 CB 1.089 20 residues pruned to eliminate duplicates Z: 18 21.190 1.858 0.965 0.735 0.941 0.765 CB 1.211 18 residues pruned to eliminate duplicates Z: 25 17.528 1.757 0.777 0.629 0.875 0.625 CB 1.159 25 residues pruned to eliminate duplicates Z: 17 19.469 1.948 0.811 0.752 1.000 0.875 CB 1.102 17 residues pruned to eliminate duplicates Z: 16 21.341 1.927 0.981 0.814 0.933 0.933 CB 1.177 16 residues pruned to eliminate duplicates Z: 17 22.097 1.819 0.880 0.813 0.938 0.812 CB 1.313 17 residues pruned to eliminate duplicates Z: 12 25.933 1.979 0.937 0.909 0.909 0.727 CA 1.592 12 residues pruned to eliminate duplicates Z: 12 27.782 1.991 0.920 0.909 1.000 0.818 CA 1.555 13 residues pruned to eliminate duplicates Z: 13 24.539 1.817 0.941 0.919 1.000 0.583 CA 1.415 13 residues pruned to eliminate duplicates Z: 13 19.854 1.885 0.700 0.809 0.917 0.750 CB 1.491 13 residues pruned to eliminate duplicates Z: 14 20.147 1.820 0.625 0.830 0.923 0.538 CB 1.539 14 residues pruned to eliminate duplicates Z: 15 16.927 1.802 0.612 0.750 0.929 0.643 CB 1.341 15 residues pruned to eliminate duplicates Z: 13 21.151 1.846 0.739 0.812 0.917 0.750 CB 1.582 13 residues pruned to eliminate duplicates Z: 11 21.661 1.967 0.767 0.890 0.900 0.900 CB 1.576 11 residues pruned to eliminate duplicates Z: 17 16.530 1.663 0.682 0.649 0.938 0.688 CB 1.371 17 residues pruned to eliminate duplicates Z: 14 22.250 1.806 0.682 0.826 1.000 0.615 CA 1.533 14 residues pruned to eliminate duplicates Z: 15 9.122 1.717 0.659 0.378 0.857 0.286 CB 1.137 15 residues pruned to eliminate duplicates Z: 7 5.658 1.740 0.423 0.369 0.833 0.667 CB 1.288 7 residues pruned to eliminate duplicates Z: 6 5.062 1.729 0.377 0.455 0.800 0.600 CB 1.245 6 residues pruned to eliminate duplicates Z: 24 16.758 1.860 0.662 0.570 0.870 0.696 CB 1.215 24 residues pruned to eliminate duplicates Z: 18 11.017 1.784 0.397 0.582 0.882 0.647 CB 1.123 18 residues pruned to eliminate duplicates Z: 23 14.911 1.841 0.448 0.541 0.909 0.773 CB 1.261 23 residues pruned to eliminate duplicates Z: 24 17.907 1.856 0.584 0.555 0.913 0.478 CB 1.319 25 residues pruned to eliminate duplicates Z: 11 13.949 1.809 0.585 0.734 0.900 0.500 CB 1.384 11 residues pruned to eliminate duplicates Z: 22 14.121 1.835 0.486 0.515 0.857 0.571 CB 1.299 22 residues pruned to eliminate duplicates Z: 16 13.535 1.872 0.543 0.669 0.867 0.667 CB 1.195 16 residues pruned to eliminate duplicates Z: 23 18.644 1.871 0.530 0.607 0.955 0.727 CB 1.315 23 residues pruned to eliminate duplicates Z: 17 15.842 1.781 0.704 0.621 1.000 0.625 CB 1.164 17 residues pruned to eliminate duplicates Z: 19 16.886 1.832 0.577 0.615 1.000 0.778 CB 1.236 19 residues pruned to eliminate duplicates Z: 24 16.969 1.844 0.490 0.540 0.957 0.652 CB 1.294 24 residues pruned to eliminate duplicates Z: 23 16.984 1.862 0.540 0.591 0.955 0.909 CB 1.213 23 residues pruned to eliminate duplicates Z: 24 15.588 1.849 0.491 0.499 0.957 0.609 CB 1.234 24 residues pruned to eliminate duplicates Z: 15 17.423 1.895 0.767 0.613 0.929 0.786 CB 1.346 16 residues pruned to eliminate duplicates Z: 6 2.459 1.492 0.928 0.286 0.800 0.400 N 0.608 Z: 6 3.509 1.689 0.177 0.288 0.800 0.400 N 1.252 Z: 7 3.375 1.286 1.016 0.316 0.667 0.333 O 0.977 Z: 18 16.270 1.796 0.709 0.612 0.882 0.529 CB 1.310 25 residues pruned to eliminate duplicates Z: 16 14.441 1.836 0.592 0.746 0.867 0.533 CB 1.181 16 residues pruned to eliminate duplicates Z: 14 10.916 1.683 0.810 0.680 0.769 0.538 CB 1.095 14 residues pruned to eliminate duplicates Z: 28 14.596 1.850 0.700 0.586 0.852 0.667 CB 0.966 28 residues pruned to eliminate duplicates Z: 21 8.796 1.751 0.481 0.510 0.800 0.500 CB 0.939 21 residues pruned to eliminate duplicates Z: 18 7.896 1.672 0.550 0.460 0.765 0.353 CB 1.007 18 residues pruned to eliminate duplicates Z: 13 13.851 1.895 0.393 0.870 0.917 0.833 CB 1.206 13 residues pruned to eliminate duplicates Z: 15 18.029 1.875 0.663 0.801 0.929 0.714 CB 1.279 15 residues pruned to eliminate duplicates Z: 67 28.641 1.859 0.614 0.549 0.879 0.621 CB 1.274 72 residues pruned to eliminate duplicates Z: 18 15.884 1.752 0.355 0.864 1.000 0.824 CB 1.190 18 residues pruned to eliminate duplicates Z: 27 19.027 1.872 0.675 0.610 0.923 0.500 CB 1.162 27 residues pruned to eliminate duplicates Z: 26 19.375 1.893 0.658 0.620 0.880 0.680 CB 1.252 26 residues pruned to eliminate duplicates Z: 16 16.031 1.852 0.747 0.767 0.800 0.600 CB 1.262 16 residues pruned to eliminate duplicates Z: 23 15.761 1.905 0.658 0.625 0.909 0.727 CB 1.041 23 residues pruned to eliminate duplicates Z: 24 12.606 1.778 0.506 0.504 0.957 0.609 CB 1.022 24 residues pruned to eliminate duplicates Z: 49 31.679 1.934 0.869 0.590 0.938 0.750 CB 1.239 49 residues pruned to eliminate duplicates Z: 27 16.594 1.820 0.699 0.594 0.923 0.615 CB 1.042 27 residues pruned to eliminate duplicates Z: 43 21.545 1.956 0.625 0.545 0.833 0.595 CB 1.201 43 residues pruned to eliminate duplicates Z: 46 20.359 1.800 0.616 0.586 0.889 0.689 CB 1.080 46 residues pruned to eliminate duplicates Z: 42 22.991 1.950 0.598 0.531 0.902 0.561 CB 1.237 42 residues pruned to eliminate duplicates Z: 20 8.741 1.752 0.615 0.459 0.789 0.474 CB 0.936 20 residues pruned to eliminate duplicates Z: 42 21.231 1.911 0.711 0.481 0.829 0.585 CB 1.246 42 residues pruned to eliminate duplicates Z: 38 22.844 1.971 0.681 0.525 0.892 0.595 CB 1.239 38 residues pruned to eliminate duplicates Z: 43 23.598 1.940 0.641 0.543 0.881 0.643 CB 1.245 43 residues pruned to eliminate duplicates Z: 49 22.132 1.875 0.597 0.499 0.854 0.562 CB 1.250 49 residues pruned to eliminate duplicates Z: 41 27.650 1.963 0.738 0.571 0.950 0.700 CB 1.259 41 residues pruned to eliminate duplicates Z: 44 24.075 1.945 0.704 0.561 0.884 0.698 CB 1.181 44 residues pruned to eliminate duplicates Z: 40 21.069 1.913 0.659 0.525 0.923 0.667 CB 1.124 40 residues pruned to eliminate duplicates Z: 41 19.751 1.905 0.664 0.481 0.850 0.600 CB 1.182 41 residues pruned to eliminate duplicates Z: 42 22.720 1.931 0.580 0.574 0.927 0.707 CB 1.168 42 residues pruned to eliminate duplicates Z: 33 15.303 1.876 0.524 0.389 0.812 0.438 CB 1.311 33 residues pruned to eliminate duplicates Z: 46 21.532 1.959 0.587 0.536 0.822 0.644 CB 1.212 46 residues pruned to eliminate duplicates Z: 47 25.290 1.880 0.748 0.528 0.870 0.674 CB 1.270 47 residues pruned to eliminate duplicates Z: 55 25.090 1.885 0.679 0.512 0.852 0.574 CB 1.251 55 residues pruned to eliminate duplicates Z: 17 13.821 1.920 0.421 0.589 0.812 0.562 CB 1.431 27 residues pruned to eliminate duplicates Z: 32 17.197 1.982 0.605 0.444 0.871 0.677 CB 1.180 32 residues pruned to eliminate duplicates Z: 28 13.928 1.838 0.529 0.406 0.815 0.370 CB 1.291 28 residues pruned to eliminate duplicates Z: 43 21.866 1.947 0.668 0.526 0.857 0.595 CB 1.180 43 residues pruned to eliminate duplicates Z: 22 17.070 2.059 0.528 0.467 0.857 0.667 CB 1.428 22 residues pruned to eliminate duplicates Z: 53 26.463 1.916 0.714 0.548 0.885 0.712 CB 1.205 53 residues pruned to eliminate duplicates Z: 42 15.349 1.908 0.559 0.394 0.829 0.537 CB 1.087 42 residues pruned to eliminate duplicates Z: 16 20.607 1.838 0.508 0.869 1.000 0.667 CB 1.402 17 residues pruned to eliminate duplicates Z: 15 19.482 1.859 0.424 0.893 1.000 0.857 CB 1.412 15 residues pruned to eliminate duplicates Z: 12 9.312 1.851 0.177 0.531 0.909 0.364 CB 1.375 9 residues pruned to eliminate duplicates Z: 12 16.344 1.893 0.435 0.908 0.909 0.636 CB 1.418 15 residues pruned to eliminate duplicates Z: 10 10.762 1.905 0.523 0.801 0.778 0.556 CB 1.222 10 residues pruned to eliminate duplicates Z: 18 15.876 1.793 0.362 0.809 0.941 0.765 CB 1.281 18 residues pruned to eliminate duplicates Z: 19 12.663 1.822 0.402 0.686 0.833 0.667 CB 1.182 19 residues pruned to eliminate duplicates Z: 43 25.328 1.799 0.712 0.629 0.905 0.714 CB 1.242 43 residues pruned to eliminate duplicates Z: 17 14.559 1.830 0.376 0.790 0.875 0.812 CB 1.281 17 residues pruned to eliminate duplicates Z: 19 13.552 1.791 0.373 0.691 0.833 0.667 CB 1.309 19 residues pruned to eliminate duplicates Z: 21 19.538 1.912 0.721 0.717 0.900 0.650 CB 1.212 21 residues pruned to eliminate duplicates Z: 17 21.231 1.941 0.970 0.836 0.938 0.625 CB 1.108 16 residues pruned to eliminate duplicates Z: 16 22.718 1.985 0.677 0.910 1.000 0.800 CB 1.250 16 residues pruned to eliminate duplicates Z: 25 20.097 1.830 0.613 0.632 0.958 0.625 CB 1.281 25 residues pruned to eliminate duplicates Z: 26 16.969 1.812 0.777 0.587 0.880 0.520 CB 1.102 26 residues pruned to eliminate duplicates Z: 17 22.357 1.905 0.749 0.869 0.938 0.750 CB 1.308 17 residues pruned to eliminate duplicates Z: 17 21.860 1.938 0.835 0.848 0.938 0.875 CB 1.216 17 residues pruned to eliminate duplicates Z: 18 22.325 1.911 0.737 0.810 1.000 0.824 CB 1.245 18 residues pruned to eliminate duplicates Z: 16 25.784 2.001 0.793 0.931 1.000 0.867 CB 1.298 16 residues pruned to eliminate duplicates Z: 24 20.343 1.901 0.680 0.752 0.957 0.696 CB 1.110 24 residues pruned to eliminate duplicates Z: 18 20.323 1.955 0.825 0.824 0.941 0.824 CB 1.109 18 residues pruned to eliminate duplicates Z: 19 17.186 1.908 0.692 0.704 0.889 0.778 CB 1.173 19 residues pruned to eliminate duplicates Z: 37 37.999 1.901 0.912 0.806 1.000 0.722 CB 1.334 36 residues pruned to eliminate duplicates Z: 16 19.612 1.827 0.447 0.916 1.000 1.000 CB 1.354 16 residues pruned to eliminate duplicates Z: 24 18.633 1.857 0.653 0.666 0.913 0.696 CB 1.189 19 residues pruned to eliminate duplicates Z: 15 24.222 1.940 0.634 0.920 1.000 0.929 CB 1.438 15 residues pruned to eliminate duplicates Z: 26 18.610 1.832 0.668 0.632 0.880 0.680 CB 1.222 26 residues pruned to eliminate duplicates Z: 24 18.942 1.854 0.814 0.612 0.913 0.565 CB 1.157 24 residues pruned to eliminate duplicates Z: 38 28.947 1.924 0.753 0.740 0.973 0.811 CB 1.170 38 residues pruned to eliminate duplicates Z: 29 16.900 1.842 0.615 0.593 0.929 0.643 CB 1.058 29 residues pruned to eliminate duplicates Z: 24 19.933 1.914 0.679 0.667 1.000 0.826 CB 1.109 23 residues pruned to eliminate duplicates Z: 15 27.746 1.970 0.838 0.914 1.000 0.786 CB 1.448 15 residues pruned to eliminate duplicates Z: 21 22.719 1.882 0.890 0.662 0.950 0.600 CB 1.294 21 residues pruned to eliminate duplicates Z: 19 23.457 1.897 0.786 0.742 1.000 0.722 CB 1.314 25 residues pruned to eliminate duplicates Z: 14 25.387 1.887 0.839 0.915 1.000 0.846 CB 1.434 14 residues pruned to eliminate duplicates Z: 27 19.488 1.868 0.751 0.639 0.962 0.731 CB 1.066 27 residues pruned to eliminate duplicates Z: 40 32.729 1.926 0.616 0.774 1.000 0.667 CB 1.321 35 residues pruned to eliminate duplicates Z: 17 23.944 1.951 1.032 0.734 0.938 0.688 CB 1.305 17 residues pruned to eliminate duplicates Z: 36 32.893 1.963 0.761 0.718 0.971 0.714 CB 1.359 36 residues pruned to eliminate duplicates Z: 33 37.041 1.947 0.828 0.771 1.000 0.656 CB 1.447 33 residues pruned to eliminate duplicates Z: 38 27.351 1.917 0.732 0.710 0.919 0.757 CB 1.218 38 residues pruned to eliminate duplicates Z: 34 37.060 1.960 0.916 0.809 1.000 0.758 CB 1.312 34 residues pruned to eliminate duplicates Z: 38 34.399 1.954 0.788 0.735 0.973 0.811 CB 1.347 38 residues pruned to eliminate duplicates Z: 16 29.518 1.957 0.856 0.912 1.000 0.867 CB 1.486 16 residues pruned to eliminate duplicates Z: 35 38.286 1.939 0.954 0.806 0.971 0.676 CB 1.367 35 residues pruned to eliminate duplicates Z: 40 34.110 1.916 0.945 0.751 0.974 0.718 CB 1.203 40 residues pruned to eliminate duplicates Z: 47 27.738 1.882 0.815 0.693 0.891 0.652 CB 1.125 47 residues pruned to eliminate duplicates Z: 39 35.014 1.948 0.952 0.781 1.000 0.737 CB 1.166 39 residues pruned to eliminate duplicates Z: 33 36.208 1.973 0.961 0.794 0.969 0.625 CB 1.320 33 residues pruned to eliminate duplicates Z: 34 37.451 1.928 1.035 0.805 0.970 0.606 CB 1.312 34 residues pruned to eliminate duplicates Z: 34 38.393 1.976 0.920 0.794 0.939 0.758 CB 1.449 34 residues pruned to eliminate duplicates Z: 34 39.358 1.968 0.966 0.806 0.970 0.667 CB 1.398 34 residues pruned to eliminate duplicates Z: 34 42.234 1.980 1.011 0.804 1.000 0.758 CB 1.416 35 residues pruned to eliminate duplicates Z: 18 33.779 1.960 1.111 0.939 0.941 0.882 CB 1.462 17 residues pruned to eliminate duplicates Z: 18 32.425 1.831 1.177 0.913 1.000 0.706 CB 1.396 17 residues pruned to eliminate duplicates Z: 17 37.059 1.912 1.244 0.924 1.000 0.625 CB 1.517 17 residues pruned to eliminate duplicates Z: 9 14.412 1.742 0.689 0.893 1.000 1.000 CB 1.243 8 residues pruned to eliminate duplicates Z: 11 12.795 1.664 0.556 0.814 1.000 0.600 CB 1.189 11 residues pruned to eliminate duplicates Z: 9 10.180 1.855 0.448 0.821 0.750 0.750 CB 1.352 9 residues pruned to eliminate duplicates Z: 11 12.736 1.723 0.386 0.737 1.000 0.700 CB 1.363 11 residues pruned to eliminate duplicates Z: 12 9.235 1.668 0.330 0.657 0.818 0.727 CB 1.327 12 residues pruned to eliminate duplicates Z: 13 13.546 1.729 0.614 0.619 0.917 0.583 CB 1.366 13 residues pruned to eliminate duplicates Z: 12 11.223 1.728 0.564 0.679 0.818 0.727 CB 1.298 12 residues pruned to eliminate duplicates Z: 14 11.618 1.680 0.682 0.609 0.769 0.538 CB 1.336 14 residues pruned to eliminate duplicates Z: 8 5.229 1.411 0.296 0.687 0.857 0.429 N 1.063 Z: 6 2.813 1.274 0.521 0.335 1.000 0.600 CA 0.777 6 residues pruned to eliminate duplicates Z: 12 4.668 1.760 0.521 0.191 0.727 0.273 CB 1.046 12 residues pruned to eliminate duplicates Z: 30 17.094 1.892 0.559 0.405 0.897 0.517 CB 1.326 30 residues pruned to eliminate duplicates Z: 37 21.767 1.953 0.609 0.467 0.972 0.583 CB 1.228 37 residues pruned to eliminate duplicates Z: 30 19.358 1.944 0.618 0.456 0.897 0.552 CB 1.334 48 residues pruned to eliminate duplicates Z: 7 3.390 1.558 0.286 0.431 0.667 0.333 CB 1.114 7 residues pruned to eliminate duplicates Z: 29 16.958 1.876 0.653 0.437 0.821 0.500 CB 1.343 29 residues pruned to eliminate duplicates Z: 17 22.226 2.036 0.859 0.604 0.938 0.562 CB 1.418 17 residues pruned to eliminate duplicates Z: 26 18.097 2.012 0.586 0.474 0.880 0.480 CB 1.324 26 residues pruned to eliminate duplicates Z: 22 15.083 1.945 0.377 0.554 0.905 0.619 CB 1.288 22 residues pruned to eliminate duplicates Z: 26 14.156 1.977 0.518 0.456 0.800 0.600 CB 1.233 26 residues pruned to eliminate duplicates Z: 48 19.227 1.855 0.543 0.420 0.809 0.468 CB 1.317 58 residues pruned to eliminate duplicates Z: 9 14.879 1.985 0.457 0.867 1.000 0.625 CB 1.330 9 residues pruned to eliminate duplicates Z: 39 20.104 1.871 0.631 0.478 0.868 0.579 CB 1.257 39 residues pruned to eliminate duplicates Z: 30 19.754 1.951 0.706 0.488 0.897 0.552 CB 1.244 30 residues pruned to eliminate duplicates Z: 20 14.003 1.905 0.696 0.393 0.895 0.632 CB 1.244 20 residues pruned to eliminate duplicates Z: 16 19.123 2.071 0.661 0.632 0.933 0.733 CB 1.358 16 residues pruned to eliminate duplicates Z: 32 20.085 1.897 0.623 0.502 0.903 0.548 CB 1.294 32 residues pruned to eliminate duplicates Z: 26 17.431 2.008 0.719 0.484 0.800 0.440 CB 1.284 26 residues pruned to eliminate duplicates Z: 45 21.057 1.874 0.663 0.455 0.864 0.500 CB 1.234 45 residues pruned to eliminate duplicates Z: 25 20.186 2.040 0.674 0.471 0.917 0.542 CB 1.356 28 residues pruned to eliminate duplicates Z: 7 5.199 1.467 0.612 0.439 0.833 0.333 CB 1.148 7 residues pruned to eliminate duplicates Z: 59 26.177 1.894 0.576 0.510 0.931 0.517 CB 1.225 109 residues pruned to eliminate duplicates Z: 56 24.243 1.889 0.620 0.481 0.873 0.564 CB 1.248 Z: 6 4.133 1.609 0.299 0.167 1.000 0.600 O 1.326 6 residues pruned to eliminate duplicates Z: 26 17.829 1.942 0.694 0.490 0.840 0.680 CB 1.303 26 residues pruned to eliminate duplicates Z: 54 23.181 1.885 0.620 0.422 0.849 0.434 CB 1.332 54 residues pruned to eliminate duplicates Z: 23 21.830 2.018 0.750 0.532 1.000 0.636 CB 1.277 25 residues pruned to eliminate duplicates Z: 11 12.303 1.772 0.558 0.839 0.800 0.700 CB 1.315 11 residues pruned to eliminate duplicates Z: 19 10.518 1.711 0.476 0.595 0.833 0.722 CB 1.075 19 residues pruned to eliminate duplicates Z: 23 13.524 1.742 0.570 0.557 0.955 0.636 CB 1.045 23 residues pruned to eliminate duplicates Z: 11 12.494 1.792 0.633 0.797 0.800 0.700 CB 1.301 11 residues pruned to eliminate duplicates Z: 23 12.234 1.598 0.636 0.536 0.909 0.500 CB 1.059 23 residues pruned to eliminate duplicates Z: 17 10.358 1.736 0.645 0.574 0.875 0.562 CB 0.965 17 residues pruned to eliminate duplicates Z: 25 11.649 1.774 0.514 0.528 0.750 0.542 CB 1.148 25 residues pruned to eliminate duplicates Z: 17 13.795 1.582 0.889 0.622 0.812 0.500 CB 1.266 17 residues pruned to eliminate duplicates Z: 23 15.310 1.709 0.641 0.577 0.909 0.409 CB 1.189 24 residues pruned to eliminate duplicates Z: 8 16.222 1.822 0.639 0.762 1.000 0.429 CB 1.627 8 residues pruned to eliminate duplicates Z: 30 16.541 1.705 0.719 0.568 0.931 0.690 CB 1.054 36 residues pruned to eliminate duplicates Z: 8 9.026 1.839 0.497 0.710 0.714 0.429 CB 1.434 8 residues pruned to eliminate duplicates Z: 9 13.269 1.737 0.986 0.633 0.875 0.500 CB 1.371 9 residues pruned to eliminate duplicates Z: 9 15.433 1.714 1.042 0.676 0.875 0.375 O 1.515 9 residues pruned to eliminate duplicates Z: 20 29.610 1.842 0.865 0.854 1.000 0.842 CB 1.460 20 residues pruned to eliminate duplicates Z: 32 31.094 1.938 0.728 0.780 0.968 0.774 CB 1.345 32 residues pruned to eliminate duplicates Z: 36 36.494 1.915 0.795 0.792 0.971 0.829 CB 1.430 36 residues pruned to eliminate duplicates Z: 37 39.091 1.901 0.920 0.814 1.000 0.833 CB 1.358 37 residues pruned to eliminate duplicates Z: 19 30.844 1.852 0.923 0.906 1.000 0.722 CB 1.452 19 residues pruned to eliminate duplicates Z: 38 34.417 1.859 0.799 0.789 0.973 0.784 CB 1.349 38 residues pruned to eliminate duplicates Z: 11 21.232 1.934 0.936 0.803 0.900 0.900 CB 1.530 11 residues pruned to eliminate duplicates Z: 36 37.625 1.910 0.881 0.797 0.971 0.800 CB 1.405 36 residues pruned to eliminate duplicates Z: 36 41.588 1.919 1.000 0.830 1.000 0.771 CB 1.376 37 residues pruned to eliminate duplicates Z: 19 33.107 1.844 1.026 0.922 1.000 0.889 CB 1.469 19 residues pruned to eliminate duplicates Z: 34 34.174 1.891 0.761 0.773 0.970 0.727 CB 1.448 34 residues pruned to eliminate duplicates Z: 21 21.821 1.819 0.971 0.757 0.900 0.650 CB 1.203 21 residues pruned to eliminate duplicates Z: 16 29.978 1.839 1.124 0.848 1.000 0.600 CB 1.470 16 residues pruned to eliminate duplicates Z: 18 27.848 1.825 1.015 0.807 1.000 0.647 CB 1.406 18 residues pruned to eliminate duplicates Z: 16 23.613 1.809 1.015 0.880 1.000 0.733 CB 1.213 16 residues pruned to eliminate duplicates Z: 15 26.083 1.879 1.085 0.914 1.000 0.857 CB 1.259 15 residues pruned to eliminate duplicates Z: 15 28.470 1.847 1.066 0.883 1.000 0.857 CB 1.441 15 residues pruned to eliminate duplicates Z: 8 5.703 1.664 0.317 0.458 0.857 0.857 CB 1.198 8 residues pruned to eliminate duplicates Z: 11 8.040 1.615 0.523 0.399 0.900 0.700 CB 1.278 11 residues pruned to eliminate duplicates Z: 15 6.250 1.532 0.707 0.269 0.786 0.500 CB 1.058 15 residues pruned to eliminate duplicates Z: 14 10.773 1.643 0.556 0.482 1.000 0.538 CB 1.190 14 residues pruned to eliminate duplicates Z: 17 12.134 1.628 0.707 0.464 0.875 0.625 CB 1.295 17 residues pruned to eliminate duplicates Z: 10 6.697 1.676 0.848 0.425 0.778 0.333 CB 1.002 10 residues pruned to eliminate duplicates Z: 13 10.332 1.692 0.499 0.532 1.000 0.500 CB 1.139 13 residues pruned to eliminate duplicates Z: 13 12.134 1.746 0.764 0.514 1.000 0.750 CB 1.122 13 residues pruned to eliminate duplicates Z: 12 7.971 1.630 0.392 0.578 0.909 0.545 CB 1.080 12 residues pruned to eliminate duplicates Z: 21 9.718 1.692 0.378 0.470 0.900 0.550 CB 1.068 21 residues pruned to eliminate duplicates Z: 21 13.378 1.681 0.482 0.553 1.000 0.650 CB 1.140 21 residues pruned to eliminate duplicates Z: 6 3.769 1.358 0.618 0.415 0.800 0.600 CA 1.048 6 residues pruned to eliminate duplicates Z: 11 4.014 1.617 0.533 0.414 0.800 0.600 CB 0.700 11 residues pruned to eliminate duplicates Z: 7 4.779 1.608 0.849 0.393 0.667 0.333 CB 1.102 7 residues pruned to eliminate duplicates Z: 31 26.692 2.037 0.451 0.757 0.933 0.700 CB 1.406 31 residues pruned to eliminate duplicates Z: 31 26.703 2.064 0.446 0.747 0.933 0.633 CB 1.404 31 residues pruned to eliminate duplicates Z: 50 34.970 1.967 0.651 0.702 0.980 0.694 CB 1.306 50 residues pruned to eliminate duplicates Z: 29 30.096 2.107 0.561 0.787 0.964 0.643 CB 1.393 29 residues pruned to eliminate duplicates Z: 47 37.841 2.009 0.636 0.741 0.978 0.739 CB 1.399 47 residues pruned to eliminate duplicates Z: 31 28.698 2.094 0.442 0.734 1.000 0.700 CB 1.407 31 residues pruned to eliminate duplicates Z: 29 32.101 2.063 0.584 0.767 0.929 0.679 CB 1.579 29 residues pruned to eliminate duplicates Z: 60 39.275 1.973 0.671 0.724 0.966 0.797 CB 1.312 60 residues pruned to eliminate duplicates Z: 46 37.442 2.013 0.723 0.758 0.933 0.800 CB 1.371 46 residues pruned to eliminate duplicates Z: 47 34.314 1.986 0.682 0.672 0.957 0.717 CB 1.352 47 residues pruned to eliminate duplicates Z: 34 27.115 2.012 0.502 0.686 0.970 0.818 CB 1.358 34 residues pruned to eliminate duplicates Z: 44 28.950 1.956 0.590 0.657 0.953 0.721 CB 1.286 44 residues pruned to eliminate duplicates Z: 44 34.706 2.014 0.581 0.753 0.953 0.791 CB 1.392 44 residues pruned to eliminate duplicates Z: 44 33.935 1.994 0.640 0.719 0.953 0.674 CB 1.362 44 residues pruned to eliminate duplicates Z: 30 29.411 2.084 0.472 0.785 0.966 0.655 CB 1.436 30 residues pruned to eliminate duplicates Z: 39 31.662 2.008 0.505 0.680 0.947 0.711 CB 1.520 39 residues pruned to eliminate duplicates Z: 34 29.668 2.034 0.489 0.680 1.000 0.727 CB 1.444 34 residues pruned to eliminate duplicates Z: 42 31.592 1.979 0.549 0.718 0.976 0.732 CB 1.354 42 residues pruned to eliminate duplicates Z: 34 28.955 2.029 0.505 0.712 0.939 0.667 CB 1.450 34 residues pruned to eliminate duplicates Z: 35 28.693 2.007 0.470 0.685 0.971 0.706 CB 1.450 35 residues pruned to eliminate duplicates Z: 26 30.685 2.133 0.606 0.730 0.960 0.720 CB 1.517 26 residues pruned to eliminate duplicates Z: 44 26.063 1.929 0.527 0.657 0.884 0.791 CB 1.319 44 residues pruned to eliminate duplicates Z: 58 41.822 2.007 0.640 0.738 0.982 0.754 CB 1.384 58 residues pruned to eliminate duplicates Z: 30 29.724 2.043 0.513 0.754 1.000 0.690 CB 1.424 30 residues pruned to eliminate duplicates Z: 61 39.057 1.954 0.708 0.715 0.967 0.700 CB 1.286 61 residues pruned to eliminate duplicates Z: 47 38.669 2.008 0.774 0.765 0.978 0.696 CB 1.293 47 residues pruned to eliminate duplicates Z: 60 40.081 1.923 0.788 0.720 0.966 0.661 CB 1.288 60 residues pruned to eliminate duplicates Z: 42 29.800 1.968 0.584 0.693 0.902 0.707 CB 1.387 42 residues pruned to eliminate duplicates Z: 43 35.340 1.998 0.636 0.741 0.976 0.667 CB 1.378 43 residues pruned to eliminate duplicates Z: 61 43.995 1.966 0.715 0.731 1.000 0.783 CB 1.368 61 residues pruned to eliminate duplicates Z: 49 34.690 1.986 0.598 0.704 0.958 0.604 CB 1.367 49 residues pruned to eliminate duplicates Z: 63 30.409 1.864 0.505 0.685 0.935 0.726 CB 1.242 63 residues pruned to eliminate duplicates Z: 57 35.253 1.943 0.612 0.689 0.911 0.804 CB 1.389 57 residues pruned to eliminate duplicates Z: 57 36.464 1.950 0.592 0.682 0.946 0.804 CB 1.403 57 residues pruned to eliminate duplicates Z: 45 33.721 1.976 0.583 0.714 0.955 0.727 CB 1.403 45 residues pruned to eliminate duplicates Z: 62 42.251 1.950 0.804 0.700 0.967 0.803 CB 1.324 62 residues pruned to eliminate duplicates Z: 48 33.391 1.973 0.589 0.655 0.957 0.723 CB 1.405 48 residues pruned to eliminate duplicates Z: 44 34.518 2.020 0.558 0.722 0.977 0.674 CB 1.401 44 residues pruned to eliminate duplicates Z: 61 43.178 1.971 0.730 0.727 0.983 0.833 CB 1.355 61 residues pruned to eliminate duplicates Z: 64 38.719 1.926 0.637 0.686 0.968 0.778 CB 1.347 63 residues pruned to eliminate duplicates Z: 15 17.533 1.816 0.655 0.796 0.929 0.643 CB 1.295 15 residues pruned to eliminate duplicates Z: 60 35.589 1.914 0.658 0.682 0.949 0.712 CB 1.301 60 residues pruned to eliminate duplicates Z: 65 43.208 1.957 0.791 0.707 0.969 0.766 CB 1.318 65 residues pruned to eliminate duplicates Z: 63 37.481 1.912 0.620 0.683 0.952 0.645 CB 1.365 63 residues pruned to eliminate duplicates Z: 6 3.405 1.690 0.730 0.361 0.600 0.400 CB 1.008 Z: 15 13.801 1.631 0.439 0.858 1.000 0.786 CB 1.157 15 residues pruned to eliminate duplicates Z: 16 14.819 1.707 0.522 0.791 1.000 0.733 CB 1.141 16 residues pruned to eliminate duplicates Z: 14 14.096 1.692 0.598 0.863 0.923 0.615 CB 1.149 14 residues pruned to eliminate duplicates Z: 16 13.794 1.654 0.480 0.800 0.933 0.733 CB 1.200 16 residues pruned to eliminate duplicates Z: 18 11.934 1.653 0.503 0.764 0.882 0.647 CB 1.045 18 residues pruned to eliminate duplicates Z: 17 15.719 1.680 0.693 0.832 0.938 0.812 CB 1.106 17 residues pruned to eliminate duplicates Z: 17 11.186 1.653 0.523 0.707 0.875 0.688 CB 1.052 17 residues pruned to eliminate duplicates Z: 29 18.185 1.690 0.609 0.720 0.964 0.643 CB 1.073 32 residues pruned to eliminate duplicates Z: 14 11.096 1.720 0.645 0.832 0.769 0.615 CB 1.062 14 residues pruned to eliminate duplicates Z: 17 14.198 1.681 0.687 0.778 0.938 0.625 CB 1.045 17 residues pruned to eliminate duplicates Z: 15 14.146 1.736 0.718 0.873 0.857 0.786 CB 1.077 15 residues pruned to eliminate duplicates Z: 19 12.657 1.649 0.683 0.766 0.833 0.500 CB 1.019 19 residues pruned to eliminate duplicates Z: 15 16.168 1.727 0.740 0.874 0.929 0.714 CB 1.127 15 residues pruned to eliminate duplicates Z: 13 12.977 1.663 0.596 0.845 1.000 0.833 CB 1.049 13 residues pruned to eliminate duplicates Z: 15 15.272 1.692 0.709 0.841 0.929 0.714 CB 1.134 15 residues pruned to eliminate duplicates Z: 21 23.546 2.004 0.488 0.811 0.950 0.800 CB 1.418 21 residues pruned to eliminate duplicates Z: 18 20.382 2.036 0.337 0.837 0.941 0.765 CB 1.444 18 residues pruned to eliminate duplicates Z: 22 26.017 1.936 0.475 0.824 1.000 0.714 CB 1.502 22 residues pruned to eliminate duplicates Z: 18 26.066 2.066 0.447 0.808 1.000 0.588 CB 1.616 18 residues pruned to eliminate duplicates Z: 25 23.337 1.877 0.645 0.730 0.917 0.750 CB 1.368 27 residues pruned to eliminate duplicates Z: 25 29.160 1.911 0.576 0.907 1.000 0.833 CB 1.404 25 residues pruned to eliminate duplicates Z: 19 26.748 2.004 0.537 0.898 1.000 0.778 CB 1.465 19 residues pruned to eliminate duplicates Z: 26 21.691 1.868 0.498 0.725 0.920 0.560 CB 1.376 26 residues pruned to eliminate duplicates Z: 20 20.140 1.903 0.696 0.847 0.895 0.632 CB 1.187 20 residues pruned to eliminate duplicates Z: 23 19.020 1.912 0.484 0.723 0.955 0.364 CB 1.224 19 residues pruned to eliminate duplicates Z: 24 28.386 1.919 0.614 0.888 1.000 0.696 CB 1.377 24 residues pruned to eliminate duplicates Z: 16 24.530 2.102 0.555 0.797 0.933 0.800 CB 1.601 16 residues pruned to eliminate duplicates Z: 22 23.225 1.950 0.450 0.826 0.905 0.524 CB 1.493 22 residues pruned to eliminate duplicates Z: 24 22.825 1.958 0.517 0.810 0.913 0.522 CB 1.339 24 residues pruned to eliminate duplicates Z: 26 23.456 1.942 0.578 0.771 0.920 0.640 CB 1.310 26 residues pruned to eliminate duplicates Z: 36 28.777 1.975 0.654 0.674 0.914 0.571 CB 1.387 40 residues pruned to eliminate duplicates Z: 22 28.363 1.978 0.582 0.885 0.952 0.714 CB 1.499 22 residues pruned to eliminate duplicates Z: 24 25.611 1.936 0.523 0.762 0.957 0.652 CB 1.499 24 residues pruned to eliminate duplicates Z: 23 32.083 2.003 0.576 0.898 1.000 0.864 CB 1.550 23 residues pruned to eliminate duplicates Z: 47 36.019 1.933 0.741 0.734 0.957 0.565 CB 1.338 41 residues pruned to eliminate duplicates Z: 27 22.889 1.850 0.633 0.801 0.923 0.538 CB 1.237 27 residues pruned to eliminate duplicates Z: 23 27.168 1.952 0.703 0.855 0.955 0.727 CB 1.347 23 residues pruned to eliminate duplicates 451 residues left after pruning, divided into chains as follows: A: 8 B: 6 C: 8 D: 8 E: 15 F: 6 G: 12 H: 16 I: 35 J: 52 K: 73 L: 36 M: 29 N: 64 O: 48 P: 35 CC for partial structure against native data = 44.56 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.299, Contrast = 0.511, Connect. = 0.724 for dens.mod. cycle 1 = 0.299, Contrast = 0.582, Connect. = 0.749 for dens.mod. cycle 2 = 0.299, Contrast = 0.683, Connect. = 0.772 for dens.mod. cycle 3 = 0.299, Contrast = 0.693, Connect. = 0.772 for dens.mod. cycle 4 = 0.299, Contrast = 0.700, Connect. = 0.773 for dens.mod. cycle 5 = 0.299, Contrast = 0.702, Connect. = 0.774 for dens.mod. cycle 6 = 0.299, Contrast = 0.704, Connect. = 0.775 for dens.mod. cycle 7 = 0.299, Contrast = 0.703, Connect. = 0.776 for dens.mod. cycle 8 = 0.299, Contrast = 0.703, Connect. = 0.777 for dens.mod. cycle 9 = 0.299, Contrast = 0.702, Connect. = 0.777 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1748 peaks > 0.5 sigma used to seed fragment search Space for about 738 unique residues taking solvent into account 455 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 25.655 1.960 0.909 0.906 1.000 0.727 CB 1.470 B: 16 27.622 2.001 0.785 0.903 0.933 0.733 CB 1.524 C: 27 36.558 2.097 0.836 0.862 0.923 0.769 CB 1.481 D: 27 29.202 2.097 0.417 0.822 0.962 0.769 CB 1.516 27 residues pruned to eliminate duplicates E: 26 19.481 1.849 0.532 0.790 0.960 0.640 CB 1.111 F: 16 29.167 1.972 0.970 0.891 0.933 0.667 CB 1.493 16 residues pruned to eliminate duplicates G: 16 32.310 1.956 0.900 0.915 0.933 0.867 N 1.700 16 residues pruned to eliminate duplicates H: 16 26.298 1.843 0.986 0.858 1.000 0.800 CB 1.367 16 residues pruned to eliminate duplicates I: 26 35.848 2.111 0.773 0.875 0.960 0.720 CB 1.451 26 residues pruned to eliminate duplicates J: 8 2.069 2.051 0.104 0.254 0.571 0.571 CB 0.802 K: 17 21.130 1.905 0.561 0.927 1.000 0.875 CB 1.245 L: 18 19.703 1.800 0.730 0.908 1.000 0.824 CB 1.090 M: 27 32.499 2.110 0.676 0.865 0.962 0.692 CB 1.373 27 residues pruned to eliminate duplicates N: 17 28.701 1.902 1.002 0.893 0.938 0.688 N 1.443 16 residues pruned to eliminate duplicates O: 7 15.996 2.088 0.586 0.870 1.000 1.000 CB 1.440 P: 15 23.005 1.833 0.781 0.878 1.000 0.929 CB 1.367 14 residues pruned to eliminate duplicates Q: 27 32.640 2.117 0.565 0.870 0.962 0.846 CB 1.468 27 residues pruned to eliminate duplicates R: 18 24.180 1.721 0.921 0.872 1.000 0.765 CB 1.293 S: 16 27.209 1.984 0.750 0.871 0.933 0.667 CB 1.582 16 residues pruned to eliminate duplicates T: 19 25.177 1.831 0.741 0.934 1.000 1.000 CB 1.297 17 residues pruned to eliminate duplicates U: 17 22.588 1.902 0.421 0.892 0.938 0.750 CA 1.602 17 residues pruned to eliminate duplicates V: 27 29.264 2.099 0.325 0.847 1.000 0.808 CB 1.532 27 residues pruned to eliminate duplicates W: 18 28.867 1.921 0.896 0.926 1.000 0.882 CB 1.348 19 residues pruned to eliminate duplicates X: 26 35.490 2.112 0.664 0.873 1.000 0.880 CB 1.471 26 residues pruned to eliminate duplicates Y: 29 30.978 2.039 0.594 0.824 0.964 0.750 CB 1.411 28 residues pruned to eliminate duplicates Z: 16 25.976 1.929 0.759 0.875 1.000 0.733 CB 1.438 18 residues pruned to eliminate duplicates Z: 13 27.422 2.026 1.065 0.937 1.000 0.833 CB 1.317 Z: 17 31.530 1.866 1.180 0.892 0.938 0.688 N 1.485 17 residues pruned to eliminate duplicates Z: 12 20.126 2.046 0.675 0.834 0.909 0.909 CB 1.460 12 residues pruned to eliminate duplicates Z: 17 24.492 1.769 0.881 0.867 1.000 0.750 CB 1.346 Z: 26 31.849 2.061 0.842 0.841 1.000 0.680 CB 1.251 26 residues pruned to eliminate duplicates Z: 27 20.568 1.826 0.557 0.854 0.962 0.769 CB 1.090 27 residues pruned to eliminate duplicates Z: 31 16.865 1.940 0.467 0.467 0.867 0.533 CB 1.291 8 residues pruned to eliminate duplicates Z: 15 23.925 1.892 0.884 0.908 0.929 0.786 CB 1.372 14 residues pruned to eliminate duplicates Z: 20 30.826 1.790 1.056 0.903 1.000 0.684 CB 1.370 17 residues pruned to eliminate duplicates Z: 10 17.519 1.910 0.669 0.803 1.000 0.667 CB 1.406 10 residues pruned to eliminate duplicates Z: 25 33.509 2.024 0.795 0.860 0.958 0.750 CB 1.444 25 residues pruned to eliminate duplicates Z: 9 11.387 1.736 0.350 0.842 1.000 0.875 CB 1.281 Z: 28 34.614 2.087 0.654 0.828 1.000 0.778 CB 1.452 28 residues pruned to eliminate duplicates Z: 9 10.828 1.799 0.347 0.863 0.875 0.625 CB 1.324 Z: 9 15.088 2.007 0.625 0.845 0.875 0.750 CB 1.389 Z: 9 14.884 2.045 0.385 0.875 1.000 0.625 CB 1.352 7 residues pruned to eliminate duplicates Z: 18 31.853 1.904 1.089 0.928 1.000 0.765 CB 1.360 18 residues pruned to eliminate duplicates Z: 20 30.395 1.795 1.128 0.895 1.000 0.632 CB 1.309 20 residues pruned to eliminate duplicates Z: 15 26.492 1.870 0.949 0.928 1.000 0.786 CB 1.360 15 residues pruned to eliminate duplicates Z: 14 31.498 1.908 1.203 0.896 1.000 0.846 CA 1.489 14 residues pruned to eliminate duplicates Z: 24 11.504 1.654 0.670 0.499 0.739 0.609 CB 1.177 19 residues pruned to eliminate duplicates Z: 11 16.193 1.842 0.557 0.902 1.000 1.000 CB 1.273 Z: 18 20.575 1.789 0.708 0.920 1.000 0.882 CB 1.150 18 residues pruned to eliminate duplicates Z: 10 17.290 1.927 1.014 0.868 0.889 0.778 CB 1.222 9 residues pruned to eliminate duplicates Z: 20 29.365 1.797 1.020 0.888 0.947 0.737 CB 1.411 20 residues pruned to eliminate duplicates Z: 9 14.771 1.982 0.334 0.876 1.000 0.750 CB 1.435 8 residues pruned to eliminate duplicates Z: 27 33.752 2.108 0.668 0.863 0.962 0.731 CB 1.436 27 residues pruned to eliminate duplicates Z: 23 15.309 1.789 0.888 0.477 0.955 0.545 CB 1.036 Z: 8 9.639 2.011 0.212 0.896 0.857 0.714 CB 1.249 8 residues pruned to eliminate duplicates Z: 9 11.789 1.831 0.650 0.768 1.000 0.625 CB 1.089 8 residues pruned to eliminate duplicates Z: 6 7.403 1.703 0.498 0.703 0.800 0.400 N 1.348 Z: 18 26.367 1.859 0.749 0.907 1.000 0.882 CB 1.398 18 residues pruned to eliminate duplicates Z: 19 20.392 1.759 0.700 0.862 1.000 0.778 CB 1.180 19 residues pruned to eliminate duplicates Z: 23 21.879 1.911 0.581 0.859 0.955 0.864 CB 1.190 23 residues pruned to eliminate duplicates Z: 16 20.576 1.739 0.986 0.836 1.000 0.867 CB 1.151 16 residues pruned to eliminate duplicates Z: 17 16.018 1.981 0.308 0.876 0.938 0.750 CB 1.199 17 residues pruned to eliminate duplicates Z: 17 23.568 1.913 0.648 0.918 1.000 0.938 CB 1.319 17 residues pruned to eliminate duplicates Z: 6 4.039 1.728 0.156 0.693 0.800 0.400 CB 0.947 Z: 26 35.874 2.094 0.815 0.906 1.000 0.680 CB 1.343 26 residues pruned to eliminate duplicates Z: 13 16.438 1.814 0.700 0.874 0.917 0.583 CB 1.222 11 residues pruned to eliminate duplicates Z: 12 18.681 1.878 0.530 0.875 1.000 0.818 CB 1.426 13 residues pruned to eliminate duplicates Z: 8 20.320 2.008 0.974 0.867 1.000 0.714 CB 1.417 14 residues pruned to eliminate duplicates Z: 13 20.127 1.816 0.583 0.886 1.000 0.750 CB 1.458 13 residues pruned to eliminate duplicates Z: 15 29.078 1.939 1.167 0.933 1.000 0.714 CB 1.291 13 residues pruned to eliminate duplicates Z: 11 16.083 1.768 0.544 0.868 1.000 0.700 CB 1.362 Z: 18 23.692 1.842 0.682 0.890 1.000 0.706 CB 1.335 18 residues pruned to eliminate duplicates Z: 19 15.063 1.793 0.668 0.632 0.833 0.556 CB 1.258 11 residues pruned to eliminate duplicates Z: 11 17.015 1.832 0.507 0.927 1.000 0.900 CA 1.367 11 residues pruned to eliminate duplicates Z: 11 13.858 1.860 0.608 0.878 1.000 0.800 CB 1.063 11 residues pruned to eliminate duplicates Z: 24 9.083 1.853 0.407 0.359 0.739 0.522 CB 1.145 17 residues pruned to eliminate duplicates Z: 17 22.156 1.693 1.056 0.931 1.000 0.750 CB 1.112 17 residues pruned to eliminate duplicates Z: 25 16.808 2.029 0.522 0.517 0.875 0.583 CB 1.248 25 residues pruned to eliminate duplicates Z: 16 14.959 1.783 0.370 0.815 1.000 0.600 CB 1.203 12 residues pruned to eliminate duplicates Z: 12 18.109 1.849 0.588 0.880 1.000 0.818 CB 1.347 12 residues pruned to eliminate duplicates Z: 19 27.383 1.796 1.062 0.865 1.000 0.778 CB 1.276 19 residues pruned to eliminate duplicates Z: 26 35.672 2.152 0.649 0.889 0.960 0.840 CB 1.509 26 residues pruned to eliminate duplicates Z: 14 26.155 1.997 0.750 0.928 1.000 0.846 CB 1.454 15 residues pruned to eliminate duplicates Z: 8 10.777 1.798 0.756 0.866 0.857 0.857 CB 1.102 8 residues pruned to eliminate duplicates Z: 17 24.953 1.884 0.929 0.929 1.000 0.688 CB 1.201 18 residues pruned to eliminate duplicates Z: 9 13.667 1.966 0.437 0.905 1.000 0.750 CB 1.218 9 residues pruned to eliminate duplicates Z: 15 15.542 1.824 0.374 0.901 1.000 0.857 CB 1.183 16 residues pruned to eliminate duplicates Z: 15 23.388 1.897 0.710 0.909 1.000 0.714 CB 1.368 15 residues pruned to eliminate duplicates Z: 18 31.201 1.892 1.140 0.927 1.000 0.765 CB 1.309 18 residues pruned to eliminate duplicates Z: 6 8.978 1.625 0.721 0.775 1.000 0.400 CB 1.126 Z: 9 19.636 1.980 0.924 0.883 1.000 0.875 CB 1.318 8 residues pruned to eliminate duplicates Z: 7 12.016 1.862 0.589 0.892 0.833 0.667 CB 1.429 7 residues pruned to eliminate duplicates Z: 16 27.029 1.811 0.977 0.893 1.000 0.933 CB 1.399 16 residues pruned to eliminate duplicates Z: 8 4.981 1.473 0.423 0.511 0.857 0.286 N 1.037 Z: 27 34.571 2.107 0.706 0.869 0.962 0.846 CB 1.433 27 residues pruned to eliminate duplicates Z: 21 23.427 1.927 0.856 0.752 0.950 0.800 CB 1.232 21 residues pruned to eliminate duplicates Z: 14 9.777 1.693 1.072 0.421 0.692 0.462 CB 1.212 10 residues pruned to eliminate duplicates Z: 13 11.755 1.918 0.847 0.415 0.750 0.583 CB 1.395 Z: 40 21.232 1.892 0.716 0.510 0.872 0.513 CB 1.190 33 residues pruned to eliminate duplicates Z: 14 22.298 1.846 0.984 0.909 1.000 0.923 CB 1.198 14 residues pruned to eliminate duplicates Z: 11 13.733 1.747 0.559 0.839 1.000 0.700 CB 1.190 Z: 7 7.175 1.720 0.841 0.714 0.833 0.667 CB 0.914 Z: 25 20.698 2.016 0.707 0.514 0.875 0.667 CB 1.384 24 residues pruned to eliminate duplicates Z: 17 30.998 1.917 1.180 0.952 1.000 0.812 CB 1.277 17 residues pruned to eliminate duplicates Z: 16 13.576 1.788 0.459 0.847 0.867 0.667 CB 1.152 11 residues pruned to eliminate duplicates Z: 9 7.601 1.675 0.861 0.493 0.875 0.625 CB 0.993 Z: 19 18.482 1.801 0.516 0.797 0.944 0.667 CB 1.303 17 residues pruned to eliminate duplicates Z: 13 23.174 1.829 0.780 0.911 1.000 0.833 CB 1.457 11 residues pruned to eliminate duplicates Z: 16 28.284 1.979 0.649 0.921 0.933 0.733 N 1.689 16 residues pruned to eliminate duplicates Z: 9 9.488 1.912 0.798 0.590 0.750 0.500 CB 1.193 8 residues pruned to eliminate duplicates Z: 16 22.949 1.976 0.704 0.919 1.000 0.933 CB 1.239 16 residues pruned to eliminate duplicates Z: 11 19.336 1.925 0.604 0.883 1.000 0.700 CB 1.432 11 residues pruned to eliminate duplicates Z: 8 15.420 2.013 0.446 0.860 1.000 0.857 CB 1.473 8 residues pruned to eliminate duplicates Z: 16 23.331 1.830 0.581 0.897 1.000 1.000 CA 1.491 16 residues pruned to eliminate duplicates Z: 16 14.887 1.765 0.524 0.854 0.867 0.600 CB 1.218 16 residues pruned to eliminate duplicates Z: 8 15.037 2.065 0.615 0.877 1.000 0.714 CB 1.237 8 residues pruned to eliminate duplicates Z: 11 9.896 1.520 0.472 0.810 1.000 0.800 CB 1.068 11 residues pruned to eliminate duplicates Z: 24 16.189 1.832 0.556 0.770 0.870 0.609 CB 1.073 24 residues pruned to eliminate duplicates Z: 13 19.979 1.784 1.072 0.896 1.000 0.500 CB 1.118 13 residues pruned to eliminate duplicates Z: 8 11.498 2.111 0.333 0.886 1.000 1.000 CB 1.115 8 residues pruned to eliminate duplicates Z: 27 36.513 2.090 0.660 0.879 1.000 0.731 CB 1.496 27 residues pruned to eliminate duplicates Z: 15 17.264 1.745 0.846 0.874 0.929 0.857 CB 1.122 Z: 11 8.286 1.813 0.620 0.523 0.900 0.800 CB 0.969 11 residues pruned to eliminate duplicates Z: 9 10.478 1.580 0.548 0.780 0.875 0.625 O 1.352 9 residues pruned to eliminate duplicates Z: 10 7.116 1.698 0.502 0.395 0.778 0.556 CB 1.336 10 residues pruned to eliminate duplicates Z: 15 16.385 1.760 0.679 0.842 0.929 0.571 CB 1.189 15 residues pruned to eliminate duplicates Z: 45 19.331 1.835 0.636 0.440 0.864 0.500 CB 1.196 45 residues pruned to eliminate duplicates Z: 17 22.533 1.900 0.695 0.888 1.000 0.812 CB 1.261 17 residues pruned to eliminate duplicates Z: 54 26.128 1.882 0.680 0.484 0.906 0.491 CB 1.275 53 residues pruned to eliminate duplicates Z: 6 2.815 1.556 0.209 0.389 1.000 0.600 CB 0.753 Z: 18 34.568 1.858 1.232 0.929 1.000 0.824 CB 1.415 17 residues pruned to eliminate duplicates Z: 14 23.643 2.000 0.731 0.916 0.923 0.846 CB 1.449 14 residues pruned to eliminate duplicates Z: 25 23.897 1.873 0.483 0.887 1.000 0.708 CB 1.267 26 residues pruned to eliminate duplicates Z: 10 17.041 1.911 0.796 0.861 1.000 0.778 CB 1.216 10 residues pruned to eliminate duplicates Z: 16 25.755 1.929 0.885 0.912 1.000 0.867 CB 1.295 16 residues pruned to eliminate duplicates Z: 13 16.737 1.765 0.902 0.849 0.917 0.833 CB 1.164 13 residues pruned to eliminate duplicates Z: 28 37.350 2.044 0.856 0.876 1.000 0.667 CB 1.377 28 residues pruned to eliminate duplicates Z: 25 20.378 1.877 0.371 0.860 0.958 0.750 CB 1.240 24 residues pruned to eliminate duplicates Z: 15 30.115 1.943 1.048 0.890 1.000 0.714 CB 1.455 15 residues pruned to eliminate duplicates Z: 27 36.745 2.099 0.823 0.864 1.000 0.615 CB 1.380 27 residues pruned to eliminate duplicates Z: 20 26.230 1.774 0.843 0.852 1.000 0.737 CB 1.361 20 residues pruned to eliminate duplicates Z: 16 24.493 1.952 0.438 0.904 1.000 0.933 CB 1.605 16 residues pruned to eliminate duplicates Z: 26 17.163 1.885 0.553 0.497 0.920 0.600 CB 1.278 26 residues pruned to eliminate duplicates Z: 13 11.935 1.910 0.593 0.487 0.917 0.667 CB 1.251 14 residues pruned to eliminate duplicates Z: 7 6.899 1.691 0.788 0.766 0.833 0.667 CB 0.883 Z: 9 6.005 1.612 0.319 0.389 0.875 0.500 CB 1.284 14 residues pruned to eliminate duplicates Z: 8 4.709 1.886 0.824 0.490 0.571 0.571 CB 0.915 8 residues pruned to eliminate duplicates Z: 18 13.057 1.751 0.506 0.822 0.824 0.471 CB 1.103 25 residues pruned to eliminate duplicates Z: 17 8.246 1.544 0.487 0.384 0.875 0.438 CB 1.161 Z: 14 16.883 1.787 0.355 0.908 1.000 0.923 CB 1.374 12 residues pruned to eliminate duplicates Z: 55 21.438 1.886 0.464 0.499 0.833 0.500 CB 1.270 55 residues pruned to eliminate duplicates Z: 19 14.103 1.747 0.368 0.854 1.000 0.944 CB 1.027 19 residues pruned to eliminate duplicates Z: 38 22.128 1.898 0.572 0.489 0.973 0.486 CB 1.268 38 residues pruned to eliminate duplicates Z: 48 23.714 1.907 0.717 0.510 0.872 0.489 CB 1.199 45 residues pruned to eliminate duplicates Z: 28 16.226 1.953 0.417 0.478 0.852 0.444 CB 1.354 27 residues pruned to eliminate duplicates Z: 15 14.003 1.821 0.388 0.853 0.857 0.500 CB 1.277 15 residues pruned to eliminate duplicates Z: 17 22.199 1.833 0.563 0.887 1.000 0.812 CB 1.397 17 residues pruned to eliminate duplicates Z: 14 22.892 1.817 0.849 0.888 1.000 0.846 CB 1.362 14 residues pruned to eliminate duplicates Z: 19 25.926 1.844 0.935 0.874 0.944 0.722 CB 1.319 19 residues pruned to eliminate duplicates Z: 15 15.449 1.725 0.375 0.910 1.000 1.000 CB 1.235 15 residues pruned to eliminate duplicates Z: 16 21.977 1.906 0.775 0.911 0.933 0.733 CB 1.274 16 residues pruned to eliminate duplicates Z: 19 14.649 1.798 0.439 0.709 0.889 0.556 CB 1.243 19 residues pruned to eliminate duplicates Z: 6 7.096 1.966 0.519 0.421 0.800 0.400 N 1.442 6 residues pruned to eliminate duplicates Z: 15 29.774 1.944 0.964 0.924 1.000 0.929 CB 1.464 15 residues pruned to eliminate duplicates Z: 14 21.634 1.946 0.654 0.887 1.000 0.846 CB 1.344 14 residues pruned to eliminate duplicates Z: 26 15.979 1.939 0.497 0.431 0.840 0.520 CB 1.408 26 residues pruned to eliminate duplicates Z: 42 19.228 1.839 0.499 0.396 0.927 0.463 CB 1.311 42 residues pruned to eliminate duplicates Z: 8 8.229 1.799 0.660 0.788 0.857 0.714 CB 0.943 Z: 10 17.286 1.866 0.710 0.893 1.000 1.000 CB 1.296 10 residues pruned to eliminate duplicates Z: 10 4.141 1.661 0.463 0.368 0.667 0.667 CB 0.982 Z: 9 18.071 1.969 0.869 0.885 1.000 0.875 CB 1.254 9 residues pruned to eliminate duplicates Z: 18 25.744 1.964 0.769 0.730 1.000 0.588 CB 1.461 15 residues pruned to eliminate duplicates Z: 20 11.035 1.760 0.433 0.516 0.842 0.474 CB 1.173 20 residues pruned to eliminate duplicates Z: 15 17.114 1.870 0.621 0.814 0.929 0.857 CB 1.237 15 residues pruned to eliminate duplicates Z: 10 13.865 1.942 0.634 0.838 0.889 0.889 CB 1.225 10 residues pruned to eliminate duplicates Z: 23 21.352 1.849 0.476 0.893 1.000 0.818 CB 1.198 23 residues pruned to eliminate duplicates Z: 11 7.044 1.660 0.666 0.379 0.800 0.400 CB 1.145 13 residues pruned to eliminate duplicates Z: 15 19.164 1.880 0.728 0.841 0.857 0.786 CB 1.372 15 residues pruned to eliminate duplicates Z: 16 16.146 1.717 0.520 0.867 0.933 0.800 CA 1.252 16 residues pruned to eliminate duplicates Z: 8 15.399 2.068 0.456 0.864 1.000 0.714 CB 1.417 8 residues pruned to eliminate duplicates Z: 15 17.676 1.822 0.479 0.816 1.000 0.786 CB 1.331 16 residues pruned to eliminate duplicates Z: 18 22.332 1.760 0.739 0.935 1.000 0.824 CB 1.234 18 residues pruned to eliminate duplicates Z: 29 12.544 1.696 0.626 0.458 0.857 0.571 CB 1.047 19 residues pruned to eliminate duplicates Z: 26 25.714 2.063 0.412 0.884 0.960 0.800 CB 1.329 26 residues pruned to eliminate duplicates Z: 10 14.192 1.765 0.418 0.919 1.000 0.778 CB 1.332 10 residues pruned to eliminate duplicates Z: 8 19.216 1.823 1.193 0.819 1.000 1.000 CB 1.378 13 residues pruned to eliminate duplicates Z: 17 13.196 1.757 0.482 0.653 1.000 0.688 CB 1.099 17 residues pruned to eliminate duplicates Z: 8 2.563 1.662 0.367 0.748 0.714 0.714 CB 0.478 Z: 6 5.347 1.471 0.436 0.759 1.000 1.000 CB 0.900 6 residues pruned to eliminate duplicates Z: 6 2.821 1.874 -0.390 0.870 1.000 1.000 CB 0.806 6 residues pruned to eliminate duplicates Z: 7 4.683 1.335 0.326 0.839 0.833 0.500 CB 0.967 Z: 7 7.477 1.801 0.817 0.582 0.833 0.833 CB 1.035 Z: 16 17.538 1.854 0.428 0.894 0.867 0.600 CB 1.416 19 residues pruned to eliminate duplicates Z: 15 23.284 1.900 0.841 0.904 0.929 0.857 CB 1.365 15 residues pruned to eliminate duplicates Z: 37 19.111 1.857 0.499 0.496 0.944 0.500 CB 1.217 37 residues pruned to eliminate duplicates Z: 7 4.254 1.513 0.745 0.455 0.667 0.500 CA 1.032 Z: 15 15.830 1.760 0.677 0.847 0.929 0.643 CB 1.146 15 residues pruned to eliminate duplicates Z: 19 26.032 1.831 0.790 0.875 1.000 0.778 CB 1.362 19 residues pruned to eliminate duplicates Z: 27 18.288 1.995 0.596 0.459 0.885 0.500 CB 1.328 27 residues pruned to eliminate duplicates Z: 17 17.799 1.793 0.577 0.890 1.000 0.750 CB 1.132 17 residues pruned to eliminate duplicates Z: 18 14.340 1.759 0.471 0.831 0.941 0.706 CB 1.073 18 residues pruned to eliminate duplicates Z: 30 32.888 1.958 0.999 0.738 0.966 0.621 CB 1.306 32 residues pruned to eliminate duplicates Z: 11 11.252 1.851 1.148 0.471 0.900 0.700 CB 1.024 11 residues pruned to eliminate duplicates Z: 33 20.670 1.938 0.631 0.495 0.875 0.625 CB 1.327 33 residues pruned to eliminate duplicates Z: 7 13.432 1.978 0.956 0.859 1.000 1.000 CB 1.043 7 residues pruned to eliminate duplicates Z: 10 13.080 1.668 0.902 0.795 1.000 0.667 CB 1.061 10 residues pruned to eliminate duplicates Z: 65 40.493 1.950 0.718 0.729 0.984 0.797 CB 1.249 62 residues pruned to eliminate duplicates Z: 11 11.177 1.678 0.392 0.846 1.000 0.700 CB 1.124 11 residues pruned to eliminate duplicates Z: 26 17.858 1.789 0.323 0.844 0.920 0.720 CB 1.220 26 residues pruned to eliminate duplicates Z: 14 15.888 1.761 1.051 0.813 0.846 0.385 CB 1.098 14 residues pruned to eliminate duplicates Z: 9 17.973 1.978 0.830 0.862 1.000 0.750 CB 1.289 9 residues pruned to eliminate duplicates Z: 10 12.149 1.645 0.680 0.601 1.000 0.556 CB 1.331 Z: 17 23.297 1.871 0.800 0.944 1.000 0.875 CB 1.197 17 residues pruned to eliminate duplicates Z: 38 17.333 1.904 0.535 0.415 0.892 0.486 CB 1.195 38 residues pruned to eliminate duplicates Z: 16 12.321 1.803 0.374 0.876 0.933 0.667 CB 0.999 16 residues pruned to eliminate duplicates Z: 12 16.877 1.830 0.360 0.889 1.000 0.818 CB 1.472 12 residues pruned to eliminate duplicates Z: 27 30.840 2.104 0.483 0.910 0.962 0.923 CB 1.429 27 residues pruned to eliminate duplicates Z: 14 7.112 1.824 0.462 0.330 0.769 0.538 CB 1.158 14 residues pruned to eliminate duplicates Z: 9 15.339 1.957 0.771 0.860 0.875 0.875 CB 1.314 9 residues pruned to eliminate duplicates Z: 14 9.269 1.855 0.685 0.426 0.769 0.615 CB 1.155 13 residues pruned to eliminate duplicates Z: 17 20.439 1.891 0.433 0.888 1.000 0.938 CB 1.359 17 residues pruned to eliminate duplicates Z: 24 20.644 1.841 0.501 0.833 1.000 0.783 CB 1.169 24 residues pruned to eliminate duplicates Z: 10 11.183 1.757 0.279 0.829 0.889 0.889 CB 1.405 10 residues pruned to eliminate duplicates Z: 9 8.696 1.773 0.955 0.719 0.750 0.750 CB 0.970 9 residues pruned to eliminate duplicates Z: 24 19.506 1.999 0.614 0.510 0.957 0.609 CB 1.305 24 residues pruned to eliminate duplicates 9 1.387 1.582 0.415 0.196 0.375 0.250 CB 0.839 ? Z: 28 17.870 1.967 0.529 0.501 0.852 0.556 CB 1.341 28 residues pruned to eliminate duplicates Z: 11 7.409 1.796 0.466 0.434 0.900 0.400 CB 1.059 11 residues pruned to eliminate duplicates Z: 12 8.254 1.685 0.427 0.769 1.000 0.636 CB 0.816 Z: 8 4.203 1.642 0.389 0.776 0.857 0.571 CB 0.637 9 residues pruned to eliminate duplicates Z: 8 2.887 1.611 0.358 0.260 0.714 0.571 CB 0.919 Z: 9 13.294 1.775 0.561 0.866 1.000 0.750 CB 1.242 9 residues pruned to eliminate duplicates Z: 20 25.253 1.815 0.610 0.918 1.000 0.789 CB 1.398 20 residues pruned to eliminate duplicates Z: 17 20.660 1.897 0.482 0.929 1.000 0.938 CB 1.286 17 residues pruned to eliminate duplicates Z: 9 9.142 1.686 0.687 0.582 0.875 0.750 CB 1.200 Z: 11 6.555 1.591 0.325 0.498 0.800 0.600 CB 1.231 11 residues pruned to eliminate duplicates Z: 21 27.552 1.940 0.989 0.673 0.950 0.550 CB 1.433 21 residues pruned to eliminate duplicates Z: 9 15.295 1.743 0.655 0.906 1.000 0.875 CB 1.333 8 residues pruned to eliminate duplicates Z: 11 18.533 1.798 0.504 0.863 1.000 1.000 CB 1.590 10 residues pruned to eliminate duplicates Z: 12 11.886 1.686 0.537 0.813 0.909 0.545 CB 1.158 12 residues pruned to eliminate duplicates Z: 12 12.571 1.708 0.477 0.842 0.909 0.909 CB 1.231 12 residues pruned to eliminate duplicates Z: 17 26.531 1.686 1.153 0.909 1.000 0.625 CB 1.297 16 residues pruned to eliminate duplicates Z: 6 2.263 1.262 0.132 0.565 0.800 0.800 CB 0.832 6 residues pruned to eliminate duplicates Z: 11 5.901 1.615 0.672 0.387 0.800 0.400 CB 0.974 9 residues pruned to eliminate duplicates Z: 14 16.932 1.834 0.555 0.876 1.000 0.769 CB 1.196 14 residues pruned to eliminate duplicates Z: 7 10.790 1.939 0.979 0.901 1.000 1.000 CB 0.819 7 residues pruned to eliminate duplicates Z: 6 8.854 1.832 0.444 0.844 1.000 0.600 CB 1.114 6 residues pruned to eliminate duplicates Z: 6 5.394 1.514 0.284 0.429 1.000 0.600 CB 1.336 Z: 6 2.781 1.444 0.355 0.557 0.800 0.800 CB 0.752 Z: 12 24.241 1.943 0.629 0.891 1.000 0.818 CA 1.660 12 residues pruned to eliminate duplicates Z: 9 16.627 1.840 0.520 0.851 1.000 0.875 CB 1.557 9 residues pruned to eliminate duplicates Z: 8 5.516 1.494 0.580 0.700 0.857 0.429 CB 0.859 8 residues pruned to eliminate duplicates Z: 46 17.678 1.844 0.614 0.446 0.844 0.578 CB 1.108 46 residues pruned to eliminate duplicates Z: 8 4.426 1.614 0.239 0.261 0.857 0.286 CB 1.282 8 residues pruned to eliminate duplicates Z: 12 11.849 1.822 0.593 0.600 0.909 0.727 CB 1.231 12 residues pruned to eliminate duplicates Z: 26 10.533 1.826 0.441 0.360 0.840 0.440 CB 1.109 26 residues pruned to eliminate duplicates Z: 12 16.727 1.844 0.440 0.901 1.000 0.818 CB 1.356 12 residues pruned to eliminate duplicates Z: 6 5.652 1.573 0.572 0.599 0.800 0.600 N 1.163 Z: 12 12.513 1.711 0.736 0.777 0.909 0.636 CB 1.094 12 residues pruned to eliminate duplicates Z: 6 4.920 1.642 0.421 0.648 1.000 1.000 CB 0.821 Z: 7 6.146 1.451 0.308 0.844 1.000 0.833 CB 0.984 Z: 8 8.205 1.714 0.512 0.472 1.000 0.571 CB 1.232 Z: 6 7.200 1.385 1.149 0.680 1.000 0.800 O 0.917 Z: 9 4.726 1.467 0.343 0.507 0.750 0.625 N 1.124 Z: 8 9.354 2.009 0.118 0.843 1.000 0.857 CB 1.172 8 residues pruned to eliminate duplicates Z: 17 3.471 1.459 0.510 0.279 0.688 0.438 CB 0.735 Z: 8 6.805 1.541 0.502 0.507 0.857 0.857 CB 1.288 8 residues pruned to eliminate duplicates Z: 64 40.257 1.988 0.644 0.726 0.984 0.778 CB 1.286 64 residues pruned to eliminate duplicates Z: 17 22.749 1.951 0.533 0.794 0.938 0.875 CB 1.567 17 residues pruned to eliminate duplicates Z: 11 8.830 1.672 0.783 0.753 0.800 0.400 CB 0.935 11 residues pruned to eliminate duplicates Z: 31 17.432 1.779 0.576 0.576 0.833 0.500 CB 1.266 25 residues pruned to eliminate duplicates Z: 17 13.773 1.678 0.802 0.804 0.812 0.438 CB 1.075 17 residues pruned to eliminate duplicates Z: 14 13.920 1.632 0.607 0.811 1.000 0.615 CB 1.122 14 residues pruned to eliminate duplicates Z: 8 11.305 1.605 0.740 0.648 1.000 0.571 N 1.333 9 residues pruned to eliminate duplicates Z: 46 23.944 1.842 0.599 0.502 0.889 0.533 CB 1.360 46 residues pruned to eliminate duplicates Z: 17 18.839 1.955 0.735 0.876 0.938 0.688 CB 1.077 17 residues pruned to eliminate duplicates Z: 6 4.171 1.635 0.614 0.302 0.800 0.600 N 1.102 Z: 7 10.103 1.966 0.348 0.828 1.000 0.667 CB 1.172 7 residues pruned to eliminate duplicates Z: 24 13.288 1.613 0.706 0.468 0.913 0.609 CB 1.139 36 residues pruned to eliminate duplicates Z: 11 6.845 1.940 0.787 0.882 1.000 1.000 CB 0.452 10 residues pruned to eliminate duplicates Z: 6 5.004 1.511 1.233 0.785 0.800 0.800 CB 0.645 Z: 12 6.999 1.641 0.437 0.342 0.818 0.545 CB 1.299 12 residues pruned to eliminate duplicates Z: 15 22.806 1.869 0.893 0.880 0.929 0.857 CB 1.344 15 residues pruned to eliminate duplicates Z: 9 13.138 1.676 0.933 0.810 1.000 0.500 CB 1.095 Z: 18 18.100 1.851 0.756 0.762 0.882 0.588 CB 1.213 18 residues pruned to eliminate duplicates Z: 7 9.804 1.628 0.819 0.701 0.833 0.833 N 1.350 Z: 8 10.684 1.668 0.702 0.809 1.000 0.714 CB 1.087 8 residues pruned to eliminate duplicates Z: 6 3.656 1.526 0.494 0.749 0.800 0.600 CB 0.718 Z: 9 14.791 1.797 0.660 0.825 1.000 0.375 CB 1.323 9 residues pruned to eliminate duplicates Z: 12 13.678 1.714 1.247 0.847 0.727 0.273 CB 1.093 12 residues pruned to eliminate duplicates Z: 9 4.658 1.537 0.346 0.330 0.875 0.625 CB 1.096 Z: 14 7.063 1.556 0.305 0.676 0.769 0.615 CB 1.066 14 residues pruned to eliminate duplicates Z: 10 12.501 1.659 0.654 0.805 0.889 0.333 N 1.310 10 residues pruned to eliminate duplicates Z: 10 4.316 1.438 0.471 0.482 0.889 0.556 CB 0.779 5 residues pruned to eliminate duplicates Z: 16 23.349 1.933 0.503 0.890 0.933 0.800 CB 1.600 16 residues pruned to eliminate duplicates Z: 8 10.481 1.766 0.756 0.521 0.857 0.429 CB 1.460 8 residues pruned to eliminate duplicates Z: 7 2.855 1.606 -0.005 0.443 0.833 0.667 CB 0.928 Z: 15 14.065 1.835 0.549 0.675 1.000 0.643 CB 1.125 15 residues pruned to eliminate duplicates Z: 6 2.902 1.766 -0.004 0.439 0.800 0.800 CB 0.982 Z: 11 4.331 1.368 0.639 0.285 0.700 0.400 N 1.112 6 residues pruned to eliminate duplicates Z: 6 3.305 1.508 0.381 0.444 0.800 0.600 CB 0.940 Z: 8 5.179 1.443 0.052 0.838 1.000 0.571 CB 0.964 Z: 9 16.258 1.575 1.019 0.837 1.000 0.750 CB 1.352 10 residues pruned to eliminate duplicates Z: 25 18.726 1.976 0.496 0.605 0.958 0.708 CB 1.221 24 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 10 17.739 1.740 0.913 0.872 1.000 0.778 CB 1.295 9 residues pruned to eliminate duplicates Z: 8 11.146 1.732 0.488 0.823 1.000 0.714 CB 1.236 8 residues pruned to eliminate duplicates Z: 13 8.698 1.680 0.789 0.480 0.917 0.583 CB 0.929 13 residues pruned to eliminate duplicates Z: 13 8.147 1.687 0.675 0.397 0.750 0.417 CB 1.237 13 residues pruned to eliminate duplicates Z: 13 9.812 1.700 0.641 0.496 0.833 0.667 CB 1.223 13 residues pruned to eliminate duplicates Z: 9 11.596 1.797 0.487 0.746 1.000 0.875 CB 1.231 9 residues pruned to eliminate duplicates Z: 6 6.655 1.749 0.457 0.644 0.800 0.600 N 1.276 6 residues pruned to eliminate duplicates Z: 9 4.044 1.769 0.206 0.252 0.750 0.125 CB 1.188 15 residues pruned to eliminate duplicates Z: 6 3.780 1.620 0.645 0.318 1.000 0.600 CA 0.776 6 residues pruned to eliminate duplicates Z: 15 10.161 1.854 0.570 0.427 0.857 0.714 CB 1.174 13 residues pruned to eliminate duplicates Z: 6 3.928 1.544 0.299 0.300 0.800 0.400 N 1.370 Z: 13 9.871 1.958 0.549 0.366 0.750 0.417 CB 1.447 19 residues pruned to eliminate duplicates Z: 14 11.547 1.806 0.804 0.383 0.846 0.615 CB 1.316 14 residues pruned to eliminate duplicates Z: 7 3.525 1.481 0.164 0.778 0.833 0.833 CB 0.784 7 residues pruned to eliminate duplicates Z: 6 6.020 1.421 0.388 0.838 1.000 0.600 N 1.020 5 residues pruned to eliminate duplicates Z: 6 4.920 1.429 1.029 0.756 1.000 0.600 CB 0.604 6 residues pruned to eliminate duplicates Z: 12 30.053 2.009 0.955 0.881 1.000 0.818 CB 1.671 14 residues pruned to eliminate duplicates Z: 13 21.285 1.824 0.825 0.911 0.917 0.750 CB 1.426 13 residues pruned to eliminate duplicates Z: 11 25.946 1.983 0.865 0.889 1.000 0.800 CB 1.597 11 residues pruned to eliminate duplicates Z: 14 17.493 1.784 0.851 0.685 0.923 0.769 CB 1.343 14 residues pruned to eliminate duplicates Z: 15 14.136 1.776 0.665 0.647 0.857 0.571 CB 1.299 15 residues pruned to eliminate duplicates Z: 15 17.599 1.792 0.763 0.650 0.929 0.714 CB 1.394 15 residues pruned to eliminate duplicates Z: 14 15.002 1.850 0.630 0.721 0.846 0.615 CB 1.337 14 residues pruned to eliminate duplicates Z: 13 21.515 1.831 0.756 0.755 1.000 0.667 CB 1.540 13 residues pruned to eliminate duplicates Z: 14 16.781 1.817 0.669 0.683 0.846 0.615 N 1.532 14 residues pruned to eliminate duplicates Z: 14 21.854 1.923 0.959 0.688 0.923 0.385 CB 1.467 14 residues pruned to eliminate duplicates Z: 16 13.674 1.812 0.612 0.661 1.000 0.667 CB 1.042 11 residues pruned to eliminate duplicates Z: 9 16.056 1.960 0.971 0.827 0.875 0.750 CB 1.266 9 residues pruned to eliminate duplicates Z: 17 13.592 1.759 0.637 0.621 0.875 0.562 CB 1.202 17 residues pruned to eliminate duplicates Z: 15 12.684 1.828 0.529 0.657 0.929 0.643 CB 1.129 15 residues pruned to eliminate duplicates Z: 23 15.704 1.769 0.629 0.563 0.955 0.636 CB 1.144 23 residues pruned to eliminate duplicates Z: 10 19.261 1.938 0.887 0.833 1.000 0.444 CB 1.317 10 residues pruned to eliminate duplicates Z: 15 13.845 1.810 0.699 0.629 0.929 0.643 CB 1.148 15 residues pruned to eliminate duplicates Z: 23 18.848 1.814 0.750 0.585 0.955 0.727 CB 1.222 23 residues pruned to eliminate duplicates Z: 11 13.199 1.894 0.604 0.789 1.000 0.700 CB 1.066 11 residues pruned to eliminate duplicates Z: 16 16.813 1.917 0.652 0.622 0.933 0.800 CB 1.309 16 residues pruned to eliminate duplicates Z: 23 18.820 1.813 0.710 0.584 0.955 0.727 CB 1.251 23 residues pruned to eliminate duplicates Z: 16 17.143 1.771 0.539 0.822 0.933 0.733 CB 1.316 16 residues pruned to eliminate duplicates Z: 22 14.595 1.849 0.301 0.586 0.857 0.619 CB 1.423 22 residues pruned to eliminate duplicates Z: 22 20.105 1.829 0.653 0.602 0.952 0.619 CB 1.382 22 residues pruned to eliminate duplicates Z: 17 15.067 1.784 0.559 0.681 0.875 0.625 CB 1.311 17 residues pruned to eliminate duplicates Z: 29 29.918 1.965 0.679 0.694 0.964 0.679 CB 1.488 30 residues pruned to eliminate duplicates Z: 15 24.232 1.936 0.615 0.907 1.000 0.786 CB 1.473 15 residues pruned to eliminate duplicates Z: 21 20.229 1.965 0.656 0.617 0.900 0.600 CB 1.383 21 residues pruned to eliminate duplicates Z: 26 19.031 1.813 0.704 0.638 0.920 0.640 CB 1.176 18 residues pruned to eliminate duplicates Z: 15 27.206 1.918 0.682 0.909 1.000 0.786 CB 1.599 15 residues pruned to eliminate duplicates Z: 35 24.975 1.876 0.765 0.695 0.941 0.647 CB 1.150 35 residues pruned to eliminate duplicates Z: 14 25.179 1.951 0.802 0.896 1.000 0.692 CB 1.422 14 residues pruned to eliminate duplicates Z: 24 19.732 1.866 0.760 0.531 0.913 0.609 CB 1.331 24 residues pruned to eliminate duplicates Z: 26 19.904 1.860 0.708 0.580 0.920 0.640 CB 1.261 26 residues pruned to eliminate duplicates Z: 34 26.801 1.887 0.758 0.697 0.909 0.636 CB 1.293 34 residues pruned to eliminate duplicates Z: 42 26.988 1.860 0.668 0.680 0.927 0.732 CB 1.242 42 residues pruned to eliminate duplicates Z: 32 31.172 1.913 0.948 0.663 0.935 0.548 CB 1.381 32 residues pruned to eliminate duplicates Z: 29 31.417 1.961 0.739 0.705 1.000 0.786 CB 1.445 29 residues pruned to eliminate duplicates Z: 36 25.748 1.902 0.772 0.663 0.914 0.629 CB 1.214 36 residues pruned to eliminate duplicates Z: 38 31.331 1.900 0.813 0.722 0.946 0.784 CB 1.294 38 residues pruned to eliminate duplicates Z: 35 31.449 1.911 0.863 0.720 0.941 0.559 CB 1.319 35 residues pruned to eliminate duplicates Z: 42 31.066 1.891 0.888 0.704 0.927 0.707 CB 1.217 42 residues pruned to eliminate duplicates Z: 31 34.822 1.923 1.056 0.686 0.967 0.567 CB 1.402 39 residues pruned to eliminate duplicates Z: 18 28.890 1.918 0.973 0.908 1.000 0.765 CB 1.315 18 residues pruned to eliminate duplicates Z: 37 32.609 1.907 1.053 0.646 0.972 0.611 CB 1.246 37 residues pruned to eliminate duplicates Z: 36 38.197 1.901 0.971 0.809 1.000 0.714 CB 1.317 36 residues pruned to eliminate duplicates Z: 42 34.558 1.899 0.939 0.715 0.976 0.561 CB 1.237 33 residues pruned to eliminate duplicates Z: 18 31.723 1.928 1.250 0.883 0.941 0.706 CB 1.362 18 residues pruned to eliminate duplicates Z: 36 41.706 1.912 1.040 0.788 1.000 0.686 CB 1.404 36 residues pruned to eliminate duplicates Z: 18 35.526 1.892 1.360 0.935 1.000 0.588 CB 1.344 19 residues pruned to eliminate duplicates Z: 17 38.994 1.911 1.342 0.934 1.000 0.812 CB 1.519 17 residues pruned to eliminate duplicates Z: 42 33.018 1.868 0.939 0.755 0.951 0.756 CB 1.193 42 residues pruned to eliminate duplicates Z: 42 37.265 1.872 0.928 0.753 1.000 0.659 CB 1.288 42 residues pruned to eliminate duplicates Z: 35 40.014 1.926 0.997 0.802 1.000 0.765 CB 1.371 35 residues pruned to eliminate duplicates Z: 14 13.613 1.912 0.328 0.611 1.000 0.385 CB 1.339 14 residues pruned to eliminate duplicates Z: 17 14.846 1.791 0.330 0.839 0.938 0.562 CB 1.242 17 residues pruned to eliminate duplicates Z: 19 18.087 1.870 0.444 0.666 0.944 0.722 CB 1.434 19 residues pruned to eliminate duplicates Z: 15 18.183 1.841 0.465 0.863 0.929 0.500 CB 1.424 15 residues pruned to eliminate duplicates Z: 30 16.907 1.837 0.476 0.544 0.966 0.586 CB 1.149 30 residues pruned to eliminate duplicates Z: 14 17.080 1.918 0.287 0.786 1.000 0.692 CB 1.492 14 residues pruned to eliminate duplicates Z: 21 14.866 1.791 0.391 0.607 0.950 0.500 CB 1.269 21 residues pruned to eliminate duplicates Z: 20 12.865 1.727 0.344 0.659 0.842 0.474 CB 1.302 20 residues pruned to eliminate duplicates Z: 19 16.644 1.765 0.394 0.727 0.889 0.444 CB 1.462 19 residues pruned to eliminate duplicates Z: 18 11.729 1.826 0.444 0.635 0.765 0.471 CB 1.242 18 residues pruned to eliminate duplicates Z: 42 18.016 1.875 0.432 0.491 0.878 0.390 CB 1.205 42 residues pruned to eliminate duplicates Z: 40 18.735 1.914 0.451 0.428 0.949 0.590 CB 1.226 40 residues pruned to eliminate duplicates Z: 7 4.526 1.273 0.694 0.438 1.000 0.667 N 0.913 Z: 6 3.960 1.495 0.786 0.338 1.000 0.600 N 0.791 6 residues pruned to eliminate duplicates Z: 13 8.047 1.795 0.608 0.373 0.750 0.583 CB 1.230 20 residues pruned to eliminate duplicates Z: 36 20.755 1.934 0.535 0.488 0.943 0.600 CB 1.268 36 residues pruned to eliminate duplicates Z: 11 16.730 2.084 0.550 0.635 1.000 0.600 CB 1.443 11 residues pruned to eliminate duplicates Z: 39 21.755 1.959 0.590 0.443 0.947 0.579 CB 1.268 39 residues pruned to eliminate duplicates Z: 24 16.694 1.997 0.655 0.495 0.826 0.435 CB 1.282 24 residues pruned to eliminate duplicates Z: 11 13.504 2.087 0.497 0.658 0.900 0.400 CB 1.312 11 residues pruned to eliminate duplicates Z: 38 18.105 1.905 0.654 0.478 0.838 0.595 CB 1.153 38 residues pruned to eliminate duplicates Z: 24 22.408 1.981 0.808 0.560 0.957 0.435 CB 1.287 24 residues pruned to eliminate duplicates Z: 47 18.860 1.815 0.487 0.443 0.935 0.543 CB 1.168 47 residues pruned to eliminate duplicates Z: 19 16.426 2.015 0.722 0.527 0.833 0.444 CB 1.303 19 residues pruned to eliminate duplicates Z: 44 20.816 1.869 0.674 0.444 0.907 0.535 CB 1.184 44 residues pruned to eliminate duplicates Z: 23 22.180 2.021 0.740 0.549 0.955 0.636 CB 1.343 23 residues pruned to eliminate duplicates Z: 51 26.119 1.920 0.532 0.555 0.940 0.620 CB 1.266 51 residues pruned to eliminate duplicates Z: 24 23.564 2.045 0.671 0.524 1.000 0.696 CB 1.403 24 residues pruned to eliminate duplicates Z: 15 8.950 1.562 0.539 0.704 0.786 0.643 CB 1.052 15 residues pruned to eliminate duplicates Z: 42 18.706 1.874 0.669 0.413 0.854 0.488 CB 1.199 42 residues pruned to eliminate duplicates Z: 39 23.229 1.941 0.672 0.472 0.895 0.553 CB 1.335 39 residues pruned to eliminate duplicates Z: 39 20.460 1.927 0.671 0.410 0.868 0.553 CB 1.305 39 residues pruned to eliminate duplicates Z: 37 23.512 1.978 0.652 0.473 0.944 0.611 CB 1.305 37 residues pruned to eliminate duplicates Z: 57 27.187 1.894 0.590 0.533 0.911 0.518 CB 1.282 58 residues pruned to eliminate duplicates Z: 14 11.763 1.598 0.554 0.756 0.923 0.538 CB 1.134 14 residues pruned to eliminate duplicates Z: 16 14.994 1.812 0.514 0.697 0.933 0.733 CB 1.263 17 residues pruned to eliminate duplicates Z: 11 11.887 1.769 0.476 0.852 0.900 0.700 CB 1.183 11 residues pruned to eliminate duplicates Z: 23 12.275 1.806 0.519 0.517 0.864 0.409 CB 1.086 23 residues pruned to eliminate duplicates Z: 17 12.939 1.778 0.425 0.631 0.875 0.500 CB 1.291 17 residues pruned to eliminate duplicates Z: 10 16.696 1.879 0.592 0.718 1.000 0.667 CB 1.528 10 residues pruned to eliminate duplicates Z: 17 12.719 1.785 0.608 0.688 0.875 0.688 CB 1.065 17 residues pruned to eliminate duplicates Z: 20 15.136 1.766 0.655 0.614 0.842 0.526 CB 1.267 19 residues pruned to eliminate duplicates Z: 12 12.475 1.742 0.327 0.824 1.000 0.636 CB 1.230 12 residues pruned to eliminate duplicates Z: 18 14.683 1.748 0.662 0.671 0.882 0.529 CB 1.187 18 residues pruned to eliminate duplicates Z: 21 14.615 1.808 0.480 0.619 0.900 0.600 CB 1.213 21 residues pruned to eliminate duplicates Z: 22 14.525 1.807 0.439 0.594 0.857 0.524 CB 1.299 22 residues pruned to eliminate duplicates Z: 22 16.377 1.794 0.483 0.610 0.952 0.714 CB 1.270 22 residues pruned to eliminate duplicates Z: 11 9.322 1.871 0.710 0.415 0.700 0.400 N 1.438 11 residues pruned to eliminate duplicates Z: 55 22.090 1.904 0.551 0.451 0.852 0.537 CB 1.255 55 residues pruned to eliminate duplicates Z: 25 18.569 1.848 0.749 0.581 0.792 0.542 CB 1.371 25 residues pruned to eliminate duplicates Z: 13 10.326 1.855 0.864 0.375 0.750 0.583 CB 1.314 13 residues pruned to eliminate duplicates Z: 22 15.471 1.838 0.816 0.515 0.810 0.524 CB 1.230 22 residues pruned to eliminate duplicates Z: 12 8.551 1.866 0.514 0.448 0.818 0.545 CB 1.177 12 residues pruned to eliminate duplicates Z: 32 20.399 1.838 0.653 0.609 0.806 0.613 CB 1.347 32 residues pruned to eliminate duplicates Z: 23 19.158 1.918 0.553 0.675 0.864 0.682 CB 1.352 23 residues pruned to eliminate duplicates Z: 24 18.107 1.839 0.758 0.650 0.826 0.522 CB 1.230 24 residues pruned to eliminate duplicates Z: 23 21.000 1.906 0.617 0.739 0.864 0.636 CB 1.358 23 residues pruned to eliminate duplicates Z: 26 23.406 1.799 0.728 0.644 0.960 0.680 CB 1.372 26 residues pruned to eliminate duplicates Z: 59 30.876 1.915 0.651 0.529 0.948 0.655 CB 1.314 59 residues pruned to eliminate duplicates Z: 19 15.677 1.799 0.973 0.640 0.833 0.556 CB 1.096 19 residues pruned to eliminate duplicates Z: 11 14.613 1.798 0.629 0.715 1.000 0.700 N 1.299 11 residues pruned to eliminate duplicates Z: 13 14.678 1.817 0.536 0.575 1.000 0.667 CB 1.413 13 residues pruned to eliminate duplicates Z: 24 22.038 1.849 0.658 0.682 0.957 0.609 CB 1.325 24 residues pruned to eliminate duplicates Z: 25 19.467 1.853 0.819 0.638 0.875 0.708 CB 1.184 25 residues pruned to eliminate duplicates Z: 19 11.513 1.803 0.495 0.599 0.944 0.722 CB 0.970 19 residues pruned to eliminate duplicates Z: 26 12.403 1.851 0.605 0.458 0.840 0.680 CB 1.038 26 residues pruned to eliminate duplicates Z: 14 11.138 1.845 0.670 0.524 0.846 0.615 CB 1.156 14 residues pruned to eliminate duplicates Z: 12 10.485 1.824 0.647 0.612 0.818 0.636 CB 1.157 12 residues pruned to eliminate duplicates Z: 44 22.052 1.897 0.610 0.501 0.884 0.605 CB 1.245 44 residues pruned to eliminate duplicates Z: 50 24.814 1.901 0.677 0.493 0.878 0.551 CB 1.276 49 residues pruned to eliminate duplicates Z: 6 4.584 1.240 0.835 0.465 1.000 0.600 CB 0.934 6 residues pruned to eliminate duplicates Z: 38 17.737 1.892 0.489 0.441 0.892 0.649 CB 1.234 38 residues pruned to eliminate duplicates Z: 50 25.241 1.901 0.596 0.540 0.918 0.653 CB 1.244 50 residues pruned to eliminate duplicates Z: 50 21.786 1.889 0.567 0.508 0.878 0.612 CB 1.189 50 residues pruned to eliminate duplicates Z: 46 21.700 1.915 0.559 0.508 0.822 0.644 CB 1.307 46 residues pruned to eliminate duplicates Z: 55 26.892 1.927 0.562 0.518 0.907 0.593 CB 1.317 55 residues pruned to eliminate duplicates Z: 36 22.210 1.966 0.609 0.489 0.943 0.600 CB 1.272 36 residues pruned to eliminate duplicates Z: 60 23.323 1.919 0.512 0.507 0.881 0.610 CB 1.179 60 residues pruned to eliminate duplicates Z: 35 13.918 1.923 0.486 0.416 0.735 0.471 CB 1.240 35 residues pruned to eliminate duplicates Z: 47 22.543 1.893 0.707 0.486 0.891 0.609 CB 1.171 47 residues pruned to eliminate duplicates Z: 59 26.445 1.897 0.670 0.522 0.897 0.621 CB 1.196 59 residues pruned to eliminate duplicates Z: 47 23.613 1.900 0.597 0.514 0.891 0.587 CB 1.270 47 residues pruned to eliminate duplicates Z: 46 22.046 1.897 0.566 0.484 0.911 0.556 CB 1.233 46 residues pruned to eliminate duplicates Z: 57 22.762 1.904 0.557 0.464 0.893 0.571 CB 1.192 57 residues pruned to eliminate duplicates Z: 33 20.272 1.966 0.516 0.438 0.906 0.531 CB 1.414 33 residues pruned to eliminate duplicates Z: 31 18.500 1.949 0.519 0.474 0.900 0.600 CB 1.301 31 residues pruned to eliminate duplicates Z: 35 16.529 1.937 0.579 0.447 0.824 0.471 CB 1.189 35 residues pruned to eliminate duplicates Z: 52 24.519 1.925 0.585 0.477 0.863 0.588 CB 1.335 52 residues pruned to eliminate duplicates Z: 30 18.152 1.917 0.554 0.463 0.897 0.517 CB 1.311 30 residues pruned to eliminate duplicates Z: 47 20.114 1.892 0.513 0.486 0.870 0.587 CB 1.208 47 residues pruned to eliminate duplicates Z: 31 18.343 1.963 0.532 0.438 0.933 0.533 CB 1.271 31 residues pruned to eliminate duplicates Z: 32 19.456 1.955 0.700 0.409 0.806 0.581 CB 1.434 32 residues pruned to eliminate duplicates Z: 44 23.993 1.886 0.757 0.500 0.907 0.581 CB 1.218 44 residues pruned to eliminate duplicates Z: 35 16.357 1.899 0.502 0.398 0.912 0.559 CB 1.202 35 residues pruned to eliminate duplicates Z: 45 21.628 1.905 0.601 0.465 0.932 0.591 CB 1.189 45 residues pruned to eliminate duplicates Z: 28 16.970 1.927 0.714 0.410 0.815 0.593 CB 1.334 28 residues pruned to eliminate duplicates Z: 32 19.018 1.938 0.575 0.400 0.871 0.452 CB 1.427 31 residues pruned to eliminate duplicates Z: 7 7.915 1.790 0.706 0.446 0.833 0.333 CB 1.343 7 residues pruned to eliminate duplicates Z: 46 26.873 1.922 0.795 0.498 0.933 0.578 CB 1.247 46 residues pruned to eliminate duplicates Z: 36 23.448 1.932 0.867 0.465 0.886 0.571 CB 1.285 36 residues pruned to eliminate duplicates Z: 37 20.464 1.928 0.561 0.458 0.917 0.556 CB 1.290 37 residues pruned to eliminate duplicates Z: 38 21.699 1.918 0.742 0.467 0.919 0.595 CB 1.202 38 residues pruned to eliminate duplicates Z: 9 4.476 1.565 0.934 0.336 0.750 0.500 CB 0.834 9 residues pruned to eliminate duplicates Z: 58 25.355 1.872 0.719 0.450 0.912 0.561 CB 1.204 58 residues pruned to eliminate duplicates Z: 19 20.342 1.899 0.705 0.741 1.000 0.667 CB 1.193 19 residues pruned to eliminate duplicates Z: 36 32.046 1.873 0.876 0.783 1.000 0.829 CB 1.202 42 residues pruned to eliminate duplicates Z: 16 24.163 1.874 0.683 0.901 1.000 0.800 CB 1.412 16 residues pruned to eliminate duplicates Z: 18 18.453 1.894 0.753 0.792 0.941 0.647 CB 1.108 18 residues pruned to eliminate duplicates Z: 24 20.482 1.867 0.715 0.691 1.000 0.565 CB 1.120 24 residues pruned to eliminate duplicates Z: 28 19.971 1.789 0.777 0.618 0.963 0.593 CB 1.123 37 residues pruned to eliminate duplicates Z: 17 20.830 1.896 0.729 0.892 0.938 0.875 CB 1.217 17 residues pruned to eliminate duplicates Z: 18 18.348 1.904 0.802 0.820 0.941 0.941 CB 1.044 18 residues pruned to eliminate duplicates Z: 23 19.318 1.836 0.723 0.689 0.955 0.682 CB 1.147 23 residues pruned to eliminate duplicates Z: 35 28.927 1.917 0.754 0.815 0.941 0.824 CB 1.192 35 residues pruned to eliminate duplicates Z: 22 23.818 1.932 0.817 0.737 1.000 0.619 CB 1.197 22 residues pruned to eliminate duplicates Z: 17 26.173 1.888 0.891 0.938 1.000 0.750 CB 1.275 17 residues pruned to eliminate duplicates Z: 24 19.362 1.856 0.733 0.651 0.957 0.652 CB 1.140 24 residues pruned to eliminate duplicates Z: 16 22.450 1.962 0.794 0.917 1.000 0.667 CB 1.162 16 residues pruned to eliminate duplicates Z: 37 26.688 1.881 0.690 0.793 0.944 0.694 CB 1.147 37 residues pruned to eliminate duplicates Z: 32 28.578 1.896 0.856 0.738 0.968 0.645 CB 1.217 32 residues pruned to eliminate duplicates Z: 38 32.948 1.855 0.933 0.778 0.973 0.784 CB 1.214 37 residues pruned to eliminate duplicates Z: 20 26.438 1.840 0.806 0.805 1.000 0.842 CB 1.398 20 residues pruned to eliminate duplicates Z: 37 35.797 1.885 0.886 0.795 1.000 0.750 CB 1.296 37 residues pruned to eliminate duplicates Z: 18 27.838 1.863 0.861 0.897 1.000 0.941 CB 1.394 18 residues pruned to eliminate duplicates Z: 34 35.647 1.942 0.891 0.813 1.000 0.848 CB 1.287 35 residues pruned to eliminate duplicates Z: 17 26.738 1.896 0.857 0.906 1.000 0.812 CB 1.350 17 residues pruned to eliminate duplicates Z: 34 27.408 1.877 0.771 0.784 0.939 0.636 CB 1.190 34 residues pruned to eliminate duplicates Z: 17 26.854 1.864 0.933 0.823 1.000 0.812 CB 1.408 17 residues pruned to eliminate duplicates Z: 15 24.634 1.873 0.755 0.896 1.000 0.857 CB 1.434 15 residues pruned to eliminate duplicates Z: 35 36.031 1.933 0.930 0.814 1.000 0.706 CB 1.260 35 residues pruned to eliminate duplicates Z: 34 37.568 1.891 1.010 0.788 1.000 0.636 CB 1.336 38 residues pruned to eliminate duplicates Z: 20 29.746 1.783 1.076 0.877 1.000 0.632 CB 1.338 20 residues pruned to eliminate duplicates Z: 17 24.974 1.829 0.909 0.803 1.000 0.688 CB 1.372 17 residues pruned to eliminate duplicates Z: 16 27.562 1.822 1.197 0.828 1.000 0.667 CB 1.338 12 residues pruned to eliminate duplicates Z: 20 32.763 1.788 1.273 0.907 1.000 0.737 CB 1.314 20 residues pruned to eliminate duplicates Z: 19 22.855 1.750 1.173 0.831 0.833 0.611 CB 1.278 19 residues pruned to eliminate duplicates Z: 18 23.717 1.742 1.017 0.845 1.000 0.471 CB 1.217 18 residues pruned to eliminate duplicates Z: 16 29.938 1.880 1.047 0.903 1.000 0.800 CB 1.432 16 residues pruned to eliminate duplicates Z: 12 7.083 1.580 0.418 0.365 0.818 0.545 CB 1.348 12 residues pruned to eliminate duplicates Z: 19 10.216 1.609 0.749 0.408 0.833 0.444 CB 1.131 18 residues pruned to eliminate duplicates Z: 6 5.926 1.467 0.342 0.686 1.000 0.600 CA 1.134 6 residues pruned to eliminate duplicates Z: 16 6.388 1.556 0.400 0.322 0.933 0.600 CB 0.986 16 residues pruned to eliminate duplicates Z: 13 13.046 1.717 0.698 0.504 1.000 0.750 CB 1.286 13 residues pruned to eliminate duplicates Z: 15 9.640 1.572 0.491 0.441 1.000 0.571 CB 1.168 15 residues pruned to eliminate duplicates Z: 12 5.435 1.601 0.371 0.388 0.909 0.182 CB 0.925 12 residues pruned to eliminate duplicates Z: 13 12.810 1.725 0.726 0.520 1.000 0.667 CB 1.218 16 residues pruned to eliminate duplicates Z: 8 7.788 1.409 0.694 0.719 1.000 0.429 CB 1.012 8 residues pruned to eliminate duplicates Z: 14 5.749 1.672 0.798 0.394 0.538 0.462 CB 1.102 14 residues pruned to eliminate duplicates Z: 29 11.745 1.631 0.595 0.453 0.893 0.464 CB 1.003 29 residues pruned to eliminate duplicates Z: 26 11.043 1.677 0.536 0.435 0.880 0.560 CB 1.042 26 residues pruned to eliminate duplicates Z: 22 10.903 1.673 0.369 0.450 0.905 0.476 CB 1.208 22 residues pruned to eliminate duplicates Z: 24 9.517 1.713 0.470 0.419 0.826 0.435 CB 1.038 24 residues pruned to eliminate duplicates Z: 20 9.716 1.667 0.403 0.457 0.895 0.474 CB 1.113 20 residues pruned to eliminate duplicates Z: 25 9.701 1.677 0.476 0.416 0.792 0.458 CB 1.104 25 residues pruned to eliminate duplicates Z: 20 8.322 1.685 0.436 0.392 0.789 0.474 CB 1.120 20 residues pruned to eliminate duplicates Z: 17 5.724 1.618 0.565 0.330 0.750 0.500 CB 0.908 17 residues pruned to eliminate duplicates Z: 12 5.256 1.688 0.374 0.359 0.727 0.545 CB 1.093 12 residues pruned to eliminate duplicates Z: 16 11.936 1.810 0.624 0.548 0.867 0.733 CB 1.154 18 residues pruned to eliminate duplicates Z: 10 10.141 1.602 0.815 0.630 0.889 0.667 CB 1.157 10 residues pruned to eliminate duplicates Z: 8 16.743 1.872 0.797 0.762 1.000 1.000 CB 1.490 8 residues pruned to eliminate duplicates Z: 14 12.637 1.779 0.371 0.693 0.923 0.615 CB 1.305 14 residues pruned to eliminate duplicates Z: 17 10.502 1.744 0.562 0.543 0.875 0.562 CB 1.055 17 residues pruned to eliminate duplicates Z: 9 17.420 1.771 1.187 0.644 1.000 0.500 CB 1.390 8 residues pruned to eliminate duplicates Z: 9 16.956 1.749 0.694 0.813 1.000 0.750 N 1.542 9 residues pruned to eliminate duplicates Z: 16 11.624 1.788 0.448 0.609 0.867 0.800 CB 1.206 16 residues pruned to eliminate duplicates Z: 15 26.727 1.960 0.838 0.919 1.000 0.929 CB 1.397 15 residues pruned to eliminate duplicates Z: 18 16.856 1.891 0.750 0.735 0.941 0.765 CB 1.063 18 residues pruned to eliminate duplicates Z: 18 16.644 1.888 0.791 0.759 0.941 0.824 CB 1.008 18 residues pruned to eliminate duplicates Z: 17 18.374 1.910 0.907 0.763 0.938 0.875 CB 1.066 17 residues pruned to eliminate duplicates Z: 46 36.320 2.043 0.623 0.763 0.978 0.800 CB 1.323 46 residues pruned to eliminate duplicates Z: 17 19.985 1.935 0.957 0.759 1.000 0.750 CB 1.048 17 residues pruned to eliminate duplicates Z: 18 20.516 1.863 1.036 0.755 0.941 0.706 CB 1.111 18 residues pruned to eliminate duplicates Z: 20 17.871 1.819 0.925 0.703 0.947 0.789 CB 1.027 20 residues pruned to eliminate duplicates Z: 15 31.241 1.992 1.174 0.864 1.000 0.786 CB 1.414 15 residues pruned to eliminate duplicates Z: 61 37.559 1.962 0.634 0.714 0.967 0.733 CB 1.288 61 residues pruned to eliminate duplicates Z: 17 21.101 1.835 0.957 0.793 0.938 0.750 CB 1.212 17 residues pruned to eliminate duplicates Z: 15 31.067 1.991 1.150 0.869 1.000 0.929 CB 1.417 15 residues pruned to eliminate duplicates Z: 57 36.427 1.982 0.620 0.711 0.929 0.714 CB 1.348 57 residues pruned to eliminate duplicates Z: 46 40.046 2.044 0.777 0.740 0.956 0.778 CB 1.387 46 residues pruned to eliminate duplicates Z: 48 39.311 2.008 0.769 0.735 0.957 0.766 CB 1.366 48 residues pruned to eliminate duplicates Z: 48 38.088 2.021 0.661 0.730 0.957 0.809 CB 1.406 48 residues pruned to eliminate duplicates Z: 29 29.457 2.086 0.589 0.812 0.929 0.714 CB 1.379 29 residues pruned to eliminate duplicates Z: 37 27.143 1.962 0.567 0.683 0.889 0.694 CB 1.399 37 residues pruned to eliminate duplicates Z: 30 28.958 2.078 0.354 0.799 1.000 0.828 CB 1.472 30 residues pruned to eliminate duplicates Z: 35 25.677 1.990 0.482 0.675 0.912 0.706 CB 1.394 35 residues pruned to eliminate duplicates Z: 57 38.485 1.994 0.594 0.712 0.982 0.732 CB 1.360 56 residues pruned to eliminate duplicates Z: 27 27.778 2.110 0.341 0.867 1.000 0.923 CB 1.408 27 residues pruned to eliminate duplicates Z: 34 24.600 1.975 0.532 0.659 0.909 0.636 CB 1.344 34 residues pruned to eliminate duplicates Z: 33 25.468 2.010 0.475 0.745 0.875 0.688 CB 1.395 33 residues pruned to eliminate duplicates Z: 39 29.716 2.008 0.491 0.716 0.947 0.684 CB 1.398 39 residues pruned to eliminate duplicates Z: 49 37.716 2.008 0.741 0.727 0.938 0.792 CB 1.354 49 residues pruned to eliminate duplicates Z: 31 29.867 2.071 0.656 0.794 0.867 0.700 CB 1.417 31 residues pruned to eliminate duplicates Z: 48 39.857 2.014 0.798 0.750 0.957 0.830 CB 1.341 48 residues pruned to eliminate duplicates Z: 50 28.803 1.884 0.548 0.655 0.918 0.673 CB 1.330 50 residues pruned to eliminate duplicates Z: 28 35.308 2.125 0.649 0.837 0.963 0.852 CB 1.507 28 residues pruned to eliminate duplicates Z: 34 27.485 2.035 0.438 0.702 0.970 0.788 CB 1.402 34 residues pruned to eliminate duplicates Z: 46 38.716 2.040 0.686 0.763 0.956 0.844 CB 1.391 46 residues pruned to eliminate duplicates Z: 25 33.409 2.110 0.593 0.846 0.958 0.833 CB 1.572 25 residues pruned to eliminate duplicates Z: 50 36.859 1.998 0.676 0.717 0.959 0.776 CB 1.346 50 residues pruned to eliminate duplicates Z: 28 32.955 2.094 0.607 0.816 0.963 0.778 CB 1.486 28 residues pruned to eliminate duplicates Z: 32 28.487 2.071 0.447 0.767 0.935 0.710 CB 1.441 32 residues pruned to eliminate duplicates Z: 38 30.194 2.019 0.449 0.754 0.946 0.946 CB 1.430 38 residues pruned to eliminate duplicates Z: 49 39.366 2.002 0.841 0.752 0.896 0.688 CB 1.375 49 residues pruned to eliminate duplicates Z: 42 29.265 1.992 0.571 0.670 0.927 0.707 CB 1.347 42 residues pruned to eliminate duplicates Z: 32 28.703 2.060 0.473 0.728 0.935 0.742 CB 1.479 32 residues pruned to eliminate duplicates Z: 47 37.372 2.026 0.642 0.758 1.000 0.696 CB 1.317 47 residues pruned to eliminate duplicates Z: 61 41.633 1.987 0.690 0.718 0.983 0.817 CB 1.336 61 residues pruned to eliminate duplicates Z: 46 36.554 2.035 0.742 0.758 0.933 0.756 CB 1.310 46 residues pruned to eliminate duplicates Z: 47 33.603 1.979 0.613 0.685 1.000 0.739 CB 1.311 47 residues pruned to eliminate duplicates Z: 50 35.893 1.996 0.672 0.719 0.959 0.714 CB 1.314 50 residues pruned to eliminate duplicates Z: 45 32.017 1.979 0.598 0.712 0.955 0.773 CB 1.319 45 residues pruned to eliminate duplicates Z: 39 32.395 2.018 0.544 0.734 0.974 0.737 CB 1.405 39 residues pruned to eliminate duplicates Z: 65 39.352 1.967 0.653 0.720 0.969 0.766 CB 1.280 65 residues pruned to eliminate duplicates Z: 43 34.107 2.016 0.555 0.777 0.976 0.857 CB 1.347 43 residues pruned to eliminate duplicates Z: 61 40.623 1.976 0.722 0.735 0.983 0.800 CB 1.270 61 residues pruned to eliminate duplicates Z: 55 38.899 2.012 0.724 0.739 0.926 0.741 CB 1.331 55 residues pruned to eliminate duplicates Z: 44 34.092 2.005 0.583 0.742 0.953 0.721 CB 1.384 44 residues pruned to eliminate duplicates Z: 47 34.208 1.979 0.546 0.684 1.000 0.717 CB 1.392 47 residues pruned to eliminate duplicates Z: 13 17.582 1.821 0.772 0.755 0.917 0.750 CB 1.367 13 residues pruned to eliminate duplicates Z: 62 35.319 1.909 0.726 0.673 0.885 0.672 CB 1.322 62 residues pruned to eliminate duplicates Z: 44 34.387 2.005 0.477 0.725 1.000 0.837 CB 1.445 44 residues pruned to eliminate duplicates Z: 15 13.755 1.733 0.617 0.695 1.000 0.571 CB 1.098 15 residues pruned to eliminate duplicates Z: 62 34.399 1.903 0.700 0.709 0.951 0.672 CB 1.184 62 residues pruned to eliminate duplicates Z: 17 20.112 1.857 0.761 0.726 1.000 0.875 CB 1.254 15 residues pruned to eliminate duplicates Z: 16 17.040 1.809 0.568 0.766 0.933 0.733 CB 1.312 16 residues pruned to eliminate duplicates Z: 46 36.693 1.963 0.693 0.761 0.978 0.756 CB 1.335 46 residues pruned to eliminate duplicates Z: 66 40.509 1.955 0.669 0.723 0.985 0.738 CB 1.279 66 residues pruned to eliminate duplicates Z: 12 7.007 1.534 0.585 0.470 0.909 0.364 CB 0.985 12 residues pruned to eliminate duplicates Z: 27 17.564 1.896 0.468 0.563 0.885 0.577 CB 1.316 24 residues pruned to eliminate duplicates Z: 14 29.053 2.129 0.573 0.915 1.000 0.846 CB 1.699 14 residues pruned to eliminate duplicates Z: 24 23.304 1.972 0.643 0.600 0.957 0.652 CB 1.425 24 residues pruned to eliminate duplicates Z: 20 23.487 1.928 0.723 0.718 0.895 0.684 CB 1.489 20 residues pruned to eliminate duplicates Z: 23 23.764 1.988 0.597 0.632 0.955 0.682 CB 1.477 23 residues pruned to eliminate duplicates Z: 23 22.751 1.959 0.696 0.622 0.955 0.727 CB 1.363 23 residues pruned to eliminate duplicates Z: 20 30.227 2.011 0.858 0.727 1.000 0.789 CB 1.513 21 residues pruned to eliminate duplicates Z: 15 39.851 2.105 0.995 0.930 1.000 0.857 CB 1.773 18 residues pruned to eliminate duplicates Z: 14 28.290 2.188 0.527 0.923 0.923 0.923 CB 1.788 14 residues pruned to eliminate duplicates Z: 20 25.204 2.040 0.675 0.689 0.947 0.632 CB 1.502 20 residues pruned to eliminate duplicates Z: 44 32.298 1.952 0.576 0.707 0.977 0.698 CB 1.357 44 residues pruned to eliminate duplicates Z: 33 25.353 1.937 0.714 0.578 0.844 0.469 CB 1.484 33 residues pruned to eliminate duplicates Z: 23 25.414 1.975 0.830 0.628 0.955 0.636 CB 1.392 23 residues pruned to eliminate duplicates Z: 22 25.979 2.034 0.873 0.609 0.857 0.571 CB 1.566 22 residues pruned to eliminate duplicates Z: 43 35.870 1.966 0.711 0.708 0.976 0.690 CB 1.395 43 residues pruned to eliminate duplicates Z: 27 18.615 1.935 0.783 0.479 0.731 0.346 CB 1.479 27 residues pruned to eliminate duplicates Z: 23 28.218 1.980 0.868 0.629 1.000 0.773 CB 1.441 19 residues pruned to eliminate duplicates Z: 9 6.707 1.281 0.999 0.455 1.000 0.375 O 0.970 9 residues pruned to eliminate duplicates Z: 25 20.849 1.948 0.415 0.653 0.917 0.708 CB 1.461 25 residues pruned to eliminate duplicates Z: 25 19.045 1.907 0.549 0.677 0.917 0.583 CB 1.220 25 residues pruned to eliminate duplicates Z: 41 30.182 1.947 0.788 0.655 0.975 0.700 CB 1.217 41 residues pruned to eliminate duplicates Z: 37 29.153 1.963 0.804 0.669 0.833 0.500 CB 1.408 39 residues pruned to eliminate duplicates Z: 26 21.836 1.853 0.429 0.861 1.000 0.760 CB 1.212 25 residues pruned to eliminate duplicates Z: 27 17.744 1.806 0.426 0.832 0.962 0.654 CB 1.055 27 residues pruned to eliminate duplicates Z: 18 16.843 1.903 0.566 0.762 0.941 0.765 CB 1.153 18 residues pruned to eliminate duplicates Z: 17 23.696 1.956 0.633 0.851 0.938 0.625 CB 1.464 17 residues pruned to eliminate duplicates Z: 16 22.263 1.959 0.660 0.849 1.000 0.733 CB 1.310 16 residues pruned to eliminate duplicates Z: 18 17.695 1.914 0.590 0.795 0.882 0.765 CB 1.234 18 residues pruned to eliminate duplicates Z: 13 21.103 2.004 0.805 0.839 1.000 0.500 CB 1.258 13 residues pruned to eliminate duplicates Z: 12 22.568 2.032 0.843 0.875 0.909 0.818 CB 1.454 12 residues pruned to eliminate duplicates Z: 45 33.189 1.934 0.821 0.682 0.932 0.727 CB 1.290 43 residues pruned to eliminate duplicates Z: 27 20.378 1.796 0.422 0.842 0.962 0.654 CB 1.212 27 residues pruned to eliminate duplicates Z: 16 25.225 2.076 0.539 0.898 1.000 1.000 CB 1.458 16 residues pruned to eliminate duplicates Z: 19 23.392 1.969 0.670 0.872 0.944 0.833 CB 1.294 19 residues pruned to eliminate duplicates Z: 20 20.953 1.918 0.626 0.813 0.895 0.684 CB 1.311 20 residues pruned to eliminate duplicates Z: 18 23.668 1.966 0.583 0.857 1.000 0.824 CB 1.360 18 residues pruned to eliminate duplicates Z: 25 20.287 1.948 0.441 0.732 0.958 0.625 CB 1.250 25 residues pruned to eliminate duplicates Z: 20 25.593 1.971 0.668 0.912 1.000 0.947 CB 1.265 20 residues pruned to eliminate duplicates Z: 28 21.382 1.933 0.573 0.641 0.963 0.556 CB 1.231 28 residues pruned to eliminate duplicates Z: 21 23.053 1.882 0.618 0.839 1.000 0.600 CB 1.265 21 residues pruned to eliminate duplicates Z: 28 18.636 1.830 0.474 0.664 0.926 0.593 CB 1.235 28 residues pruned to eliminate duplicates Z: 29 17.546 1.747 0.507 0.625 0.857 0.571 CB 1.306 29 residues pruned to eliminate duplicates Z: 24 20.648 1.879 0.516 0.811 0.870 0.739 CB 1.327 24 residues pruned to eliminate duplicates Z: 25 21.027 1.878 0.531 0.793 0.875 0.667 CB 1.320 25 residues pruned to eliminate duplicates Z: 6 5.067 1.425 0.613 0.391 1.000 0.800 CB 1.106 5 residues pruned to eliminate duplicates Z: 16 15.794 1.705 0.571 0.842 0.933 0.733 CB 1.215 15 residues pruned to eliminate duplicates Z: 14 14.569 1.734 0.548 0.848 1.000 0.769 CB 1.117 14 residues pruned to eliminate duplicates Z: 16 13.523 1.689 0.583 0.798 0.867 0.733 CB 1.160 16 residues pruned to eliminate duplicates Z: 17 13.469 1.754 0.575 0.817 0.875 0.688 CB 1.058 17 residues pruned to eliminate duplicates Z: 16 15.075 1.753 0.542 0.855 0.933 0.733 CB 1.139 16 residues pruned to eliminate duplicates Z: 15 16.224 1.773 0.598 0.888 0.929 0.786 CB 1.188 15 residues pruned to eliminate duplicates Z: 17 15.707 1.718 0.548 0.846 0.938 0.688 CB 1.170 17 residues pruned to eliminate duplicates Z: 14 15.223 1.782 0.662 0.854 0.923 0.538 CB 1.141 14 residues pruned to eliminate duplicates Z: 14 12.204 1.704 0.557 0.788 0.846 0.769 CB 1.171 14 residues pruned to eliminate duplicates Z: 16 13.224 1.745 0.607 0.815 0.867 0.600 CB 1.068 16 residues pruned to eliminate duplicates Z: 38 15.086 1.705 0.479 0.626 0.865 0.622 CB 1.010 36 residues pruned to eliminate duplicates Z: 16 16.726 1.765 0.621 0.897 0.933 0.800 CB 1.158 16 residues pruned to eliminate duplicates Z: 17 11.299 1.726 0.528 0.763 0.875 0.438 CB 0.969 17 residues pruned to eliminate duplicates Z: 16 15.394 1.759 0.680 0.877 0.933 0.667 CB 1.046 16 residues pruned to eliminate duplicates Z: 35 14.447 1.692 0.478 0.556 0.912 0.559 CB 1.028 35 residues pruned to eliminate duplicates Z: 17 13.275 1.714 0.540 0.806 0.938 0.250 CB 1.027 17 residues pruned to eliminate duplicates Z: 37 14.208 1.674 0.510 0.655 0.861 0.444 CB 0.942 37 residues pruned to eliminate duplicates Z: 19 10.937 1.661 0.421 0.670 0.889 0.611 CB 1.050 19 residues pruned to eliminate duplicates Z: 15 8.515 1.621 0.450 0.544 0.929 0.643 CB 0.999 15 residues pruned to eliminate duplicates Z: 9 4.659 1.671 0.324 0.370 0.875 0.375 CB 0.979 9 residues pruned to eliminate duplicates Z: 25 14.559 1.743 0.657 0.630 0.833 0.667 CB 1.093 25 residues pruned to eliminate duplicates Z: 10 6.460 1.713 0.246 0.666 0.778 0.778 CB 1.112 10 residues pruned to eliminate duplicates Z: 22 10.988 1.660 0.433 0.551 0.905 0.571 CB 1.060 21 residues pruned to eliminate duplicates Z: 8 11.706 1.795 0.562 0.852 1.000 0.857 CB 1.167 8 residues pruned to eliminate duplicates Z: 7 6.879 1.561 0.768 0.608 1.000 0.667 CB 0.919 7 residues pruned to eliminate duplicates Z: 18 12.195 1.652 0.721 0.661 0.882 0.647 CB 1.015 18 residues pruned to eliminate duplicates Z: 10 11.367 1.746 0.626 0.682 0.889 0.556 CB 1.270 10 residues pruned to eliminate duplicates Z: 16 11.570 1.688 0.673 0.620 0.933 0.600 CB 1.012 22 residues pruned to eliminate duplicates Z: 11 14.210 1.689 0.899 0.833 0.900 0.500 CB 1.168 12 residues pruned to eliminate duplicates Z: 11 14.696 1.713 0.905 0.852 0.900 0.500 CB 1.171 11 residues pruned to eliminate duplicates 449 residues left after pruning, divided into chains as follows: A: 6 B: 11 C: 18 D: 16 E: 7 F: 8 G: 14 H: 43 I: 52 J: 69 K: 9 L: 18 M: 30 N: 65 O: 51 P: 32 CC for partial structure against native data = 42.38 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.299, Contrast = 0.494, Connect. = 0.719 for dens.mod. cycle 1 = 0.299, Contrast = 0.566, Connect. = 0.745 for dens.mod. cycle 2 = 0.299, Contrast = 0.669, Connect. = 0.770 for dens.mod. cycle 3 = 0.299, Contrast = 0.680, Connect. = 0.771 for dens.mod. cycle 4 = 0.299, Contrast = 0.690, Connect. = 0.772 for dens.mod. cycle 5 = 0.299, Contrast = 0.692, Connect. = 0.773 for dens.mod. cycle 6 = 0.299, Contrast = 0.695, Connect. = 0.774 for dens.mod. cycle 7 = 0.299, Contrast = 0.695, Connect. = 0.775 for dens.mod. cycle 8 = 0.299, Contrast = 0.695, Connect. = 0.776 for dens.mod. cycle 9 = 0.299, Contrast = 0.694, Connect. = 0.776 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1730 peaks > 0.5 sigma used to seed fragment search Space for about 738 unique residues taking solvent into account 469 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 26.317 1.938 0.769 0.842 0.875 0.750 N 1.634 B: 16 26.173 1.964 0.917 0.888 0.867 0.733 CB 1.492 16 residues pruned to eliminate duplicates C: 13 14.389 1.752 0.884 0.882 0.917 0.917 CB 0.994 D: 16 20.144 1.914 0.524 0.852 0.867 0.733 CB 1.522 16 residues pruned to eliminate duplicates E: 27 31.048 2.106 0.377 0.873 1.000 0.846 CB 1.530 F: 17 25.953 1.913 0.788 0.891 0.875 0.688 N 1.557 16 residues pruned to eliminate duplicates G: 24 18.204 1.897 0.239 0.887 0.957 0.870 CB 1.217 H: 27 32.419 2.084 0.608 0.839 1.000 0.769 CB 1.418 27 residues pruned to eliminate duplicates I: 16 24.524 1.851 0.657 0.886 1.000 0.733 CB 1.490 J: 28 29.877 2.053 0.656 0.830 0.926 0.704 CB 1.374 27 residues pruned to eliminate duplicates K: 10 10.899 1.796 0.208 0.841 1.000 0.778 CB 1.248 L: 16 27.601 1.989 0.822 0.882 0.867 0.667 N 1.642 16 residues pruned to eliminate duplicates M: 26 34.067 2.076 0.778 0.861 1.000 0.640 CB 1.356 27 residues pruned to eliminate duplicates N: 21 22.664 1.913 0.510 0.901 1.000 0.850 CB 1.253 22 residues pruned to eliminate duplicates O: 12 20.504 1.838 1.000 0.890 1.000 1.000 CB 1.210 13 residues pruned to eliminate duplicates P: 9 14.222 1.948 0.250 0.869 1.000 0.750 CB 1.508 Q: 8 14.771 2.013 0.372 0.881 1.000 0.857 N 1.464 8 residues pruned to eliminate duplicates R: 15 15.956 2.100 0.026 0.843 1.000 0.857 CB 1.473 15 residues pruned to eliminate duplicates S: 22 19.369 1.904 0.479 0.862 0.952 0.857 CB 1.157 22 residues pruned to eliminate duplicates T: 8 15.135 2.108 0.238 0.896 1.000 0.857 CB 1.570 8 residues pruned to eliminate duplicates U: 16 28.330 1.977 0.946 0.867 1.000 0.600 CB 1.391 17 residues pruned to eliminate duplicates V: 27 27.028 1.966 0.471 0.828 1.000 0.769 CB 1.381 27 residues pruned to eliminate duplicates W: 10 16.459 1.942 0.746 0.863 1.000 0.778 CB 1.187 X: 27 35.396 2.088 0.680 0.873 1.000 0.923 CB 1.441 26 residues pruned to eliminate duplicates Y: 16 23.377 1.824 0.786 0.911 1.000 0.733 CB 1.313 Z: 28 37.154 2.081 0.684 0.850 1.000 0.778 CB 1.512 28 residues pruned to eliminate duplicates Z: 15 30.241 2.083 0.587 0.915 1.000 0.857 CB 1.728 15 residues pruned to eliminate duplicates Z: 18 28.865 1.903 0.944 0.942 1.000 0.941 CB 1.313 Z: 25 22.161 1.829 0.508 0.859 0.917 0.833 CB 1.316 23 residues pruned to eliminate duplicates Z: 18 30.160 1.881 1.215 0.930 1.000 0.647 CB 1.228 18 residues pruned to eliminate duplicates Z: 7 14.463 2.007 0.458 0.889 1.000 0.833 CB 1.454 7 residues pruned to eliminate duplicates Z: 16 24.778 1.848 0.762 0.911 1.000 0.800 CB 1.393 16 residues pruned to eliminate duplicates Z: 27 33.319 2.103 0.546 0.866 1.000 0.885 CB 1.472 27 residues pruned to eliminate duplicates Z: 17 23.114 1.890 0.704 0.904 1.000 0.812 CB 1.278 17 residues pruned to eliminate duplicates Z: 27 33.234 2.078 0.628 0.860 0.962 0.769 CB 1.474 27 residues pruned to eliminate duplicates Z: 9 19.034 2.038 0.498 0.905 1.000 1.000 CB 1.568 9 residues pruned to eliminate duplicates Z: 15 21.828 1.866 0.850 0.883 0.929 0.714 CB 1.316 Z: 16 24.260 1.972 0.469 0.885 0.933 0.800 CA 1.672 15 residues pruned to eliminate duplicates Z: 13 6.413 1.641 0.338 0.807 1.000 0.833 CB 0.645 Z: 17 21.874 1.819 0.614 0.890 0.938 0.812 CB 1.430 Z: 17 27.616 1.873 0.954 0.902 1.000 0.812 CB 1.345 16 residues pruned to eliminate duplicates Z: 15 27.606 2.103 0.517 0.930 0.929 0.857 CB 1.741 15 residues pruned to eliminate duplicates Z: 15 33.104 2.048 1.162 0.936 0.929 0.643 CB 1.498 17 residues pruned to eliminate duplicates Z: 17 24.189 1.911 0.805 0.867 0.938 0.875 CB 1.367 18 residues pruned to eliminate duplicates Z: 37 18.903 1.979 0.452 0.464 0.889 0.528 CB 1.279 10 residues pruned to eliminate duplicates Z: 14 23.644 2.005 0.656 0.933 1.000 0.769 CB 1.378 14 residues pruned to eliminate duplicates Z: 27 32.578 2.091 0.598 0.868 0.962 0.769 CB 1.453 27 residues pruned to eliminate duplicates Z: 14 20.175 1.793 0.810 0.893 1.000 0.692 CB 1.238 14 residues pruned to eliminate duplicates Z: 19 25.663 1.839 0.857 0.887 1.000 0.778 CB 1.277 17 residues pruned to eliminate duplicates Z: 14 26.921 1.902 0.901 0.903 1.000 0.846 CB 1.472 14 residues pruned to eliminate duplicates Z: 11 15.896 1.830 0.538 0.916 1.000 1.000 CB 1.262 Z: 18 22.938 1.862 0.561 0.938 1.000 0.882 CB 1.330 18 residues pruned to eliminate duplicates Z: 27 32.669 2.091 0.568 0.883 1.000 0.885 CB 1.413 27 residues pruned to eliminate duplicates Z: 17 27.626 1.816 0.958 0.841 0.938 0.750 CB 1.545 17 residues pruned to eliminate duplicates Z: 8 9.940 1.940 0.795 0.597 0.857 0.571 CB 1.148 Z: 16 23.024 1.716 1.111 0.925 0.933 0.733 CB 1.234 15 residues pruned to eliminate duplicates Z: 17 9.871 1.767 0.565 0.356 0.938 0.438 CB 1.112 8 residues pruned to eliminate duplicates Z: 15 20.809 2.022 0.567 0.895 0.929 0.714 CB 1.355 15 residues pruned to eliminate duplicates Z: 8 11.597 1.881 0.380 0.793 1.000 0.857 CB 1.306 Z: 40 18.639 1.898 0.520 0.484 0.846 0.590 CB 1.243 9 residues pruned to eliminate duplicates Z: 16 28.248 1.859 0.829 0.906 1.000 0.800 CB 1.526 16 residues pruned to eliminate duplicates Z: 6 13.076 1.956 0.315 0.825 1.000 1.000 CB 1.716 Z: 17 19.277 1.711 0.735 0.847 0.938 0.688 N 1.286 11 residues pruned to eliminate duplicates Z: 10 7.337 1.712 0.475 0.842 0.778 0.556 CB 0.928 10 residues pruned to eliminate duplicates Z: 7 9.457 1.880 0.402 0.646 1.000 1.000 CB 1.278 Z: 11 12.645 1.988 0.785 0.419 0.800 0.400 N 1.532 Z: 12 12.774 1.645 0.708 0.845 1.000 0.636 CB 1.019 Z: 15 24.193 1.934 0.752 0.928 1.000 0.857 CB 1.337 15 residues pruned to eliminate duplicates Z: 14 8.316 1.830 0.595 0.445 0.846 0.615 CB 0.988 14 residues pruned to eliminate duplicates Z: 9 12.178 1.789 0.303 0.884 1.000 1.000 CB 1.334 7 residues pruned to eliminate duplicates Z: 17 15.880 1.804 0.616 0.912 1.000 0.938 CB 0.964 13 residues pruned to eliminate duplicates Z: 10 10.327 1.744 0.171 0.836 1.000 0.667 CB 1.261 10 residues pruned to eliminate duplicates Z: 15 22.439 1.855 0.734 0.912 0.929 0.786 CB 1.422 14 residues pruned to eliminate duplicates Z: 28 33.752 2.052 0.719 0.837 1.000 0.704 CB 1.377 28 residues pruned to eliminate duplicates Z: 20 14.732 1.794 0.728 0.604 0.947 0.684 CB 1.043 19 residues pruned to eliminate duplicates Z: 22 17.722 1.779 0.652 0.583 0.905 0.524 CB 1.343 10 residues pruned to eliminate duplicates Z: 12 14.649 1.909 0.586 0.547 1.000 0.545 CB 1.393 17 residues pruned to eliminate duplicates Z: 17 36.478 1.886 1.294 0.935 1.000 0.750 CB 1.469 18 residues pruned to eliminate duplicates Z: 26 37.011 2.072 0.754 0.902 1.000 0.880 CB 1.453 27 residues pruned to eliminate duplicates Z: 13 12.072 1.686 0.544 0.759 0.833 0.667 CB 1.275 13 residues pruned to eliminate duplicates Z: 28 31.306 2.050 0.403 0.871 1.000 0.889 CB 1.529 28 residues pruned to eliminate duplicates Z: 17 17.056 1.776 0.424 0.870 1.000 0.625 CB 1.231 17 residues pruned to eliminate duplicates Z: 11 14.801 1.691 0.718 0.859 1.000 0.600 CB 1.186 12 residues pruned to eliminate duplicates Z: 11 13.590 1.694 0.425 0.870 1.000 0.900 CB 1.300 11 residues pruned to eliminate duplicates Z: 14 22.599 1.971 0.655 0.885 1.000 0.923 CB 1.387 14 residues pruned to eliminate duplicates Z: 13 7.818 1.802 0.348 0.466 0.750 0.500 CB 1.282 13 residues pruned to eliminate duplicates Z: 12 13.576 1.752 0.479 0.834 1.000 0.727 CB 1.184 12 residues pruned to eliminate duplicates Z: 7 11.838 2.019 0.339 0.892 0.833 0.833 CA 1.541 7 residues pruned to eliminate duplicates Z: 17 24.932 1.922 0.669 0.922 1.000 1.000 CB 1.366 16 residues pruned to eliminate duplicates Z: 11 20.060 1.865 0.750 0.909 1.000 0.900 CB 1.380 11 residues pruned to eliminate duplicates Z: 10 17.816 1.954 0.588 0.852 1.000 0.778 CB 1.416 9 residues pruned to eliminate duplicates Z: 10 12.976 1.732 0.550 0.913 1.000 0.889 CB 1.141 10 residues pruned to eliminate duplicates Z: 15 23.931 1.886 0.634 0.914 1.000 0.857 CB 1.467 15 residues pruned to eliminate duplicates Z: 8 16.209 2.063 0.571 0.872 1.000 1.000 CB 1.378 8 residues pruned to eliminate duplicates Z: 15 14.230 1.857 0.399 0.667 1.000 0.714 CB 1.254 12 residues pruned to eliminate duplicates Z: 10 15.273 1.741 0.745 0.887 0.889 0.778 CB 1.359 10 residues pruned to eliminate duplicates Z: 35 14.359 1.825 0.585 0.453 0.824 0.588 CB 1.085 35 residues pruned to eliminate duplicates Z: 11 16.979 1.766 0.662 0.910 1.000 0.800 CB 1.298 11 residues pruned to eliminate duplicates Z: 18 27.188 1.826 0.927 0.870 1.000 0.941 CB 1.368 18 residues pruned to eliminate duplicates Z: 12 10.554 1.672 0.720 0.810 0.909 0.818 CB 0.929 12 residues pruned to eliminate duplicates Z: 27 23.455 2.042 0.111 0.876 0.962 0.885 CB 1.532 27 residues pruned to eliminate duplicates Z: 39 21.106 1.975 0.604 0.443 0.895 0.526 CB 1.280 38 residues pruned to eliminate duplicates Z: 23 11.569 1.781 0.580 0.403 0.909 0.545 CB 1.068 11 residues pruned to eliminate duplicates Z: 37 18.629 1.927 0.518 0.432 0.917 0.611 CB 1.242 31 residues pruned to eliminate duplicates Z: 15 15.870 1.654 0.556 0.753 0.929 0.643 CB 1.416 15 residues pruned to eliminate duplicates Z: 15 28.869 1.943 0.851 0.936 1.000 0.929 CB 1.494 16 residues pruned to eliminate duplicates Z: 9 9.802 1.526 0.570 0.836 1.000 0.750 CA 1.083 9 residues pruned to eliminate duplicates Z: 27 32.387 2.095 0.607 0.892 1.000 0.885 CB 1.355 27 residues pruned to eliminate duplicates Z: 22 18.650 1.896 0.485 0.852 0.905 0.762 CB 1.181 22 residues pruned to eliminate duplicates Z: 7 4.982 1.886 -0.048 0.429 1.000 0.667 CB 1.219 7 residues pruned to eliminate duplicates Z: 18 27.349 1.873 0.868 0.924 1.000 0.882 CB 1.332 18 residues pruned to eliminate duplicates Z: 18 27.919 1.840 1.145 0.918 0.941 0.588 CB 1.286 18 residues pruned to eliminate duplicates Z: 19 20.343 1.815 0.711 0.866 0.944 0.778 CB 1.196 19 residues pruned to eliminate duplicates Z: 17 25.003 1.847 0.725 0.925 1.000 0.938 CB 1.377 17 residues pruned to eliminate duplicates Z: 15 16.453 1.742 0.636 0.882 1.000 0.714 CB 1.116 Z: 15 17.639 1.768 0.579 0.902 1.000 0.929 CB 1.205 14 residues pruned to eliminate duplicates Z: 16 24.115 1.813 0.945 0.879 0.933 0.800 CA 1.372 16 residues pruned to eliminate duplicates Z: 15 7.706 1.595 0.778 0.435 0.786 0.714 CB 0.989 10 residues pruned to eliminate duplicates Z: 11 12.616 1.630 0.658 0.902 0.900 0.800 CB 1.170 10 residues pruned to eliminate duplicates Z: 9 5.410 1.687 0.203 0.425 0.750 0.500 CB 1.358 Z: 14 14.494 1.733 0.473 0.848 1.000 0.923 CB 1.168 14 residues pruned to eliminate duplicates Z: 18 26.894 1.874 0.966 0.864 1.000 0.529 CB 1.298 18 residues pruned to eliminate duplicates Z: 12 14.622 1.788 0.738 0.882 1.000 0.909 CB 1.026 12 residues pruned to eliminate duplicates Z: 37 20.293 1.951 0.543 0.455 0.889 0.556 CB 1.325 37 residues pruned to eliminate duplicates Z: 8 13.430 1.966 0.648 0.835 0.857 0.571 CB 1.370 8 residues pruned to eliminate duplicates Z: 8 18.029 2.005 0.980 0.847 1.000 0.714 CB 1.275 8 residues pruned to eliminate duplicates Z: 11 6.931 1.635 0.740 0.531 0.800 0.500 CB 0.934 11 residues pruned to eliminate duplicates Z: 12 10.415 1.807 0.284 0.846 0.909 0.818 CB 1.106 12 residues pruned to eliminate duplicates Z: 14 22.556 1.965 0.749 0.895 0.923 0.846 CB 1.413 14 residues pruned to eliminate duplicates Z: 19 22.101 1.779 0.725 0.907 1.000 0.833 CB 1.207 18 residues pruned to eliminate duplicates Z: 21 29.388 1.945 0.972 0.716 0.950 0.550 CB 1.482 18 residues pruned to eliminate duplicates Z: 15 18.093 1.704 0.873 0.882 1.000 0.643 CB 1.096 15 residues pruned to eliminate duplicates Z: 26 30.782 2.067 0.502 0.891 1.000 0.880 CB 1.425 26 residues pruned to eliminate duplicates Z: 16 15.878 1.815 0.391 0.873 0.933 0.533 CB 1.268 16 residues pruned to eliminate duplicates Z: 18 17.113 1.764 0.421 0.883 1.000 0.706 CB 1.197 18 residues pruned to eliminate duplicates Z: 25 13.079 1.794 0.571 0.505 0.750 0.542 CB 1.257 25 residues pruned to eliminate duplicates Z: 16 20.697 1.841 0.431 0.901 1.000 0.933 CB 1.448 16 residues pruned to eliminate duplicates Z: 26 20.353 1.841 0.552 0.845 1.000 0.760 CB 1.059 26 residues pruned to eliminate duplicates Z: 27 22.960 1.804 0.495 0.835 0.962 0.769 CB 1.301 27 residues pruned to eliminate duplicates Z: 12 10.658 1.899 0.905 0.429 0.727 0.636 CB 1.315 12 residues pruned to eliminate duplicates Z: 9 12.799 1.765 0.743 0.725 0.875 0.750 CA 1.373 10 residues pruned to eliminate duplicates Z: 11 18.840 1.900 0.785 0.833 1.000 0.800 CB 1.318 11 residues pruned to eliminate duplicates Z: 28 27.030 2.040 0.538 0.801 0.926 0.704 CB 1.376 28 residues pruned to eliminate duplicates Z: 20 11.907 1.932 0.379 0.470 0.737 0.421 CB 1.434 20 residues pruned to eliminate duplicates Z: 13 12.302 1.969 0.526 0.467 0.917 0.833 CB 1.333 13 residues pruned to eliminate duplicates Z: 13 7.421 1.577 0.177 0.787 0.833 0.750 CB 1.076 11 residues pruned to eliminate duplicates Z: 15 16.939 1.768 0.616 0.887 1.000 0.714 CB 1.142 15 residues pruned to eliminate duplicates Z: 10 4.795 1.736 0.301 0.388 0.667 0.556 CB 1.195 Z: 8 14.414 1.934 0.497 0.853 1.000 0.714 CB 1.390 8 residues pruned to eliminate duplicates 6 1.429 1.529 -0.197 0.679 0.800 0.800 CB 0.551 ? Z: 10 13.144 1.918 0.774 0.911 1.000 0.889 CB 0.913 10 residues pruned to eliminate duplicates Z: 19 24.499 1.822 0.768 0.905 1.000 0.722 CB 1.276 19 residues pruned to eliminate duplicates Z: 24 13.828 1.949 0.449 0.475 0.870 0.609 CB 1.205 25 residues pruned to eliminate duplicates Z: 8 10.181 1.689 0.701 0.739 1.000 0.857 CB 1.081 Z: 6 5.775 1.716 0.266 0.531 1.000 0.600 CB 1.154 Z: 27 30.904 2.051 0.738 0.870 1.000 0.692 CB 1.241 27 residues pruned to eliminate duplicates Z: 18 15.511 1.722 0.652 0.906 0.882 0.765 CB 1.066 18 residues pruned to eliminate duplicates Z: 52 20.438 1.926 0.552 0.510 0.804 0.490 CB 1.179 54 residues pruned to eliminate duplicates Z: 15 25.133 1.899 0.726 0.922 1.000 0.929 CB 1.441 15 residues pruned to eliminate duplicates Z: 16 21.278 1.695 0.742 0.887 0.933 0.800 CA 1.438 16 residues pruned to eliminate duplicates Z: 12 18.885 1.816 0.671 0.906 1.000 0.909 CB 1.335 12 residues pruned to eliminate duplicates Z: 10 5.452 1.531 0.682 0.365 0.667 0.556 N 1.225 Z: 9 8.894 1.749 0.446 0.398 1.000 0.375 CB 1.384 Z: 16 18.237 1.868 0.483 0.864 0.867 0.733 CB 1.437 16 residues pruned to eliminate duplicates Z: 17 28.229 1.861 1.137 0.902 1.000 0.688 CB 1.266 17 residues pruned to eliminate duplicates Z: 26 24.357 1.832 0.531 0.889 1.000 0.920 CB 1.250 26 residues pruned to eliminate duplicates Z: 70 29.969 1.869 0.663 0.525 0.884 0.565 CB 1.281 70 residues pruned to eliminate duplicates Z: 26 27.209 2.041 0.333 0.861 1.000 0.840 CB 1.469 25 residues pruned to eliminate duplicates Z: 17 13.771 1.737 0.539 0.795 0.875 0.750 CB 1.137 17 residues pruned to eliminate duplicates Z: 16 19.475 1.879 0.429 0.835 0.933 0.733 O 1.503 16 residues pruned to eliminate duplicates Z: 11 3.948 1.498 0.540 0.384 0.700 0.400 CB 0.875 Z: 12 8.285 1.740 0.308 0.476 1.000 0.636 CB 1.125 12 residues pruned to eliminate duplicates Z: 6 11.811 1.784 0.815 0.675 1.000 0.800 CB 1.389 Z: 15 11.925 1.772 0.776 0.555 0.929 0.786 CB 1.034 15 residues pruned to eliminate duplicates Z: 11 11.733 1.664 0.598 0.894 1.000 0.500 CB 1.001 11 residues pruned to eliminate duplicates Z: 10 4.340 1.568 0.584 0.333 0.778 0.556 CB 0.899 10 residues pruned to eliminate duplicates Z: 13 9.757 1.601 0.501 0.513 0.833 0.333 CB 1.389 11 residues pruned to eliminate duplicates Z: 16 12.482 1.679 0.716 0.855 0.800 0.400 CB 1.032 16 residues pruned to eliminate duplicates Z: 9 3.344 1.696 0.376 0.908 1.000 0.750 CB 0.360 Z: 10 13.972 1.963 0.631 0.770 0.889 0.667 CB 1.288 10 residues pruned to eliminate duplicates Z: 21 18.628 2.019 0.521 0.539 0.950 0.550 CB 1.374 21 residues pruned to eliminate duplicates Z: 48 21.622 1.863 0.560 0.476 0.894 0.596 CB 1.245 48 residues pruned to eliminate duplicates Z: 10 13.879 1.646 0.763 0.880 1.000 0.667 CB 1.156 10 residues pruned to eliminate duplicates Z: 11 13.810 1.950 0.846 0.773 0.900 0.700 CB 1.059 11 residues pruned to eliminate duplicates Z: 15 28.019 1.909 0.938 0.926 1.000 0.857 CB 1.419 15 residues pruned to eliminate duplicates Z: 6 3.504 1.600 0.418 0.328 0.800 0.600 CB 1.043 Z: 8 7.641 1.773 0.475 0.480 0.857 0.714 CB 1.315 7 residues pruned to eliminate duplicates Z: 17 13.618 1.694 0.416 0.818 0.938 0.625 CB 1.149 17 residues pruned to eliminate duplicates Z: 18 18.851 1.786 0.686 0.904 0.941 0.882 CB 1.149 18 residues pruned to eliminate duplicates Z: 14 9.059 1.509 0.822 0.712 0.846 0.615 CB 0.891 14 residues pruned to eliminate duplicates Z: 33 19.424 1.827 0.656 0.463 0.938 0.594 CB 1.258 33 residues pruned to eliminate duplicates Z: 24 20.356 1.852 0.662 0.816 0.913 0.696 CB 1.148 24 residues pruned to eliminate duplicates Z: 8 8.529 1.895 0.344 0.825 0.857 0.571 CB 1.115 8 residues pruned to eliminate duplicates Z: 7 5.464 1.482 0.863 0.866 0.833 0.833 CB 0.710 Z: 24 16.493 1.949 0.461 0.469 0.870 0.435 CB 1.434 24 residues pruned to eliminate duplicates Z: 64 41.041 1.977 0.643 0.722 0.952 0.730 CB 1.367 60 residues pruned to eliminate duplicates Z: 27 16.796 2.005 0.345 0.491 0.923 0.577 CB 1.335 27 residues pruned to eliminate duplicates Z: 10 13.219 1.727 0.769 0.856 0.889 0.556 CB 1.196 11 residues pruned to eliminate duplicates Z: 11 20.534 1.830 0.835 0.917 1.000 0.900 CB 1.365 11 residues pruned to eliminate duplicates Z: 13 17.233 1.669 0.722 0.873 0.917 0.833 CA 1.376 13 residues pruned to eliminate duplicates Z: 16 23.002 1.858 0.508 0.922 1.000 0.933 CB 1.491 16 residues pruned to eliminate duplicates Z: 22 25.489 1.928 0.645 0.904 1.000 0.857 CB 1.248 22 residues pruned to eliminate duplicates Z: 12 22.902 1.893 0.640 0.880 1.000 0.636 CB 1.611 10 residues pruned to eliminate duplicates Z: 16 7.118 1.621 0.566 0.420 0.800 0.400 CB 0.984 8 residues pruned to eliminate duplicates Z: 14 11.542 1.833 0.334 0.895 0.923 0.846 CB 1.016 14 residues pruned to eliminate duplicates Z: 33 17.405 1.948 0.438 0.404 0.938 0.562 CB 1.296 33 residues pruned to eliminate duplicates Z: 11 7.352 1.538 0.472 0.681 0.800 0.500 CB 1.087 11 residues pruned to eliminate duplicates Z: 16 17.029 1.848 0.516 0.793 0.933 0.733 CB 1.300 16 residues pruned to eliminate duplicates Z: 7 15.542 2.042 0.818 0.876 1.000 0.833 CB 1.242 7 residues pruned to eliminate duplicates Z: 20 21.957 1.833 0.660 0.705 1.000 0.684 CB 1.373 18 residues pruned to eliminate duplicates Z: 8 8.043 1.744 0.476 0.425 1.000 0.714 CB 1.277 9 residues pruned to eliminate duplicates Z: 7 12.951 1.693 0.969 0.766 1.000 0.667 CA 1.252 7 residues pruned to eliminate duplicates Z: 13 9.439 1.766 0.214 0.868 0.833 0.583 CB 1.115 12 residues pruned to eliminate duplicates Z: 57 22.862 1.868 0.492 0.472 0.893 0.589 CB 1.262 57 residues pruned to eliminate duplicates Z: 9 9.543 1.630 0.865 0.609 0.875 0.750 O 1.144 9 residues pruned to eliminate duplicates Z: 17 20.928 1.808 0.548 0.943 1.000 0.938 CB 1.295 17 residues pruned to eliminate duplicates Z: 12 10.967 1.578 0.326 0.889 1.000 0.909 CB 1.137 12 residues pruned to eliminate duplicates Z: 7 11.114 1.746 0.721 0.752 1.000 0.833 CB 1.206 7 residues pruned to eliminate duplicates Z: 10 6.662 1.668 0.447 0.434 0.778 0.556 CB 1.266 8 residues pruned to eliminate duplicates Z: 15 16.485 1.845 0.578 0.774 0.929 0.643 CB 1.279 15 residues pruned to eliminate duplicates Z: 13 12.665 1.696 0.563 0.834 1.000 0.750 CB 1.034 13 residues pruned to eliminate duplicates Z: 7 3.547 1.535 0.521 0.249 0.833 0.667 CB 0.994 Z: 17 21.269 1.832 0.969 0.937 1.000 0.812 CB 1.026 17 residues pruned to eliminate duplicates Z: 14 8.795 1.850 0.451 0.503 0.769 0.538 CB 1.179 Z: 16 14.508 1.895 0.492 0.910 1.000 0.867 CB 0.939 16 residues pruned to eliminate duplicates Z: 19 26.645 1.803 1.186 0.893 1.000 0.556 CB 1.144 20 residues pruned to eliminate duplicates Z: 8 8.376 1.721 0.587 0.892 1.000 0.714 CB 0.833 8 residues pruned to eliminate duplicates Z: 10 4.974 1.560 0.059 0.786 0.889 0.667 CB 0.877 10 residues pruned to eliminate duplicates Z: 27 31.196 2.046 0.806 0.877 0.962 0.577 CB 1.251 27 residues pruned to eliminate duplicates Z: 15 12.366 1.675 0.616 0.781 0.929 0.571 CB 1.026 15 residues pruned to eliminate duplicates Z: 7 11.831 1.902 0.749 0.768 1.000 1.000 CB 1.145 Z: 8 10.714 1.454 0.741 0.825 1.000 0.857 N 1.207 8 residues pruned to eliminate duplicates Z: 16 19.913 1.817 0.683 0.918 1.000 0.867 CB 1.185 16 residues pruned to eliminate duplicates Z: 8 14.370 1.788 0.730 0.834 1.000 0.714 CB 1.316 8 residues pruned to eliminate duplicates Z: 23 15.969 1.756 0.673 0.627 0.955 0.818 CB 1.078 14 residues pruned to eliminate duplicates Z: 6 3.508 1.505 0.044 0.493 1.000 0.600 CB 1.005 Z: 15 19.012 1.852 0.704 0.877 0.929 0.571 CB 1.259 15 residues pruned to eliminate duplicates Z: 6 3.082 1.328 0.730 0.690 0.800 0.400 CB 0.630 Z: 16 15.752 1.694 0.524 0.916 1.000 0.800 CB 1.113 16 residues pruned to eliminate duplicates Z: 18 24.890 1.889 0.674 0.922 1.000 0.882 CB 1.342 18 residues pruned to eliminate duplicates Z: 17 8.276 1.489 0.583 0.375 0.875 0.375 CB 1.146 15 residues pruned to eliminate duplicates Z: 11 8.707 1.481 0.504 0.744 1.000 0.600 CB 0.994 6 residues pruned to eliminate duplicates Z: 12 13.196 1.779 0.332 0.763 0.909 0.727 N 1.463 12 residues pruned to eliminate duplicates Z: 9 8.602 1.658 0.460 0.830 0.875 0.625 CB 1.079 9 residues pruned to eliminate duplicates Z: 13 16.153 1.734 0.384 0.906 1.000 0.833 CB 1.382 13 residues pruned to eliminate duplicates Z: 17 19.244 1.826 0.422 0.913 0.938 0.625 CB 1.399 17 residues pruned to eliminate duplicates Z: 7 8.900 1.775 0.484 0.590 1.000 0.500 CB 1.265 7 residues pruned to eliminate duplicates Z: 24 16.511 1.975 0.408 0.553 0.913 0.652 CB 1.287 24 residues pruned to eliminate duplicates Z: 14 7.277 1.698 0.593 0.326 0.769 0.462 CB 1.174 15 residues pruned to eliminate duplicates Z: 16 11.643 1.677 0.630 0.600 1.000 0.467 CB 1.000 16 residues pruned to eliminate duplicates Z: 17 27.880 1.881 0.832 0.913 1.000 0.812 CB 1.431 17 residues pruned to eliminate duplicates Z: 8 10.015 1.589 0.830 0.865 1.000 0.714 CB 0.954 7 residues pruned to eliminate duplicates Z: 13 7.277 1.531 0.188 0.811 0.833 0.833 CB 1.058 13 residues pruned to eliminate duplicates Z: 13 13.388 1.680 0.935 0.867 0.917 0.750 CB 0.948 13 residues pruned to eliminate duplicates 6 1.610 1.576 -0.047 0.238 0.800 0.200 CB 0.811 ? Z: 8 3.913 1.384 0.867 0.741 0.714 0.429 CB 0.646 Z: 12 13.533 1.831 0.367 0.906 0.909 0.909 CB 1.275 12 residues pruned to eliminate duplicates Z: 19 11.087 1.654 0.734 0.735 0.778 0.556 CB 0.949 19 residues pruned to eliminate duplicates Z: 31 19.682 1.897 0.586 0.597 0.867 0.533 CB 1.256 31 residues pruned to eliminate duplicates Z: 8 14.296 1.652 0.874 0.808 1.000 0.857 CB 1.334 8 residues pruned to eliminate duplicates Z: 44 19.811 1.848 0.471 0.432 0.860 0.512 CB 1.385 22 residues pruned to eliminate duplicates Z: 8 4.113 1.598 0.760 0.464 0.714 0.429 CB 0.803 Z: 28 33.741 2.082 0.621 0.869 0.963 0.778 CB 1.460 28 residues pruned to eliminate duplicates Z: 7 3.626 1.432 0.677 0.327 0.667 0.167 N 1.118 Z: 11 15.187 1.823 0.498 0.869 1.000 0.900 CB 1.285 11 residues pruned to eliminate duplicates Z: 7 6.669 1.685 0.741 0.462 1.000 0.667 CB 0.964 6 residues pruned to eliminate duplicates Z: 21 21.460 1.880 0.807 0.712 0.950 0.700 CB 1.227 16 residues pruned to eliminate duplicates Z: 8 3.491 1.689 0.018 0.162 1.000 0.286 CB 1.159 Z: 9 4.374 1.538 0.551 0.314 0.750 0.375 CB 1.061 9 residues pruned to eliminate duplicates Z: 14 16.948 1.686 0.798 0.760 0.923 0.692 CB 1.334 14 residues pruned to eliminate duplicates Z: 13 17.950 1.799 0.648 0.885 0.833 0.750 CB 1.515 14 residues pruned to eliminate duplicates Z: 34 19.618 1.920 0.426 0.618 0.879 0.667 CB 1.269 34 residues pruned to eliminate duplicates Z: 12 13.568 1.740 0.597 0.816 0.909 0.727 CB 1.230 12 residues pruned to eliminate duplicates Z: 17 13.566 1.720 0.536 0.616 0.938 0.750 CB 1.227 17 residues pruned to eliminate duplicates Z: 11 6.819 1.774 0.445 0.329 0.800 0.400 CB 1.268 8 residues pruned to eliminate duplicates Z: 11 17.737 1.637 0.973 0.878 1.000 0.800 CB 1.260 11 residues pruned to eliminate duplicates Z: 13 8.512 1.594 0.653 0.674 0.833 0.583 CB 0.953 9 residues pruned to eliminate duplicates Z: 10 18.684 1.868 0.582 0.844 1.000 0.778 CB 1.568 10 residues pruned to eliminate duplicates Z: 22 25.803 1.926 0.672 0.863 0.952 0.857 CB 1.347 22 residues pruned to eliminate duplicates Z: 6 3.942 1.551 -0.103 0.732 1.000 0.400 CB 1.028 Z: 10 19.401 1.849 0.998 0.856 0.889 0.778 CB 1.453 10 residues pruned to eliminate duplicates Z: 10 5.441 1.245 0.584 0.691 1.000 0.556 CB 0.772 Z: 15 12.568 1.761 0.459 0.827 0.929 0.643 CB 1.061 15 residues pruned to eliminate duplicates Z: 8 8.014 1.656 0.476 0.779 1.000 0.571 CB 0.969 8 residues pruned to eliminate duplicates Z: 7 6.010 1.787 0.515 0.432 1.000 0.333 CB 0.972 Z: 9 2.778 1.508 0.689 0.206 0.625 0.500 CB 0.874 Z: 8 2.252 1.292 0.029 0.366 0.714 0.571 O 1.034 Z: 17 15.959 1.835 0.472 0.873 1.000 0.938 CB 1.076 17 residues pruned to eliminate duplicates Z: 26 27.994 2.063 0.382 0.885 1.000 0.880 CB 1.418 26 residues pruned to eliminate duplicates Z: 15 15.241 1.773 0.771 0.640 0.929 0.714 CB 1.225 20 residues pruned to eliminate duplicates Z: 9 9.450 1.632 0.617 0.837 0.875 0.750 CB 1.082 9 residues pruned to eliminate duplicates Z: 6 4.704 1.500 0.514 0.739 1.000 0.600 CB 0.748 6 residues pruned to eliminate duplicates Z: 16 23.914 2.010 0.340 0.906 1.000 1.000 CB 1.630 16 residues pruned to eliminate duplicates Z: 44 23.227 1.909 0.589 0.493 0.907 0.674 CB 1.297 44 residues pruned to eliminate duplicates Z: 8 7.565 1.787 0.264 0.587 1.000 0.714 CB 1.165 10 residues pruned to eliminate duplicates Z: 7 3.387 1.471 -0.030 0.467 0.833 0.500 N 1.204 8 residues pruned to eliminate duplicates Z: 24 14.114 1.835 0.417 0.654 0.870 0.739 CB 1.128 24 residues pruned to eliminate duplicates Z: 10 13.908 1.871 0.853 0.844 1.000 0.889 CB 0.995 10 residues pruned to eliminate duplicates Z: 9 5.632 1.805 0.871 0.858 1.000 0.750 CB 0.434 Z: 19 30.086 1.822 1.207 0.893 1.000 0.667 CB 1.265 19 residues pruned to eliminate duplicates Z: 9 5.637 1.401 0.360 0.671 1.000 0.625 CB 0.893 9 residues pruned to eliminate duplicates Z: 22 11.953 1.671 0.538 0.531 0.857 0.524 CB 1.148 15 residues pruned to eliminate duplicates Z: 14 18.495 1.771 0.688 0.870 0.923 0.846 CB 1.357 14 residues pruned to eliminate duplicates Z: 13 12.231 1.691 0.891 0.860 0.833 0.750 CB 0.974 13 residues pruned to eliminate duplicates Z: 6 3.393 1.519 0.764 0.487 0.800 0.800 CB 0.717 Z: 9 4.689 1.475 0.250 0.558 0.750 0.375 O 1.133 Z: 12 8.437 1.617 0.770 0.500 0.727 0.636 CB 1.222 Z: 11 17.517 1.925 0.814 0.704 0.900 0.600 CB 1.464 11 residues pruned to eliminate duplicates Z: 7 7.946 1.720 0.400 0.807 1.000 0.667 CB 1.031 7 residues pruned to eliminate duplicates Z: 14 9.860 1.798 0.433 0.468 0.846 0.615 CB 1.296 14 residues pruned to eliminate duplicates Z: 17 18.175 1.755 0.494 0.887 0.938 0.375 CB 1.333 17 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 5.283 1.731 0.565 0.482 0.667 0.667 CB 1.216 8 residues pruned to eliminate duplicates Z: 6 3.283 1.511 0.526 0.319 0.800 0.600 CB 0.971 5 residues pruned to eliminate duplicates Z: 10 18.044 1.867 0.596 0.863 1.000 0.778 CB 1.481 9 residues pruned to eliminate duplicates Z: 10 17.047 1.667 0.807 0.879 1.000 1.000 CB 1.368 10 residues pruned to eliminate duplicates Z: 10 17.999 1.653 0.867 0.885 1.000 0.778 CB 1.404 10 residues pruned to eliminate duplicates Z: 11 17.439 1.783 0.875 0.805 0.900 0.900 CB 1.404 11 residues pruned to eliminate duplicates Z: 11 15.562 1.794 0.854 0.753 0.900 0.500 N 1.312 10 residues pruned to eliminate duplicates Z: 9 16.341 1.954 0.933 0.772 0.875 0.750 CB 1.374 9 residues pruned to eliminate duplicates Z: 10 16.118 1.802 1.016 0.654 0.889 0.667 CB 1.442 10 residues pruned to eliminate duplicates Z: 17 12.548 1.725 0.635 0.580 0.812 0.750 CB 1.268 18 residues pruned to eliminate duplicates Z: 7 5.338 1.424 0.455 0.507 1.000 0.333 CA 1.045 7 residues pruned to eliminate duplicates Z: 8 4.204 1.486 0.388 0.532 0.714 0.429 O 1.045 8 residues pruned to eliminate duplicates Z: 7 6.227 1.863 0.039 0.421 1.000 0.667 CB 1.427 7 residues pruned to eliminate duplicates Z: 7 5.222 1.755 0.248 0.239 1.000 0.500 CB 1.317 7 residues pruned to eliminate duplicates Z: 6 2.982 1.463 0.309 0.373 0.800 0.400 N 0.997 5 residues pruned to eliminate duplicates Z: 6 2.938 1.342 1.011 0.322 0.600 0.400 N 0.987 Z: 6 2.140 1.435 -0.120 0.314 0.800 0.600 CB 1.164 6 residues pruned to eliminate duplicates Z: 13 8.066 1.621 0.742 0.448 0.917 0.667 CB 0.949 8 residues pruned to eliminate duplicates Z: 7 4.788 1.606 0.502 0.441 1.000 0.333 CA 0.862 7 residues pruned to eliminate duplicates Z: 14 8.818 1.913 0.560 0.342 0.846 0.462 CB 1.150 14 residues pruned to eliminate duplicates Z: 13 10.267 2.030 0.511 0.419 0.833 0.500 CB 1.262 13 residues pruned to eliminate duplicates Z: 15 11.878 1.954 0.524 0.432 0.857 0.571 CB 1.334 15 residues pruned to eliminate duplicates Z: 15 11.139 1.901 0.626 0.430 0.857 0.571 CB 1.209 16 residues pruned to eliminate duplicates Z: 6 5.697 1.415 0.793 0.416 1.000 0.400 O 1.097 6 residues pruned to eliminate duplicates Z: 16 11.027 1.846 0.610 0.395 0.800 0.533 CB 1.337 16 residues pruned to eliminate duplicates Z: 13 11.610 2.026 0.718 0.465 0.750 0.667 CB 1.332 13 residues pruned to eliminate duplicates Z: 13 11.412 2.009 0.680 0.371 0.750 0.667 CB 1.495 13 residues pruned to eliminate duplicates Z: 16 10.195 1.860 0.711 0.356 0.733 0.533 CB 1.318 16 residues pruned to eliminate duplicates Z: 14 14.207 1.986 0.702 0.454 0.846 0.692 CB 1.444 14 residues pruned to eliminate duplicates Z: 8 5.086 1.373 0.133 0.836 1.000 0.857 CB 0.925 Z: 6 5.752 1.474 0.524 0.880 1.000 1.000 CB 0.829 7 residues pruned to eliminate duplicates Z: 6 5.170 1.390 0.569 0.829 1.000 0.600 CB 0.798 6 residues pruned to eliminate duplicates Z: 11 3.856 1.329 0.379 0.506 1.000 0.600 CB 0.662 11 residues pruned to eliminate duplicates Z: 7 6.045 1.436 0.564 0.822 1.000 0.833 CB 0.831 7 residues pruned to eliminate duplicates Z: 12 18.093 1.833 0.866 0.846 1.000 0.545 CB 1.185 12 residues pruned to eliminate duplicates Z: 12 18.934 1.938 0.863 0.782 0.818 0.727 CA 1.507 12 residues pruned to eliminate duplicates Z: 12 15.061 1.848 0.800 0.730 0.909 0.545 CB 1.221 12 residues pruned to eliminate duplicates Z: 58 24.647 1.851 0.640 0.535 0.877 0.667 CB 1.185 96 residues pruned to eliminate duplicates Z: 13 17.475 1.721 1.009 0.862 1.000 0.750 CB 1.071 13 residues pruned to eliminate duplicates Z: 11 22.384 1.984 1.054 0.867 0.900 0.600 CB 1.412 13 residues pruned to eliminate duplicates Z: 6 3.844 1.642 0.361 0.428 0.800 0.600 CB 1.037 5 residues pruned to eliminate duplicates Z: 15 15.295 1.799 0.734 0.763 1.000 0.786 CB 1.037 14 residues pruned to eliminate duplicates Z: 10 15.309 1.998 0.576 0.910 0.889 0.889 CB 1.293 10 residues pruned to eliminate duplicates Z: 15 12.654 1.869 0.575 0.677 0.857 0.714 CB 1.139 15 residues pruned to eliminate duplicates Z: 22 14.899 1.772 0.453 0.548 1.000 0.762 CB 1.205 24 residues pruned to eliminate duplicates Z: 10 18.887 2.024 0.626 0.886 1.000 0.889 CB 1.380 10 residues pruned to eliminate duplicates Z: 22 16.954 1.812 0.648 0.592 0.905 0.762 CB 1.254 22 residues pruned to eliminate duplicates Z: 29 16.703 1.866 0.439 0.651 0.929 0.786 CB 1.100 32 residues pruned to eliminate duplicates Z: 10 15.130 2.021 0.518 0.842 0.889 0.778 CB 1.378 10 residues pruned to eliminate duplicates Z: 28 17.644 1.789 0.654 0.550 0.889 0.630 CB 1.230 28 residues pruned to eliminate duplicates Z: 23 16.015 1.773 0.593 0.618 0.909 0.636 CB 1.189 23 residues pruned to eliminate duplicates Z: 7 4.755 1.705 0.481 0.604 1.000 0.333 CB 0.696 3 residues pruned to eliminate duplicates Z: 8 8.553 1.709 0.558 0.773 1.000 0.714 CB 0.954 8 residues pruned to eliminate duplicates Z: 31 16.757 1.852 0.455 0.589 0.867 0.667 CB 1.204 31 residues pruned to eliminate duplicates Z: 16 10.203 1.768 0.339 0.645 0.933 0.867 CB 1.041 16 residues pruned to eliminate duplicates Z: 13 4.269 1.628 0.508 0.427 0.833 0.667 CB 0.649 13 residues pruned to eliminate duplicates Z: 30 19.477 1.824 0.643 0.614 0.897 0.655 CB 1.209 30 residues pruned to eliminate duplicates Z: 38 26.248 1.852 0.654 0.673 0.973 0.730 CB 1.234 40 residues pruned to eliminate duplicates Z: 15 21.956 1.932 0.593 0.888 1.000 0.857 CB 1.375 15 residues pruned to eliminate duplicates Z: 18 19.408 1.942 0.769 0.728 0.882 0.706 CB 1.264 18 residues pruned to eliminate duplicates Z: 18 24.433 1.925 0.682 0.744 1.000 0.765 CB 1.471 18 residues pruned to eliminate duplicates Z: 21 21.236 1.912 0.604 0.775 1.000 0.800 CB 1.215 21 residues pruned to eliminate duplicates Z: 27 21.564 1.886 0.619 0.636 0.962 0.577 CB 1.268 27 residues pruned to eliminate duplicates Z: 27 20.117 1.850 0.736 0.591 0.885 0.500 CB 1.272 27 residues pruned to eliminate duplicates Z: 25 21.424 1.878 0.715 0.647 0.958 0.708 CB 1.236 25 residues pruned to eliminate duplicates Z: 16 23.573 1.921 0.804 0.841 0.933 0.667 CB 1.403 16 residues pruned to eliminate duplicates Z: 31 19.956 1.809 0.671 0.627 0.933 0.500 CB 1.145 31 residues pruned to eliminate duplicates Z: 25 24.077 1.882 0.780 0.655 0.958 0.750 CB 1.326 25 residues pruned to eliminate duplicates Z: 30 19.376 1.821 0.734 0.553 0.897 0.448 CB 1.207 30 residues pruned to eliminate duplicates Z: 35 31.306 1.923 0.759 0.706 1.000 0.824 CB 1.316 35 residues pruned to eliminate duplicates Z: 34 28.834 1.926 0.738 0.714 1.000 0.667 CB 1.235 34 residues pruned to eliminate duplicates Z: 34 28.660 1.911 0.824 0.684 0.970 0.727 CB 1.246 34 residues pruned to eliminate duplicates Z: 39 28.521 1.902 0.687 0.705 0.921 0.737 CB 1.299 39 residues pruned to eliminate duplicates Z: 42 31.612 1.862 0.821 0.714 0.951 0.732 CB 1.261 42 residues pruned to eliminate duplicates Z: 43 32.405 1.895 0.732 0.720 0.952 0.738 CB 1.311 43 residues pruned to eliminate duplicates Z: 42 32.725 1.878 0.798 0.740 1.000 0.732 CB 1.220 42 residues pruned to eliminate duplicates Z: 37 29.325 1.899 0.794 0.676 0.972 0.639 CB 1.255 37 residues pruned to eliminate duplicates Z: 40 35.679 1.897 0.897 0.747 0.974 0.667 CB 1.307 40 residues pruned to eliminate duplicates Z: 39 34.973 1.917 0.933 0.715 0.947 0.658 CB 1.330 39 residues pruned to eliminate duplicates Z: 39 35.182 1.832 1.057 0.679 0.974 0.605 CB 1.319 39 residues pruned to eliminate duplicates Z: 40 37.443 1.909 0.914 0.758 1.000 0.744 CB 1.305 40 residues pruned to eliminate duplicates Z: 17 33.003 1.918 1.250 0.891 1.000 0.625 CB 1.375 17 residues pruned to eliminate duplicates Z: 17 36.655 1.939 1.201 0.912 1.000 0.812 CB 1.521 17 residues pruned to eliminate duplicates Z: 52 32.083 1.788 0.910 0.644 0.941 0.627 CB 1.222 52 residues pruned to eliminate duplicates Z: 42 36.977 1.867 1.008 0.742 0.976 0.683 CB 1.271 42 residues pruned to eliminate duplicates Z: 41 39.314 1.919 1.009 0.766 0.975 0.775 CB 1.306 44 residues pruned to eliminate duplicates Z: 17 36.493 1.896 1.391 0.928 1.000 0.688 CB 1.409 17 residues pruned to eliminate duplicates Z: 19 30.542 1.829 1.192 0.902 1.000 0.667 CB 1.281 18 residues pruned to eliminate duplicates Z: 17 19.438 1.847 0.398 0.901 0.938 0.812 CB 1.433 17 residues pruned to eliminate duplicates Z: 17 11.254 1.668 0.528 0.862 0.875 0.812 CB 0.927 17 residues pruned to eliminate duplicates Z: 31 20.234 1.799 0.496 0.603 0.967 0.600 CB 1.287 26 residues pruned to eliminate duplicates Z: 16 15.993 1.844 0.437 0.859 0.800 0.733 CB 1.433 16 residues pruned to eliminate duplicates Z: 55 26.440 1.938 0.515 0.535 0.926 0.593 CB 1.278 56 residues pruned to eliminate duplicates Z: 16 19.033 1.840 0.425 0.881 0.933 0.533 CB 1.454 16 residues pruned to eliminate duplicates Z: 21 17.811 1.860 0.490 0.730 0.950 0.700 CB 1.230 21 residues pruned to eliminate duplicates Z: 16 21.662 1.846 0.584 0.885 1.000 0.400 CB 1.381 21 residues pruned to eliminate duplicates Z: 17 18.638 1.792 0.431 0.875 1.000 0.562 CB 1.322 17 residues pruned to eliminate duplicates Z: 17 15.010 1.759 0.483 0.774 0.938 0.562 CB 1.204 17 residues pruned to eliminate duplicates Z: 59 24.622 1.900 0.509 0.483 0.914 0.517 CB 1.256 59 residues pruned to eliminate duplicates Z: 50 22.395 1.916 0.491 0.521 0.898 0.531 CB 1.221 50 residues pruned to eliminate duplicates Z: 57 27.024 1.937 0.498 0.529 0.946 0.571 CB 1.277 44 residues pruned to eliminate duplicates Z: 7 5.372 1.529 0.534 0.473 0.833 0.500 CB 1.153 Z: 7 2.132 1.338 0.186 0.393 0.833 0.333 N 0.737 Z: 6 4.572 1.492 0.944 0.315 1.000 0.400 CA 0.865 Z: 7 4.746 1.720 0.278 0.418 1.000 0.500 CA 0.960 7 residues pruned to eliminate duplicates Z: 53 22.303 1.910 0.500 0.505 0.846 0.423 CB 1.269 59 residues pruned to eliminate duplicates Z: 26 17.639 2.020 0.507 0.462 0.880 0.400 CB 1.370 26 residues pruned to eliminate duplicates Z: 25 18.092 2.053 0.552 0.506 0.875 0.500 CB 1.316 25 residues pruned to eliminate duplicates Z: 58 27.002 1.924 0.552 0.521 0.912 0.596 CB 1.286 51 residues pruned to eliminate duplicates Z: 8 14.322 1.920 0.891 0.761 0.857 0.714 CB 1.380 8 residues pruned to eliminate duplicates Z: 38 19.905 1.982 0.489 0.447 0.892 0.595 CB 1.313 38 residues pruned to eliminate duplicates Z: 39 23.754 1.944 0.567 0.490 0.921 0.553 CB 1.387 39 residues pruned to eliminate duplicates Z: 50 20.169 1.883 0.534 0.448 0.837 0.469 CB 1.257 50 residues pruned to eliminate duplicates Z: 56 28.217 1.928 0.634 0.521 0.927 0.564 CB 1.276 56 residues pruned to eliminate duplicates Z: 24 20.531 2.019 0.738 0.494 0.913 0.522 CB 1.344 24 residues pruned to eliminate duplicates Z: 52 24.894 1.909 0.582 0.542 0.863 0.549 CB 1.284 52 residues pruned to eliminate duplicates Z: 41 19.454 1.947 0.490 0.431 0.900 0.525 CB 1.266 41 residues pruned to eliminate duplicates Z: 37 23.518 1.999 0.686 0.481 0.889 0.583 CB 1.333 37 residues pruned to eliminate duplicates Z: 23 21.068 2.038 0.681 0.542 0.909 0.591 CB 1.385 23 residues pruned to eliminate duplicates Z: 37 24.628 1.988 0.608 0.486 0.972 0.611 CB 1.339 37 residues pruned to eliminate duplicates Z: 55 27.000 1.926 0.582 0.523 0.926 0.685 CB 1.273 55 residues pruned to eliminate duplicates Z: 39 22.545 1.934 0.693 0.437 0.921 0.526 CB 1.295 39 residues pruned to eliminate duplicates Z: 58 25.553 1.935 0.505 0.510 0.895 0.526 CB 1.286 58 residues pruned to eliminate duplicates Z: 23 23.083 2.048 0.647 0.536 1.000 0.636 CB 1.408 23 residues pruned to eliminate duplicates Z: 58 22.916 1.854 0.542 0.460 0.895 0.579 CB 1.236 58 residues pruned to eliminate duplicates Z: 12 10.621 1.785 0.541 0.659 0.818 0.636 CB 1.228 10 residues pruned to eliminate duplicates Z: 12 13.920 1.761 0.448 0.794 1.000 0.636 CB 1.272 12 residues pruned to eliminate duplicates Z: 26 13.198 1.775 0.569 0.447 0.760 0.280 CB 1.317 26 residues pruned to eliminate duplicates Z: 35 18.687 1.828 0.616 0.484 0.853 0.471 CB 1.293 35 residues pruned to eliminate duplicates Z: 11 15.091 1.813 0.597 0.683 1.000 0.600 CB 1.394 11 residues pruned to eliminate duplicates Z: 12 10.976 1.794 0.421 0.616 0.818 0.455 CB 1.422 12 residues pruned to eliminate duplicates Z: 13 11.525 1.790 0.438 0.559 0.917 0.500 CB 1.332 14 residues pruned to eliminate duplicates Z: 16 10.790 1.498 0.735 0.691 0.800 0.600 CB 1.124 16 residues pruned to eliminate duplicates Z: 22 12.737 1.859 0.542 0.495 0.810 0.381 CB 1.204 22 residues pruned to eliminate duplicates Z: 68 25.317 1.880 0.466 0.478 0.851 0.567 CB 1.349 68 residues pruned to eliminate duplicates Z: 22 11.452 1.745 0.535 0.451 0.857 0.476 CB 1.145 22 residues pruned to eliminate duplicates Z: 22 16.659 1.880 0.531 0.581 0.810 0.571 CB 1.443 22 residues pruned to eliminate duplicates Z: 30 16.660 1.854 0.584 0.450 0.793 0.448 CB 1.399 30 residues pruned to eliminate duplicates Z: 21 13.647 1.809 0.720 0.484 0.800 0.300 CB 1.246 21 residues pruned to eliminate duplicates Z: 6 3.059 1.485 0.740 0.256 0.800 0.400 N 0.875 6 residues pruned to eliminate duplicates Z: 13 9.654 1.899 0.825 0.416 0.750 0.500 CB 1.171 27 residues pruned to eliminate duplicates Z: 11 10.617 1.948 0.783 0.419 0.800 0.500 CB 1.315 11 residues pruned to eliminate duplicates Z: 67 28.646 1.899 0.574 0.507 0.894 0.530 CB 1.310 67 residues pruned to eliminate duplicates Z: 21 17.100 1.884 0.880 0.550 0.800 0.600 CB 1.286 21 residues pruned to eliminate duplicates Z: 15 12.098 1.789 0.719 0.505 0.857 0.500 CB 1.221 15 residues pruned to eliminate duplicates Z: 11 9.008 1.699 0.417 0.632 0.900 0.700 CB 1.162 11 residues pruned to eliminate duplicates Z: 27 12.533 1.756 0.581 0.512 0.808 0.462 CB 1.083 27 residues pruned to eliminate duplicates Z: 13 11.238 1.750 0.525 0.641 1.000 0.583 CB 1.066 13 residues pruned to eliminate duplicates Z: 8 6.415 1.306 0.507 0.846 1.000 0.714 O 0.915 8 residues pruned to eliminate duplicates Z: 43 20.099 1.896 0.475 0.507 0.905 0.667 CB 1.217 21 residues pruned to eliminate duplicates Z: 17 14.534 1.760 0.596 0.768 0.938 0.750 CB 1.089 17 residues pruned to eliminate duplicates Z: 47 21.751 1.894 0.486 0.511 0.957 0.587 CB 1.179 43 residues pruned to eliminate duplicates Z: 14 13.225 1.768 0.517 0.808 0.923 0.846 CB 1.133 14 residues pruned to eliminate duplicates Z: 40 23.327 1.916 0.601 0.557 0.949 0.590 CB 1.215 40 residues pruned to eliminate duplicates Z: 35 18.418 1.867 0.706 0.449 0.882 0.559 CB 1.185 35 residues pruned to eliminate duplicates Z: 47 23.598 1.880 0.618 0.530 0.957 0.609 CB 1.161 47 residues pruned to eliminate duplicates Z: 38 23.838 1.962 0.556 0.509 0.946 0.595 CB 1.344 38 residues pruned to eliminate duplicates Z: 10 8.720 1.893 0.602 0.571 0.889 0.667 CB 1.007 10 residues pruned to eliminate duplicates Z: 43 22.348 1.895 0.585 0.506 0.929 0.548 CB 1.229 43 residues pruned to eliminate duplicates Z: 35 18.425 1.952 0.460 0.432 0.941 0.559 CB 1.265 35 residues pruned to eliminate duplicates Z: 23 11.072 1.767 0.715 0.508 0.909 0.591 CB 0.850 23 residues pruned to eliminate duplicates Z: 39 19.156 1.909 0.505 0.477 0.947 0.579 CB 1.169 39 residues pruned to eliminate duplicates Z: 61 24.710 1.856 0.573 0.501 0.883 0.583 CB 1.236 61 residues pruned to eliminate duplicates Z: 28 14.472 1.866 0.448 0.411 0.852 0.481 CB 1.329 28 residues pruned to eliminate duplicates Z: 44 20.119 1.891 0.484 0.495 0.907 0.465 CB 1.212 44 residues pruned to eliminate duplicates Z: 46 20.624 1.854 0.631 0.471 0.911 0.556 CB 1.149 46 residues pruned to eliminate duplicates Z: 55 24.573 1.921 0.609 0.475 0.870 0.593 CB 1.275 55 residues pruned to eliminate duplicates Z: 39 20.406 1.925 0.551 0.445 0.947 0.579 CB 1.238 37 residues pruned to eliminate duplicates Z: 6 8.842 1.991 0.784 0.403 0.800 0.200 CA 1.541 6 residues pruned to eliminate duplicates Z: 48 22.974 1.845 0.610 0.479 0.936 0.660 CB 1.230 48 residues pruned to eliminate duplicates Z: 34 17.124 1.947 0.562 0.435 0.879 0.394 CB 1.193 34 residues pruned to eliminate duplicates Z: 27 13.228 1.931 0.281 0.432 0.846 0.577 CB 1.330 27 residues pruned to eliminate duplicates Z: 46 20.635 1.867 0.525 0.465 0.889 0.511 CB 1.260 46 residues pruned to eliminate duplicates Z: 49 19.857 1.863 0.566 0.450 0.854 0.583 CB 1.211 49 residues pruned to eliminate duplicates Z: 34 17.155 1.947 0.441 0.457 0.848 0.545 CB 1.310 34 residues pruned to eliminate duplicates Z: 45 23.703 1.935 0.569 0.516 0.932 0.636 CB 1.243 45 residues pruned to eliminate duplicates Z: 36 21.764 1.944 0.555 0.498 0.943 0.571 CB 1.293 36 residues pruned to eliminate duplicates Z: 35 16.982 1.908 0.488 0.408 0.882 0.529 CB 1.280 35 residues pruned to eliminate duplicates Z: 44 22.161 1.925 0.542 0.528 0.884 0.581 CB 1.253 44 residues pruned to eliminate duplicates Z: 34 21.655 1.941 0.649 0.466 0.939 0.636 CB 1.297 34 residues pruned to eliminate duplicates Z: 47 22.280 1.890 0.535 0.512 0.935 0.587 CB 1.198 47 residues pruned to eliminate duplicates Z: 32 16.828 1.951 0.493 0.467 0.806 0.613 CB 1.330 32 residues pruned to eliminate duplicates Z: 60 26.326 1.914 0.634 0.486 0.898 0.559 CB 1.237 60 residues pruned to eliminate duplicates Z: 44 22.147 1.921 0.578 0.488 0.860 0.651 CB 1.310 44 residues pruned to eliminate duplicates Z: 8 4.949 1.707 0.831 0.201 0.714 0.143 CB 1.196 8 residues pruned to eliminate duplicates Z: 37 18.749 1.953 0.562 0.417 0.889 0.528 CB 1.257 37 residues pruned to eliminate duplicates Z: 24 19.384 1.937 0.716 0.473 0.870 0.478 CB 1.436 24 residues pruned to eliminate duplicates Z: 20 15.360 1.860 0.640 0.727 0.947 0.684 CB 0.994 20 residues pruned to eliminate duplicates Z: 16 13.671 1.920 0.376 0.890 1.000 0.867 CB 0.961 16 residues pruned to eliminate duplicates Z: 17 17.592 1.815 0.708 0.920 1.000 0.938 CB 0.999 17 residues pruned to eliminate duplicates Z: 16 15.752 1.918 0.491 0.885 1.000 0.867 CB 1.027 16 residues pruned to eliminate duplicates Z: 18 16.937 1.889 0.603 0.771 1.000 0.647 CB 1.066 18 residues pruned to eliminate duplicates Z: 16 14.874 1.927 0.585 0.916 1.000 0.933 CB 0.888 16 residues pruned to eliminate duplicates Z: 38 24.068 1.818 0.707 0.745 0.973 0.730 CB 1.053 38 residues pruned to eliminate duplicates Z: 18 23.808 1.821 0.891 0.905 0.941 0.824 CB 1.269 18 residues pruned to eliminate duplicates Z: 32 31.433 1.905 1.010 0.784 1.000 0.774 CB 1.149 37 residues pruned to eliminate duplicates Z: 18 23.764 1.842 0.871 0.909 0.941 0.765 CB 1.261 15 residues pruned to eliminate duplicates Z: 19 26.306 1.852 0.746 0.897 1.000 0.667 CB 1.372 17 residues pruned to eliminate duplicates Z: 16 27.994 1.883 0.972 0.918 1.000 0.800 CB 1.374 16 residues pruned to eliminate duplicates Z: 15 26.214 1.860 0.900 0.896 1.000 0.857 CB 1.419 15 residues pruned to eliminate duplicates Z: 38 27.656 1.849 0.719 0.755 0.973 0.622 CB 1.171 38 residues pruned to eliminate duplicates Z: 37 31.912 1.839 0.915 0.799 1.000 0.694 CB 1.163 38 residues pruned to eliminate duplicates Z: 17 27.077 1.849 0.930 0.896 1.000 0.750 CB 1.359 17 residues pruned to eliminate duplicates Z: 17 22.825 1.760 0.999 0.830 1.000 0.562 CB 1.220 16 residues pruned to eliminate duplicates Z: 17 26.505 1.873 0.987 0.904 0.938 0.688 CB 1.353 17 residues pruned to eliminate duplicates Z: 37 27.824 1.855 0.797 0.786 0.972 0.639 CB 1.113 37 residues pruned to eliminate duplicates Z: 17 24.327 1.766 1.123 0.825 1.000 0.750 CB 1.224 17 residues pruned to eliminate duplicates Z: 19 26.599 1.829 0.880 0.913 1.000 0.722 CB 1.290 19 residues pruned to eliminate duplicates Z: 19 30.137 1.859 1.023 0.891 1.000 0.778 CB 1.358 19 residues pruned to eliminate duplicates Z: 19 27.002 1.831 0.921 0.912 1.000 0.833 CB 1.281 19 residues pruned to eliminate duplicates Z: 13 6.730 1.637 0.495 0.303 0.833 0.333 CB 1.186 13 residues pruned to eliminate duplicates Z: 11 10.215 1.685 0.578 0.393 1.000 0.600 CA 1.361 13 residues pruned to eliminate duplicates Z: 6 5.314 1.614 0.416 0.559 1.000 0.400 CB 0.982 6 residues pruned to eliminate duplicates Z: 8 7.426 1.745 0.538 0.420 0.857 0.571 CB 1.325 8 residues pruned to eliminate duplicates Z: 13 11.582 1.781 0.541 0.535 0.917 0.583 CB 1.285 13 residues pruned to eliminate duplicates Z: 12 10.145 1.724 0.563 0.504 0.909 0.636 CB 1.243 12 residues pruned to eliminate duplicates Z: 13 9.488 1.725 0.667 0.430 0.833 0.333 CB 1.229 13 residues pruned to eliminate duplicates Z: 14 7.860 1.717 0.658 0.371 0.769 0.385 CB 1.142 14 residues pruned to eliminate duplicates Z: 9 5.992 1.726 0.460 0.491 0.750 0.375 CB 1.132 9 residues pruned to eliminate duplicates Z: 30 12.564 1.753 0.616 0.501 0.793 0.586 CB 1.037 40 residues pruned to eliminate duplicates Z: 8 4.343 1.430 0.923 0.429 0.714 0.571 CB 0.899 Z: 8 2.354 1.229 0.506 0.368 0.857 0.429 N 0.646 Z: 10 8.278 1.750 0.897 0.643 0.778 0.667 CB 0.934 10 residues pruned to eliminate duplicates Z: 20 11.834 1.772 0.699 0.465 0.895 0.684 CB 1.044 20 residues pruned to eliminate duplicates Z: 9 15.752 1.667 1.005 0.803 1.000 0.750 CB 1.278 9 residues pruned to eliminate duplicates Z: 8 16.568 1.792 0.937 0.706 1.000 0.714 CB 1.495 8 residues pruned to eliminate duplicates Z: 9 11.329 1.744 0.786 0.586 1.000 0.750 CB 1.184 9 residues pruned to eliminate duplicates Z: 8 16.203 1.866 0.936 0.661 1.000 0.571 CB 1.461 8 residues pruned to eliminate duplicates Z: 9 11.855 1.732 0.864 0.596 1.000 0.625 CB 1.185 9 residues pruned to eliminate duplicates Z: 9 16.015 1.762 1.011 0.743 1.000 0.875 CB 1.286 9 residues pruned to eliminate duplicates Z: 9 14.875 1.768 0.965 0.686 1.000 0.625 CB 1.276 8 residues pruned to eliminate duplicates Z: 15 22.579 1.924 0.710 0.849 1.000 0.929 CB 1.360 15 residues pruned to eliminate duplicates Z: 50 29.929 1.975 0.460 0.730 0.939 0.755 CB 1.283 50 residues pruned to eliminate duplicates Z: 17 19.382 1.881 0.545 0.850 1.000 0.875 CB 1.234 17 residues pruned to eliminate duplicates Z: 46 35.697 2.038 0.557 0.773 0.956 0.822 CB 1.378 46 residues pruned to eliminate duplicates Z: 16 23.493 1.936 0.695 0.856 1.000 1.000 CB 1.362 16 residues pruned to eliminate duplicates Z: 16 23.868 1.952 0.775 0.856 1.000 0.933 CB 1.312 16 residues pruned to eliminate duplicates Z: 15 18.434 1.917 0.742 0.789 0.929 0.857 CB 1.233 15 residues pruned to eliminate duplicates Z: 63 35.748 1.994 0.491 0.701 0.952 0.790 CB 1.336 63 residues pruned to eliminate duplicates Z: 48 35.137 2.012 0.520 0.721 1.000 0.809 CB 1.372 48 residues pruned to eliminate duplicates Z: 17 18.480 1.902 0.743 0.782 0.875 0.750 CB 1.243 17 residues pruned to eliminate duplicates Z: 16 22.130 1.925 0.757 0.798 0.933 0.800 CB 1.394 16 residues pruned to eliminate duplicates Z: 62 34.561 1.980 0.460 0.712 0.934 0.721 CB 1.351 62 residues pruned to eliminate duplicates Z: 18 17.825 1.878 0.622 0.700 0.882 0.765 CB 1.340 18 residues pruned to eliminate duplicates Z: 60 36.482 1.961 0.596 0.730 0.949 0.831 CB 1.300 60 residues pruned to eliminate duplicates Z: 59 37.215 1.998 0.494 0.727 0.966 0.828 CB 1.381 59 residues pruned to eliminate duplicates Z: 62 38.999 1.942 0.611 0.723 0.967 0.770 CB 1.350 62 residues pruned to eliminate duplicates Z: 55 36.897 2.005 0.548 0.696 0.963 0.741 CB 1.405 55 residues pruned to eliminate duplicates Z: 60 37.958 1.987 0.573 0.715 0.949 0.780 CB 1.370 60 residues pruned to eliminate duplicates Z: 46 30.447 1.971 0.480 0.667 0.956 0.689 CB 1.396 46 residues pruned to eliminate duplicates Z: 45 28.803 1.982 0.423 0.693 0.909 0.682 CB 1.421 45 residues pruned to eliminate duplicates Z: 56 35.875 1.995 0.606 0.711 0.927 0.691 CB 1.344 56 residues pruned to eliminate duplicates Z: 55 36.672 2.017 0.564 0.721 0.963 0.833 CB 1.346 55 residues pruned to eliminate duplicates Z: 65 36.457 1.944 0.538 0.706 0.953 0.844 CB 1.326 95 residues pruned to eliminate duplicates Z: 33 27.882 1.992 0.412 0.716 0.969 0.812 CB 1.489 33 residues pruned to eliminate duplicates Z: 59 36.864 1.968 0.574 0.729 0.966 0.724 CB 1.317 59 residues pruned to eliminate duplicates Z: 40 31.046 2.012 0.497 0.711 1.000 0.897 CB 1.364 40 residues pruned to eliminate duplicates Z: 32 33.243 2.070 0.660 0.743 0.968 0.645 CB 1.445 32 residues pruned to eliminate duplicates Z: 60 37.083 1.976 0.627 0.736 0.949 0.746 CB 1.280 60 residues pruned to eliminate duplicates Z: 33 26.532 2.026 0.468 0.724 0.906 0.719 CB 1.421 33 residues pruned to eliminate duplicates Z: 42 27.512 1.973 0.508 0.680 0.927 0.707 CB 1.320 42 residues pruned to eliminate duplicates Z: 67 37.459 1.933 0.640 0.689 0.955 0.758 CB 1.282 67 residues pruned to eliminate duplicates Z: 44 33.032 2.008 0.590 0.716 0.977 0.767 CB 1.328 44 residues pruned to eliminate duplicates Z: 59 40.119 1.993 0.654 0.741 0.966 0.776 CB 1.334 59 residues pruned to eliminate duplicates Z: 54 30.169 1.932 0.565 0.675 0.943 0.717 CB 1.236 54 residues pruned to eliminate duplicates Z: 34 28.075 2.002 0.479 0.684 0.970 0.788 CB 1.438 34 residues pruned to eliminate duplicates Z: 46 37.501 2.020 0.703 0.770 0.956 0.778 CB 1.339 46 residues pruned to eliminate duplicates Z: 56 28.751 1.931 0.449 0.655 0.927 0.727 CB 1.294 56 residues pruned to eliminate duplicates Z: 64 37.899 1.979 0.600 0.719 0.952 0.825 CB 1.299 64 residues pruned to eliminate duplicates Z: 35 24.847 2.005 0.403 0.653 0.941 0.706 CB 1.396 35 residues pruned to eliminate duplicates Z: 59 28.887 1.913 0.501 0.671 0.897 0.759 CB 1.258 59 residues pruned to eliminate duplicates Z: 51 32.867 1.962 0.604 0.724 0.960 0.840 CB 1.257 51 residues pruned to eliminate duplicates Z: 58 28.500 1.898 0.472 0.660 0.930 0.684 CB 1.252 58 residues pruned to eliminate duplicates Z: 48 30.222 1.997 0.460 0.706 0.915 0.745 CB 1.371 48 residues pruned to eliminate duplicates Z: 46 28.440 1.929 0.587 0.642 0.933 0.711 CB 1.300 46 residues pruned to eliminate duplicates Z: 54 30.529 1.929 0.598 0.655 0.943 0.642 CB 1.249 54 residues pruned to eliminate duplicates Z: 63 37.297 1.990 0.581 0.739 0.952 0.742 CB 1.277 63 residues pruned to eliminate duplicates Z: 60 33.378 1.930 0.583 0.710 0.949 0.814 CB 1.239 60 residues pruned to eliminate duplicates Z: 40 32.284 2.027 0.447 0.716 1.000 0.744 CB 1.449 40 residues pruned to eliminate duplicates Z: 45 30.108 2.013 0.489 0.710 0.932 0.750 CB 1.343 45 residues pruned to eliminate duplicates Z: 61 32.092 1.931 0.474 0.673 0.933 0.700 CB 1.329 61 residues pruned to eliminate duplicates Z: 44 35.105 2.010 0.532 0.735 1.000 0.791 CB 1.407 44 residues pruned to eliminate duplicates Z: 42 34.111 2.015 0.487 0.753 1.000 0.829 CB 1.419 42 residues pruned to eliminate duplicates Z: 58 37.685 1.992 0.592 0.749 0.982 0.737 CB 1.283 58 residues pruned to eliminate duplicates Z: 42 35.553 2.034 0.598 0.748 0.976 0.756 CB 1.404 42 residues pruned to eliminate duplicates Z: 42 35.381 1.992 0.688 0.758 0.951 0.756 CB 1.374 42 residues pruned to eliminate duplicates Z: 48 32.995 1.988 0.550 0.700 0.979 0.723 CB 1.330 48 residues pruned to eliminate duplicates Z: 49 35.727 1.998 0.600 0.691 0.979 0.646 CB 1.384 49 residues pruned to eliminate duplicates Z: 16 18.665 1.815 0.542 0.779 1.000 0.800 CB 1.346 17 residues pruned to eliminate duplicates Z: 16 21.120 1.818 0.717 0.756 1.000 0.733 CB 1.390 16 residues pruned to eliminate duplicates Z: 16 21.107 1.850 0.755 0.761 1.000 0.800 CB 1.332 16 residues pruned to eliminate duplicates Z: 16 19.301 1.847 0.759 0.789 0.867 0.867 CB 1.372 16 residues pruned to eliminate duplicates Z: 17 16.006 1.778 0.687 0.733 0.812 0.625 CB 1.332 17 residues pruned to eliminate duplicates Z: 17 19.392 1.864 0.708 0.752 0.938 0.688 CB 1.297 17 residues pruned to eliminate duplicates Z: 26 20.495 1.882 0.510 0.573 0.920 0.680 CB 1.460 26 residues pruned to eliminate duplicates Z: 42 27.378 1.948 0.521 0.683 0.951 0.610 CB 1.282 21 residues pruned to eliminate duplicates Z: 17 19.198 1.969 0.383 0.786 0.812 0.750 N 1.687 17 residues pruned to eliminate duplicates Z: 20 22.220 2.033 0.540 0.640 1.000 0.579 CB 1.429 20 residues pruned to eliminate duplicates Z: 36 30.517 1.995 0.613 0.667 1.000 0.629 CB 1.374 42 residues pruned to eliminate duplicates Z: 16 26.125 1.947 0.889 0.903 0.867 0.800 CB 1.508 16 residues pruned to eliminate duplicates Z: 40 30.487 1.987 0.664 0.704 0.949 0.692 CB 1.293 34 residues pruned to eliminate duplicates Z: 16 29.934 1.969 0.809 0.930 0.933 0.600 N 1.626 16 residues pruned to eliminate duplicates Z: 19 22.543 1.943 0.801 0.777 0.889 0.611 CB 1.338 19 residues pruned to eliminate duplicates Z: 20 28.098 1.983 0.895 0.722 0.947 0.526 CB 1.482 20 residues pruned to eliminate duplicates Z: 35 26.550 1.987 0.578 0.682 0.912 0.735 CB 1.348 35 residues pruned to eliminate duplicates Z: 15 33.616 2.093 0.932 0.912 0.929 0.643 CB 1.694 15 residues pruned to eliminate duplicates Z: 22 26.136 2.001 0.788 0.666 0.952 0.714 CB 1.435 22 residues pruned to eliminate duplicates Z: 23 25.938 1.986 0.878 0.621 0.955 0.682 CB 1.385 23 residues pruned to eliminate duplicates Z: 25 22.236 1.994 0.744 0.569 0.917 0.542 CB 1.332 24 residues pruned to eliminate duplicates Z: 17 27.998 1.863 0.957 0.876 0.938 0.562 CB 1.488 17 residues pruned to eliminate duplicates Z: 18 27.693 2.101 0.995 0.698 0.941 0.529 CB 1.422 18 residues pruned to eliminate duplicates Z: 36 31.345 2.016 0.606 0.680 0.971 0.686 CB 1.428 37 residues pruned to eliminate duplicates Z: 18 31.871 2.027 0.928 0.826 1.000 0.529 CB 1.491 20 residues pruned to eliminate duplicates Z: 26 19.728 1.846 0.449 0.855 1.000 0.760 CB 1.089 20 residues pruned to eliminate duplicates Z: 25 21.761 1.888 0.377 0.866 0.958 0.792 CB 1.305 25 residues pruned to eliminate duplicates Z: 13 20.767 2.027 0.799 0.926 1.000 0.917 CB 1.153 13 residues pruned to eliminate duplicates Z: 39 26.086 1.916 0.595 0.690 0.895 0.684 CB 1.300 39 residues pruned to eliminate duplicates Z: 11 22.428 2.140 0.666 0.823 1.000 0.900 CB 1.504 11 residues pruned to eliminate duplicates Z: 11 18.499 2.121 0.520 0.811 0.900 0.900 CB 1.538 11 residues pruned to eliminate duplicates Z: 44 22.944 1.894 0.416 0.631 0.884 0.605 CB 1.305 46 residues pruned to eliminate duplicates Z: 22 21.598 1.903 0.506 0.862 0.952 0.810 CB 1.268 22 residues pruned to eliminate duplicates Z: 44 33.434 1.965 0.682 0.720 0.930 0.698 CB 1.358 44 residues pruned to eliminate duplicates Z: 19 16.817 1.993 0.575 0.655 0.944 0.556 CB 1.158 19 residues pruned to eliminate duplicates Z: 44 32.427 1.952 0.653 0.731 0.977 0.791 CB 1.274 44 residues pruned to eliminate duplicates Z: 44 33.025 1.965 0.713 0.732 0.953 0.651 CB 1.274 44 residues pruned to eliminate duplicates Z: 21 23.290 1.915 0.708 0.830 0.900 0.700 CB 1.330 21 residues pruned to eliminate duplicates Z: 25 19.431 1.986 0.465 0.729 0.958 0.583 CB 1.158 25 residues pruned to eliminate duplicates Z: 39 17.748 1.886 0.441 0.557 0.842 0.579 CB 1.191 39 residues pruned to eliminate duplicates Z: 42 34.125 1.986 0.689 0.736 0.976 0.683 CB 1.317 41 residues pruned to eliminate duplicates Z: 27 23.093 1.756 0.611 0.861 0.962 0.692 CB 1.223 27 residues pruned to eliminate duplicates Z: 20 24.975 1.996 0.553 0.878 1.000 0.684 CB 1.341 20 residues pruned to eliminate duplicates Z: 22 25.311 1.910 0.616 0.835 1.000 0.857 CB 1.340 22 residues pruned to eliminate duplicates Z: 45 32.957 1.951 0.705 0.716 0.955 0.682 CB 1.287 45 residues pruned to eliminate duplicates Z: 31 18.279 1.894 0.490 0.658 0.933 0.567 CB 1.094 31 residues pruned to eliminate duplicates Z: 24 26.282 1.907 0.665 0.845 1.000 0.870 CB 1.283 24 residues pruned to eliminate duplicates Z: 23 14.100 1.808 0.317 0.689 0.864 0.591 CB 1.229 23 residues pruned to eliminate duplicates Z: 28 18.923 1.750 0.597 0.766 0.889 0.741 CB 1.158 28 residues pruned to eliminate duplicates Z: 30 20.629 1.881 0.564 0.636 0.931 0.621 CB 1.231 30 residues pruned to eliminate duplicates Z: 38 20.189 1.858 0.658 0.614 0.865 0.541 CB 1.119 38 residues pruned to eliminate duplicates Z: 7 2.882 1.414 0.546 0.331 0.667 0.667 CB 0.972 Z: 17 15.087 1.680 0.530 0.833 0.938 0.750 CB 1.175 17 residues pruned to eliminate duplicates Z: 15 15.133 1.716 0.551 0.847 1.000 0.714 CB 1.128 15 residues pruned to eliminate duplicates Z: 17 14.257 1.654 0.444 0.841 1.000 0.625 CB 1.113 16 residues pruned to eliminate duplicates Z: 15 15.370 1.759 0.606 0.856 0.929 0.714 CB 1.154 15 residues pruned to eliminate duplicates Z: 17 15.007 1.708 0.463 0.829 0.938 0.625 CB 1.204 17 residues pruned to eliminate duplicates Z: 19 10.791 1.646 0.493 0.688 0.833 0.500 CB 1.046 19 residues pruned to eliminate duplicates Z: 15 12.206 1.741 0.430 0.775 0.929 0.643 CB 1.107 15 residues pruned to eliminate duplicates Z: 14 13.403 1.787 0.508 0.801 0.846 0.538 CB 1.253 14 residues pruned to eliminate duplicates Z: 15 15.444 1.737 0.586 0.865 1.000 0.571 CB 1.098 15 residues pruned to eliminate duplicates Z: 15 12.466 1.739 0.525 0.808 0.857 0.571 CB 1.121 15 residues pruned to eliminate duplicates Z: 15 14.409 1.752 0.530 0.795 0.929 0.643 CB 1.195 15 residues pruned to eliminate duplicates Z: 37 17.586 1.717 0.511 0.641 0.917 0.444 CB 1.080 34 residues pruned to eliminate duplicates Z: 16 16.315 1.738 0.551 0.888 1.000 0.800 CB 1.125 16 residues pruned to eliminate duplicates Z: 15 16.898 1.740 0.755 0.880 1.000 0.786 CB 1.072 15 residues pruned to eliminate duplicates Z: 15 15.541 1.752 0.608 0.881 0.929 0.500 CB 1.150 15 residues pruned to eliminate duplicates Z: 15 13.850 1.751 0.592 0.844 0.857 0.571 CB 1.152 15 residues pruned to eliminate duplicates Z: 18 13.100 1.720 0.496 0.775 0.941 0.588 CB 1.029 18 residues pruned to eliminate duplicates Z: 17 9.424 1.736 0.295 0.482 0.938 0.562 CB 1.139 17 residues pruned to eliminate duplicates Z: 30 16.520 1.759 0.434 0.682 0.931 0.552 CB 1.105 30 residues pruned to eliminate duplicates Z: 11 13.823 1.835 0.601 0.720 0.900 0.600 CB 1.355 11 residues pruned to eliminate duplicates Z: 18 12.217 1.669 0.591 0.667 0.941 0.588 CB 1.016 20 residues pruned to eliminate duplicates Z: 10 17.956 1.808 0.754 0.896 1.000 0.889 CB 1.352 10 residues pruned to eliminate duplicates Z: 14 11.631 1.734 0.595 0.610 0.846 0.538 CB 1.242 14 residues pruned to eliminate duplicates Z: 14 10.889 1.670 0.689 0.689 0.769 0.538 CB 1.171 14 residues pruned to eliminate duplicates Z: 17 16.610 1.688 0.910 0.605 0.875 0.562 CB 1.333 22 residues pruned to eliminate duplicates Z: 10 15.740 1.790 0.782 0.838 0.889 0.667 CB 1.383 10 residues pruned to eliminate duplicates Z: 18 12.347 1.674 0.547 0.603 0.882 0.353 CB 1.188 18 residues pruned to eliminate duplicates Z: 23 12.232 1.605 0.547 0.542 0.909 0.500 CB 1.108 23 residues pruned to eliminate duplicates Z: 12 17.627 1.790 0.774 0.825 0.909 0.636 CB 1.390 12 residues pruned to eliminate duplicates Z: 17 11.932 1.687 0.582 0.702 0.938 0.688 CB 0.992 12 residues pruned to eliminate duplicates 425 residues left after pruning, divided into chains as follows: A: 7 B: 6 C: 12 D: 6 E: 14 F: 29 G: 42 H: 54 I: 17 J: 46 K: 9 L: 20 M: 63 N: 57 O: 35 P: 8 CC for partial structure against native data = 40.95 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.299, Contrast = 0.513, Connect. = 0.718 for dens.mod. cycle 1 = 0.300, Contrast = 0.586, Connect. = 0.744 for dens.mod. cycle 2 = 0.300, Contrast = 0.686, Connect. = 0.771 for dens.mod. cycle 3 = 0.300, Contrast = 0.695, Connect. = 0.772 for dens.mod. cycle 4 = 0.300, Contrast = 0.703, Connect. = 0.772 for dens.mod. cycle 5 = 0.300, Contrast = 0.705, Connect. = 0.773 for dens.mod. cycle 6 = 0.300, Contrast = 0.706, Connect. = 0.774 for dens.mod. cycle 7 = 0.300, Contrast = 0.706, Connect. = 0.775 for dens.mod. cycle 8 = 0.300, Contrast = 0.706, Connect. = 0.776 for dens.mod. cycle 9 = 0.300, Contrast = 0.705, Connect. = 0.777 for dens.mod. cycle 10 TimeTaking 95.83