null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 21:43:37 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: ./2oc5-1.7-parrot-noncs/2oc5-1.7-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2oc5-1.7-parrot-noncs/2oc5-1.7-parrot-noncs.ins Phases from ./2oc5-1.7-parrot-noncs/2oc5-1.7-parrot-noncs.phi Native data from ./2oc5-1.7-parrot-noncs/2oc5-1.7-parrot-noncs.hkl Listing output to ./2oc5-1.7-parrot-noncs/2oc5-1.7-parrot-noncs.lst Phases output to ./2oc5-1.7-parrot-noncs/2oc5-1.7-parrot-noncs.phs Poly-Ala trace output to ./2oc5-1.7-parrot-noncs/2oc5-1.7-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 43 21 2 Allowed origin shift code: 9 40958 Reflections read from file ./2oc5-1.7-parrot-noncs/2oc5-1.7-parrot-noncs.phi 40958 Reflections read from file ./2oc5-1.7-parrot-noncs/2oc5-1.7-parrot-noncs.hkl 40958 Unique data, highest resolution = 1.680 Angstroms Anisotropic scaling: intensities multiplied by 0.000011h^2 +0.000011k^2 +0.000001l^2 +0.000000kl +0.000000hl +0.000000hk 78 Reflections with d > 1.880 and 0 in range 1.880 > d > 1.680 added Density sharpening factor set to 1.23 Fourier grid = 256 x 256 x 27 0.000 <= z <= 0.125 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.578 ** -f missing ?? ** = 0.295, Contrast = 0.147, Connect. = 0.627 for dens.mod. cycle 1 = 0.300, Contrast = 0.391, Connect. = 0.709 for dens.mod. cycle 2 = 0.300, Contrast = 0.759, Connect. = 0.814 for dens.mod. cycle 3 = 0.300, Contrast = 0.880, Connect. = 0.837 for dens.mod. cycle 4 = 0.300, Contrast = 0.922, Connect. = 0.847 for dens.mod. cycle 5 = 0.300, Contrast = 0.941, Connect. = 0.851 for dens.mod. cycle 6 = 0.300, Contrast = 0.952, Connect. = 0.853 for dens.mod. cycle 7 = 0.300, Contrast = 0.960, Connect. = 0.855 for dens.mod. cycle 8 = 0.300, Contrast = 0.965, Connect. = 0.856 for dens.mod. cycle 9 = 0.300, Contrast = 0.968, Connect. = 0.857 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1415 peaks > 0.5 sigma used to seed fragment search Space for about 385 unique residues taking solvent into account 300 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 30 64.891 2.575 0.820 0.914 1.000 0.793 CB 1.818 B: 63 77.774 2.345 0.895 0.884 0.984 0.774 CB 1.633 31 residues pruned to eliminate duplicates C: 26 64.981 2.425 1.257 0.952 1.000 0.840 CB 1.635 D: 22 58.188 2.432 1.144 0.906 1.000 0.714 CB 1.732 E: 29 69.800 2.500 1.257 0.860 0.893 0.679 CB 1.925 F: 11 56.453 2.586 1.470 0.908 1.000 0.600 CB 1.985 11 residues pruned to eliminate duplicates G: 23 53.051 2.332 1.062 0.895 1.000 0.864 CB 1.686 22 residues pruned to eliminate duplicates H: 22 66.972 2.385 1.464 0.943 0.952 0.810 CB 1.809 I: 32 53.820 2.454 0.698 0.881 0.968 0.871 CB 1.736 32 residues pruned to eliminate duplicates J: 11 45.850 2.603 0.994 0.889 1.000 0.800 CB 2.012 11 residues pruned to eliminate duplicates K: 20 64.292 2.424 1.430 0.873 1.000 0.684 CB 1.824 21 residues pruned to eliminate duplicates L: 32 83.139 2.499 1.337 0.957 1.000 0.903 CB 1.754 M: 33 77.479 2.476 1.267 0.959 1.000 0.906 CB 1.673 33 residues pruned to eliminate duplicates N: 31 50.631 2.351 0.757 0.882 0.967 0.900 CB 1.675 31 residues pruned to eliminate duplicates O: 19 65.592 2.508 1.394 0.857 1.000 0.667 CA 1.897 19 residues pruned to eliminate duplicates P: 30 72.959 2.413 1.298 0.924 1.000 0.862 CB 1.716 26 residues pruned to eliminate duplicates Q: 22 52.514 2.379 1.007 0.896 1.000 0.905 CB 1.719 22 residues pruned to eliminate duplicates R: 23 51.942 2.395 1.170 0.885 0.955 0.727 CB 1.612 22 residues pruned to eliminate duplicates S: 27 62.817 2.426 1.094 0.954 1.000 0.846 CB 1.667 27 residues pruned to eliminate duplicates T: 19 51.171 2.440 0.914 0.846 1.000 0.833 CB 1.918 19 residues pruned to eliminate duplicates U: 22 62.821 2.377 1.259 0.949 1.000 0.952 CB 1.761 22 residues pruned to eliminate duplicates V: 63 80.453 2.354 0.969 0.873 0.984 0.790 CB 1.632 63 residues pruned to eliminate duplicates W: 12 39.723 2.486 1.070 0.872 0.909 0.818 CB 1.866 12 residues pruned to eliminate duplicates X: 35 52.183 2.436 0.663 0.871 0.971 0.618 CB 1.660 35 residues pruned to eliminate duplicates Y: 10 16.964 2.192 0.977 0.816 0.889 0.889 CB 1.116 10 residues pruned to eliminate duplicates Z: 23 65.909 2.291 1.357 0.943 1.000 0.909 CB 1.803 22 residues pruned to eliminate duplicates Z: 34 59.197 2.493 0.781 0.874 0.970 0.697 CB 1.741 34 residues pruned to eliminate duplicates Z: 29 81.958 2.539 1.248 0.890 0.964 0.750 CA 2.025 28 residues pruned to eliminate duplicates Z: 46 65.679 2.238 0.967 0.893 1.000 0.822 CB 1.597 45 residues pruned to eliminate duplicates Z: 19 57.511 2.451 1.123 0.850 1.000 0.833 CA 1.929 19 residues pruned to eliminate duplicates Z: 27 75.052 2.510 1.291 0.881 0.923 0.654 CA 2.008 27 residues pruned to eliminate duplicates Z: 31 77.814 2.495 1.370 0.944 0.967 0.900 CB 1.722 31 residues pruned to eliminate duplicates Z: 30 57.524 2.410 1.025 0.913 0.966 0.897 CB 1.605 31 residues pruned to eliminate duplicates Z: 29 60.266 2.463 0.862 0.916 1.000 0.893 CB 1.754 29 residues pruned to eliminate duplicates Z: 23 60.210 2.327 1.530 0.939 0.909 0.864 CB 1.666 23 residues pruned to eliminate duplicates Z: 36 54.143 2.383 0.776 0.864 0.943 0.686 CB 1.682 36 residues pruned to eliminate duplicates Z: 31 54.176 2.313 1.051 0.886 0.933 0.833 CB 1.612 31 residues pruned to eliminate duplicates Z: 9 49.811 2.674 1.305 0.903 1.000 1.000 CB 2.036 9 residues pruned to eliminate duplicates Z: 22 55.051 2.359 1.130 0.934 0.952 0.905 CA 1.750 22 residues pruned to eliminate duplicates Z: 22 50.842 2.376 1.137 0.870 1.000 0.857 CB 1.595 22 residues pruned to eliminate duplicates Z: 33 84.793 2.472 1.452 0.961 1.000 0.906 CB 1.692 32 residues pruned to eliminate duplicates Z: 22 54.228 2.420 1.029 0.906 1.000 0.905 CB 1.714 22 residues pruned to eliminate duplicates Z: 22 45.575 2.367 0.725 0.903 1.000 0.905 CB 1.736 22 residues pruned to eliminate duplicates Z: 29 65.117 2.359 1.302 0.850 0.893 0.679 CA 1.881 29 residues pruned to eliminate duplicates Z: 30 55.979 2.417 0.841 0.895 0.966 0.931 CB 1.734 30 residues pruned to eliminate duplicates Z: 15 46.134 2.501 0.912 0.872 1.000 0.857 CB 1.878 15 residues pruned to eliminate duplicates Z: 62 103.914 2.460 1.324 0.926 0.984 0.869 CB 1.660 62 residues pruned to eliminate duplicates Z: 29 87.658 2.539 1.404 0.877 1.000 0.750 CA 1.971 29 residues pruned to eliminate duplicates Z: 23 63.676 2.333 1.390 0.927 0.955 0.818 CB 1.787 24 residues pruned to eliminate duplicates Z: 22 72.210 2.381 1.405 0.940 1.000 0.857 CB 1.910 22 residues pruned to eliminate duplicates Z: 17 34.544 2.419 0.688 0.813 0.875 0.625 CB 1.841 17 residues pruned to eliminate duplicates Z: 16 64.981 2.509 1.446 0.948 0.933 0.733 CB 2.023 16 residues pruned to eliminate duplicates Z: 62 107.414 2.456 1.390 0.917 0.984 0.885 CB 1.681 62 residues pruned to eliminate duplicates Z: 33 81.988 2.453 1.525 0.959 0.969 0.844 CB 1.655 33 residues pruned to eliminate duplicates Z: 29 54.077 2.478 0.702 0.912 1.000 0.857 CB 1.715 29 residues pruned to eliminate duplicates Z: 46 67.706 2.282 1.021 0.880 0.956 0.711 CB 1.660 46 residues pruned to eliminate duplicates Z: 26 57.334 2.462 0.907 0.935 1.000 0.920 CB 1.703 26 residues pruned to eliminate duplicates Z: 30 59.725 2.409 1.014 0.907 1.000 0.828 CB 1.625 30 residues pruned to eliminate duplicates Z: 27 53.297 2.411 0.893 0.950 1.000 0.923 CB 1.578 27 residues pruned to eliminate duplicates Z: 32 76.916 2.425 1.394 0.959 0.968 0.935 CB 1.685 32 residues pruned to eliminate duplicates Z: 33 83.628 2.456 1.492 0.962 1.000 0.781 CB 1.652 33 residues pruned to eliminate duplicates Z: 13 24.179 1.991 0.833 0.835 0.917 0.667 CA 1.562 Z: 35 63.187 2.463 0.849 0.870 1.000 0.735 CB 1.737 35 residues pruned to eliminate duplicates Z: 13 29.406 1.997 1.103 0.935 0.917 0.667 CB 1.536 13 residues pruned to eliminate duplicates Z: 34 73.840 2.373 1.265 0.943 1.000 0.879 CB 1.656 34 residues pruned to eliminate duplicates Z: 25 77.301 2.606 1.153 0.926 0.958 0.917 CB 2.058 26 residues pruned to eliminate duplicates Z: 33 78.257 2.454 1.514 0.952 0.938 0.875 CB 1.647 33 residues pruned to eliminate duplicates Z: 21 74.114 2.490 1.513 0.950 0.950 0.850 CB 1.923 22 residues pruned to eliminate duplicates Z: 33 75.038 2.430 1.216 0.959 1.000 0.969 CB 1.688 33 residues pruned to eliminate duplicates Z: 34 74.069 2.408 1.230 0.953 1.000 0.909 CB 1.652 34 residues pruned to eliminate duplicates Z: 22 50.394 2.420 0.876 0.904 1.000 0.905 CB 1.724 22 residues pruned to eliminate duplicates Z: 63 74.972 2.328 0.840 0.899 0.968 0.790 CB 1.642 64 residues pruned to eliminate duplicates Z: 36 58.293 2.391 0.740 0.886 1.000 0.743 CB 1.709 36 residues pruned to eliminate duplicates Z: 13 27.500 1.978 1.098 0.859 0.917 0.583 CB 1.535 13 residues pruned to eliminate duplicates Z: 34 79.072 2.387 1.601 0.952 1.000 0.758 CB 1.527 34 residues pruned to eliminate duplicates Z: 36 61.466 2.403 0.843 0.885 1.000 0.657 CB 1.694 36 residues pruned to eliminate duplicates Z: 30 57.341 2.406 0.916 0.909 1.000 0.862 CB 1.640 30 residues pruned to eliminate duplicates Z: 25 68.328 2.301 1.499 0.913 1.000 0.792 CB 1.716 25 residues pruned to eliminate duplicates Z: 33 75.901 2.437 1.268 0.954 1.000 0.938 CB 1.670 33 residues pruned to eliminate duplicates Z: 13 22.888 1.998 0.723 0.826 0.917 0.583 CB 1.580 13 residues pruned to eliminate duplicates Z: 21 45.587 2.484 0.591 0.899 0.950 0.950 CB 1.941 21 residues pruned to eliminate duplicates Z: 34 78.686 2.408 1.431 0.960 1.000 0.848 CB 1.602 34 residues pruned to eliminate duplicates Z: 34 68.248 2.395 1.144 0.944 1.000 0.879 CB 1.602 34 residues pruned to eliminate duplicates Z: 28 49.278 2.435 0.728 0.916 0.963 0.815 CB 1.653 28 residues pruned to eliminate duplicates Z: 34 60.368 2.498 0.714 0.889 0.970 0.727 CB 1.823 34 residues pruned to eliminate duplicates Z: 22 51.811 2.408 0.956 0.885 1.000 0.857 CB 1.732 23 residues pruned to eliminate duplicates Z: 27 71.538 2.513 1.170 0.881 0.962 0.692 CB 1.938 27 residues pruned to eliminate duplicates Z: 64 67.513 2.308 0.713 0.889 0.968 0.794 CB 1.599 64 residues pruned to eliminate duplicates Z: 18 41.084 2.394 0.733 0.887 0.941 0.706 CB 1.839 18 residues pruned to eliminate duplicates Z: 15 41.879 2.363 0.949 0.889 1.000 0.857 CB 1.750 15 residues pruned to eliminate duplicates Z: 22 57.152 2.382 1.199 0.924 0.952 0.810 CA 1.756 22 residues pruned to eliminate duplicates Z: 32 78.626 2.488 1.304 0.955 1.000 0.935 CB 1.693 32 residues pruned to eliminate duplicates Z: 35 46.110 2.113 0.880 0.892 0.941 0.735 CB 1.519 36 residues pruned to eliminate duplicates Z: 30 69.818 2.391 1.284 0.921 1.000 0.897 CB 1.671 30 residues pruned to eliminate duplicates Z: 34 79.585 2.419 1.342 0.965 1.000 0.939 CB 1.670 34 residues pruned to eliminate duplicates Z: 19 47.014 2.403 0.889 0.912 0.889 0.667 CB 1.946 19 residues pruned to eliminate duplicates Z: 32 82.116 2.496 1.513 0.957 0.968 0.871 CB 1.667 32 residues pruned to eliminate duplicates Z: 22 66.909 2.404 1.395 0.913 0.952 0.810 CB 1.884 22 residues pruned to eliminate duplicates Z: 62 79.051 2.362 0.860 0.904 1.000 0.770 CB 1.641 62 residues pruned to eliminate duplicates Z: 33 49.598 2.132 1.061 0.899 0.969 0.750 CB 1.472 33 residues pruned to eliminate duplicates Z: 22 45.220 2.350 0.789 0.885 1.000 0.857 CB 1.695 22 residues pruned to eliminate duplicates Z: 21 75.973 2.462 1.516 0.943 1.000 0.950 CB 1.900 20 residues pruned to eliminate duplicates Z: 26 62.390 2.198 1.418 0.917 0.960 0.760 CB 1.726 26 residues pruned to eliminate duplicates Z: 33 84.023 2.451 1.537 0.961 1.000 0.812 CB 1.635 34 residues pruned to eliminate duplicates Z: 22 49.592 2.417 0.956 0.922 0.952 0.905 CB 1.690 22 residues pruned to eliminate duplicates Z: 22 50.579 2.412 0.951 0.911 1.000 0.762 CB 1.662 22 residues pruned to eliminate duplicates Z: 22 56.441 2.422 1.120 0.923 1.000 0.952 CB 1.685 22 residues pruned to eliminate duplicates Z: 33 76.327 2.439 1.205 0.957 1.000 0.938 CB 1.722 33 residues pruned to eliminate duplicates Z: 31 46.923 2.293 0.688 0.890 0.967 0.933 CB 1.647 31 residues pruned to eliminate duplicates Z: 33 76.848 2.440 1.266 0.952 1.000 0.906 CB 1.692 33 residues pruned to eliminate duplicates Z: 22 48.956 2.399 0.892 0.894 1.000 0.810 CB 1.688 22 residues pruned to eliminate duplicates Z: 33 80.565 2.448 1.374 0.957 1.000 0.906 CB 1.682 33 residues pruned to eliminate duplicates Z: 14 43.024 2.479 0.844 0.876 1.000 0.769 CB 1.897 14 residues pruned to eliminate duplicates Z: 30 44.717 2.378 0.576 0.904 0.966 0.862 CB 1.634 30 residues pruned to eliminate duplicates Z: 33 76.754 2.448 1.294 0.963 1.000 0.969 CB 1.652 33 residues pruned to eliminate duplicates Z: 12 26.080 2.069 0.726 0.845 1.000 0.727 CB 1.637 12 residues pruned to eliminate duplicates Z: 209 172.195 2.435 1.223 0.822 0.971 0.793 CB 1.718 195 residues pruned to eliminate duplicates Z: 15 41.450 2.585 0.540 0.935 1.000 1.000 CB 1.940 15 residues pruned to eliminate duplicates Z: 31 63.938 2.462 0.907 0.879 0.967 0.700 CB 1.864 31 residues pruned to eliminate duplicates Z: 33 66.553 2.498 1.039 0.887 0.938 0.719 CB 1.777 33 residues pruned to eliminate duplicates Z: 28 47.167 2.198 0.966 0.948 1.000 0.852 CB 1.451 28 residues pruned to eliminate duplicates Z: 48 60.608 2.301 0.766 0.893 0.979 0.745 CB 1.596 48 residues pruned to eliminate duplicates Z: 36 57.569 2.409 0.819 0.872 0.943 0.771 CB 1.716 36 residues pruned to eliminate duplicates Z: 34 50.874 2.117 0.990 0.902 1.000 0.818 CB 1.499 34 residues pruned to eliminate duplicates Z: 30 74.691 2.410 1.342 0.927 1.000 0.828 CB 1.721 30 residues pruned to eliminate duplicates Z: 31 46.727 2.146 0.984 0.908 0.967 0.833 CB 1.473 31 residues pruned to eliminate duplicates Z: 30 40.922 2.114 0.795 0.916 1.000 0.862 CB 1.414 30 residues pruned to eliminate duplicates Z: 34 44.690 2.148 0.802 0.884 0.970 0.848 CB 1.498 34 residues pruned to eliminate duplicates Z: 34 74.433 2.379 1.298 0.944 1.000 0.939 CB 1.641 34 residues pruned to eliminate duplicates Z: 32 60.460 2.484 0.842 0.883 1.000 0.677 CB 1.716 32 residues pruned to eliminate duplicates Z: 47 64.890 2.313 0.898 0.891 0.957 0.783 CB 1.638 47 residues pruned to eliminate duplicates Z: 190 162.668 2.438 1.191 0.837 0.974 0.788 CB 1.702 190 residues pruned to eliminate duplicates Z: 64 79.427 2.321 0.969 0.905 0.984 0.762 CB 1.583 64 residues pruned to eliminate duplicates Z: 22 57.772 2.422 1.152 0.920 1.000 0.952 CB 1.703 22 residues pruned to eliminate duplicates Z: 34 42.748 2.128 0.841 0.871 0.939 0.727 CB 1.475 34 residues pruned to eliminate duplicates Z: 14 26.829 2.088 1.037 0.701 0.923 0.692 CA 1.579 11 residues pruned to eliminate duplicates Z: 46 60.078 2.244 0.971 0.867 0.956 0.711 CB 1.550 46 residues pruned to eliminate duplicates Z: 28 57.822 2.398 0.900 0.864 0.963 0.852 CB 1.859 28 residues pruned to eliminate duplicates Z: 29 72.604 2.476 1.332 0.930 1.000 0.929 CB 1.662 29 residues pruned to eliminate duplicates Z: 29 65.429 2.435 1.261 0.921 0.964 0.893 CB 1.639 29 residues pruned to eliminate duplicates Z: 12 27.680 2.072 1.022 0.838 0.909 0.727 CB 1.638 12 residues pruned to eliminate duplicates Z: 34 45.713 2.076 0.954 0.913 0.970 0.879 CB 1.432 34 residues pruned to eliminate duplicates Z: 11 22.515 2.047 0.707 0.921 1.000 1.000 CB 1.434 11 residues pruned to eliminate duplicates Z: 29 61.259 2.475 0.951 0.917 1.000 0.857 CB 1.692 29 residues pruned to eliminate duplicates Z: 26 50.916 2.423 0.771 0.939 1.000 1.000 CB 1.649 26 residues pruned to eliminate duplicates Z: 207 169.569 2.467 1.121 0.840 0.981 0.791 CB 1.718 208 residues pruned to eliminate duplicates Z: 22 46.749 2.393 0.801 0.913 1.000 0.762 CB 1.675 22 residues pruned to eliminate duplicates Z: 22 44.362 2.396 0.736 0.905 1.000 0.905 CB 1.657 22 residues pruned to eliminate duplicates Z: 12 27.858 2.069 0.802 0.881 1.000 0.727 CB 1.631 12 residues pruned to eliminate duplicates Z: 12 27.938 2.054 0.921 0.848 1.000 0.818 CA 1.584 12 residues pruned to eliminate duplicates Z: 35 42.803 2.081 0.840 0.879 0.971 0.794 CB 1.432 35 residues pruned to eliminate duplicates Z: 62 76.586 2.353 0.829 0.898 1.000 0.869 CB 1.629 62 residues pruned to eliminate duplicates Z: 11 15.842 2.285 0.491 0.857 1.000 0.800 CB 1.084 11 residues pruned to eliminate duplicates Z: 21 43.093 2.375 0.803 0.917 0.950 0.900 CB 1.671 21 residues pruned to eliminate duplicates Z: 19 38.472 2.199 0.969 0.916 0.944 0.833 CB 1.566 19 residues pruned to eliminate duplicates Z: 29 51.677 2.268 1.100 0.799 0.893 0.607 CB 1.768 29 residues pruned to eliminate duplicates Z: 34 81.431 2.398 1.410 0.956 1.000 0.939 CB 1.685 34 residues pruned to eliminate duplicates Z: 155 151.779 2.423 1.272 0.845 0.987 0.779 CB 1.673 156 residues pruned to eliminate duplicates Z: 29 69.107 2.466 1.386 0.924 0.964 0.786 CB 1.617 29 residues pruned to eliminate duplicates Z: 22 53.925 2.422 1.018 0.903 1.000 0.762 CB 1.716 22 residues pruned to eliminate duplicates Z: 221 172.023 2.444 1.136 0.835 0.964 0.773 CB 1.727 223 residues pruned to eliminate duplicates Z: 11 24.581 2.123 0.519 0.894 1.000 0.900 CB 1.730 11 residues pruned to eliminate duplicates Z: 18 34.133 2.293 0.789 0.830 0.941 0.588 CB 1.612 18 residues pruned to eliminate duplicates Z: 11 23.398 2.153 0.440 0.876 1.000 0.900 CA 1.735 11 residues pruned to eliminate duplicates Z: 30 47.338 2.128 1.156 0.921 1.000 0.828 CB 1.348 30 residues pruned to eliminate duplicates Z: 34 45.735 2.115 0.782 0.892 1.000 0.818 CB 1.518 34 residues pruned to eliminate duplicates Z: 32 47.872 2.161 0.957 0.902 1.000 0.806 CB 1.449 32 residues pruned to eliminate duplicates Z: 21 46.871 2.259 1.113 0.806 0.900 0.650 CB 1.868 21 residues pruned to eliminate duplicates Z: 32 86.264 2.475 1.573 0.961 1.000 0.645 CB 1.666 32 residues pruned to eliminate duplicates Z: 107 107.732 2.441 1.074 0.805 0.962 0.764 CB 1.646 107 residues pruned to eliminate duplicates Z: 30 63.946 2.365 1.172 0.911 1.000 0.862 CB 1.639 30 residues pruned to eliminate duplicates Z: 65 66.990 2.212 0.797 0.872 0.984 0.719 CB 1.560 65 residues pruned to eliminate duplicates Z: 32 72.998 2.468 1.099 0.952 1.000 0.903 CB 1.743 32 residues pruned to eliminate duplicates Z: 17 43.425 2.247 1.302 0.894 0.938 0.688 CB 1.606 17 residues pruned to eliminate duplicates Z: 109 120.339 2.407 1.337 0.810 0.963 0.769 CB 1.633 109 residues pruned to eliminate duplicates Z: 29 65.021 2.438 1.151 0.904 0.964 0.857 CB 1.731 29 residues pruned to eliminate duplicates Z: 63 77.935 2.334 0.838 0.890 1.000 0.758 CB 1.660 63 residues pruned to eliminate duplicates Z: 35 62.006 2.332 1.136 0.926 0.941 0.912 CB 1.591 35 residues pruned to eliminate duplicates Z: 21 52.805 2.346 1.249 0.832 0.900 0.550 CA 1.866 21 residues pruned to eliminate duplicates Z: 32 82.480 2.482 1.480 0.959 1.000 0.903 CB 1.649 32 residues pruned to eliminate duplicates Z: 19 56.377 2.467 1.149 0.895 1.000 0.778 CB 1.797 19 residues pruned to eliminate duplicates Z: 31 47.414 2.405 0.515 0.915 1.000 0.833 CB 1.679 31 residues pruned to eliminate duplicates Z: 7 6.911 1.785 0.729 0.474 0.667 0.167 CB 1.407 7 residues pruned to eliminate duplicates Z: 22 66.547 2.387 1.338 0.933 0.952 0.905 CB 1.907 22 residues pruned to eliminate duplicates Z: 195 162.363 2.455 1.120 0.840 0.959 0.763 CB 1.743 195 residues pruned to eliminate duplicates Z: 32 46.212 2.107 1.022 0.896 0.968 0.871 CB 1.442 32 residues pruned to eliminate duplicates Z: 27 54.950 2.394 0.859 0.942 1.000 0.923 CB 1.680 27 residues pruned to eliminate duplicates Z: 78 85.954 2.395 1.071 0.786 0.961 0.792 CB 1.598 78 residues pruned to eliminate duplicates Z: 35 53.762 2.404 0.754 0.863 0.941 0.735 CB 1.704 35 residues pruned to eliminate duplicates Z: 102 120.183 2.439 1.297 0.812 0.990 0.802 CB 1.643 101 residues pruned to eliminate duplicates Z: 105 109.566 2.426 1.157 0.792 0.971 0.712 CB 1.636 105 residues pruned to eliminate duplicates Z: 12 28.559 2.061 0.980 0.835 1.000 0.727 CA 1.581 12 residues pruned to eliminate duplicates Z: 34 50.022 2.154 0.921 0.889 1.000 0.848 CB 1.516 34 residues pruned to eliminate duplicates Z: 63 71.582 2.320 0.796 0.903 0.952 0.855 CB 1.634 63 residues pruned to eliminate duplicates Z: 64 71.088 2.298 0.760 0.899 0.984 0.810 CB 1.609 64 residues pruned to eliminate duplicates Z: 62 70.631 2.284 0.849 0.895 0.934 0.754 CB 1.642 62 residues pruned to eliminate duplicates Z: 32 41.613 2.127 0.972 0.900 0.903 0.839 CB 1.408 32 residues pruned to eliminate duplicates Z: 30 49.038 2.393 0.785 0.889 0.931 0.828 CB 1.649 30 residues pruned to eliminate duplicates Z: 28 45.169 2.149 1.021 0.922 1.000 0.778 CB 1.408 28 residues pruned to eliminate duplicates Z: 33 77.651 2.456 1.256 0.962 1.000 0.906 CB 1.695 33 residues pruned to eliminate duplicates Z: 115 123.836 2.385 1.155 0.838 0.956 0.825 CB 1.764 115 residues pruned to eliminate duplicates Z: 49 87.449 2.413 1.401 0.794 1.000 0.917 CB 1.684 49 residues pruned to eliminate duplicates Z: 109 115.403 2.386 1.289 0.800 0.981 0.824 CB 1.593 109 residues pruned to eliminate duplicates Z: 10 6.339 1.798 0.604 0.514 0.778 0.556 CB 0.929 10 residues pruned to eliminate duplicates Z: 58 85.730 2.366 1.431 0.789 0.965 0.719 CB 1.588 58 residues pruned to eliminate duplicates Z: 30 50.403 2.366 0.673 0.909 1.000 0.828 CB 1.678 30 residues pruned to eliminate duplicates Z: 11 28.785 2.099 0.968 0.841 1.000 0.800 CB 1.643 11 residues pruned to eliminate duplicates Z: 192 157.251 2.409 1.156 0.818 0.984 0.759 CB 1.689 192 residues pruned to eliminate duplicates Z: 178 155.898 2.412 1.190 0.840 0.977 0.814 CB 1.693 178 residues pruned to eliminate duplicates Z: 128 138.723 2.440 1.338 0.804 0.984 0.780 CB 1.681 128 residues pruned to eliminate duplicates Z: 196 156.545 2.406 1.124 0.809 0.985 0.754 CB 1.702 196 residues pruned to eliminate duplicates Z: 99 113.368 2.441 1.250 0.815 0.969 0.806 CB 1.635 99 residues pruned to eliminate duplicates Z: 22 49.891 2.471 0.845 0.806 0.952 0.762 CB 1.919 22 residues pruned to eliminate duplicates Z: 34 77.093 2.366 1.482 0.958 1.000 0.818 CB 1.568 34 residues pruned to eliminate duplicates Z: 19 35.300 2.218 0.778 0.822 1.000 0.778 CB 1.596 19 residues pruned to eliminate duplicates Z: 34 75.490 2.387 1.488 0.955 1.000 0.788 CB 1.521 34 residues pruned to eliminate duplicates Z: 97 115.814 2.419 1.326 0.836 0.969 0.823 CB 1.623 98 residues pruned to eliminate duplicates Z: 86 105.073 2.411 1.234 0.816 0.976 0.788 CB 1.646 86 residues pruned to eliminate duplicates Z: 45 79.713 2.510 1.068 0.832 0.955 0.909 CB 1.821 45 residues pruned to eliminate duplicates Z: 171 150.928 2.390 1.240 0.819 0.976 0.765 CB 1.678 171 residues pruned to eliminate duplicates Z: 118 127.540 2.438 1.124 0.838 0.957 0.744 CB 1.777 118 residues pruned to eliminate duplicates Z: 10 17.970 2.081 0.700 0.715 1.000 0.444 CA 1.393 10 residues pruned to eliminate duplicates Z: 90 116.290 2.429 1.321 0.826 0.989 0.831 CB 1.667 90 residues pruned to eliminate duplicates Z: 22 53.252 2.432 0.983 0.906 1.000 0.810 CB 1.714 22 residues pruned to eliminate duplicates Z: 36 48.961 2.068 0.913 0.903 1.000 0.800 CB 1.492 36 residues pruned to eliminate duplicates Z: 59 98.042 2.420 1.398 0.824 0.983 0.897 CB 1.705 59 residues pruned to eliminate duplicates Z: 19 31.481 2.226 0.981 0.624 0.889 0.722 CB 1.684 19 residues pruned to eliminate duplicates Z: 92 104.494 2.346 1.260 0.801 0.978 0.780 CB 1.623 92 residues pruned to eliminate duplicates Z: 29 74.190 2.483 1.344 0.915 1.000 0.786 CB 1.702 29 residues pruned to eliminate duplicates Z: 20 34.759 2.208 1.142 0.651 0.947 0.842 CB 1.546 20 residues pruned to eliminate duplicates Z: 25 65.902 2.463 1.270 0.900 1.000 0.875 CB 1.719 25 residues pruned to eliminate duplicates Z: 12 23.617 2.006 0.844 0.837 0.909 0.455 CB 1.584 12 residues pruned to eliminate duplicates Z: 8 7.006 1.960 0.537 0.273 0.714 0.143 CB 1.593 8 residues pruned to eliminate duplicates Z: 21 54.377 2.420 1.052 0.909 1.000 0.900 CB 1.738 21 residues pruned to eliminate duplicates Z: 7 8.047 1.966 0.091 0.594 1.000 0.667 CB 1.400 7 residues pruned to eliminate duplicates Z: 38 53.617 2.227 0.980 0.810 0.973 0.730 CB 1.568 38 residues pruned to eliminate duplicates Z: 8 2.269 1.329 0.121 0.341 0.714 0.571 CB 0.958 Z: 83 99.443 2.438 1.034 0.813 0.988 0.780 CB 1.708 83 residues pruned to eliminate duplicates Z: 102 121.313 2.454 1.083 0.848 0.980 0.812 CB 1.788 102 residues pruned to eliminate duplicates Z: 11 45.033 2.477 1.030 0.907 1.000 1.000 CA 2.013 11 residues pruned to eliminate duplicates Z: 28 49.955 2.227 1.160 0.798 0.926 0.852 CB 1.662 28 residues pruned to eliminate duplicates Z: 42 67.901 2.282 1.143 0.826 1.000 0.854 CB 1.634 42 residues pruned to eliminate duplicates Z: 8 3.898 1.416 0.839 0.350 0.714 0.571 N 0.932 221 residues left after pruning, divided into chains as follows: A: 221 CC for partial structure against native data = 44.59 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.668, Connect. = 0.807 for dens.mod. cycle 1 = 0.300, Contrast = 0.761, Connect. = 0.830 for dens.mod. cycle 2 = 0.300, Contrast = 0.929, Connect. = 0.852 for dens.mod. cycle 3 = 0.300, Contrast = 0.947, Connect. = 0.854 for dens.mod. cycle 4 = 0.300, Contrast = 0.964, Connect. = 0.856 for dens.mod. cycle 5 = 0.300, Contrast = 0.968, Connect. = 0.857 for dens.mod. cycle 6 = 0.300, Contrast = 0.973, Connect. = 0.858 for dens.mod. cycle 7 = 0.300, Contrast = 0.975, Connect. = 0.858 for dens.mod. cycle 8 = 0.300, Contrast = 0.976, Connect. = 0.859 for dens.mod. cycle 9 = 0.300, Contrast = 0.977, Connect. = 0.859 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1509 peaks > 0.5 sigma used to seed fragment search Space for about 385 unique residues taking solvent into account 300 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 18 41.674 2.530 0.526 0.829 1.000 0.647 CB 1.969 B: 35 64.789 2.494 0.754 0.881 0.971 0.735 CB 1.896 18 residues pruned to eliminate duplicates C: 29 77.221 2.583 1.128 0.868 0.929 0.643 CA 2.090 D: 10 50.295 2.702 1.042 0.871 1.000 0.667 CB 2.216 10 residues pruned to eliminate duplicates E: 31 63.971 2.362 1.099 0.917 0.967 0.833 CB 1.720 F: 53 72.467 2.383 0.690 0.897 1.000 0.769 CB 1.786 23 residues pruned to eliminate duplicates G: 10 22.464 2.256 0.611 0.870 1.000 0.556 CB 1.504 10 residues pruned to eliminate duplicates H: 12 34.942 2.386 0.956 0.856 0.909 0.727 CA 1.832 12 residues pruned to eliminate duplicates I: 20 64.470 2.561 1.385 0.843 0.895 0.789 CB 2.014 20 residues pruned to eliminate duplicates J: 26 79.190 2.573 1.162 0.935 0.960 0.800 CB 2.066 26 residues pruned to eliminate duplicates K: 22 67.203 2.469 1.140 0.938 0.952 0.857 CA 2.026 L: 33 81.362 2.502 1.123 0.961 1.000 0.938 CB 1.853 M: 34 76.779 2.437 1.139 0.940 1.000 0.879 CB 1.780 34 residues pruned to eliminate duplicates N: 22 70.167 2.489 1.259 0.942 1.000 0.857 CA 1.889 22 residues pruned to eliminate duplicates O: 33 64.741 2.586 0.739 0.877 0.969 0.750 CB 1.907 35 residues pruned to eliminate duplicates P: 22 64.429 2.515 1.029 0.928 0.952 0.905 CA 2.026 22 residues pruned to eliminate duplicates Q: 22 68.229 2.466 1.126 0.935 1.000 0.857 CA 1.979 23 residues pruned to eliminate duplicates R: 19 58.605 2.601 1.037 0.838 0.944 0.778 CA 2.064 19 residues pruned to eliminate duplicates S: 36 53.261 2.462 0.452 0.874 0.971 0.771 CB 1.886 36 residues pruned to eliminate duplicates T: 23 64.271 2.414 1.178 0.926 0.955 0.864 CA 1.915 22 residues pruned to eliminate duplicates U: 20 63.139 2.527 1.323 0.836 0.895 0.632 CA 2.064 21 residues pruned to eliminate duplicates V: 22 66.496 2.442 1.193 0.956 1.000 0.857 CA 1.861 22 residues pruned to eliminate duplicates W: 28 62.141 2.473 1.013 0.837 0.889 0.630 CB 2.021 28 residues pruned to eliminate duplicates X: 24 55.259 2.463 1.045 0.811 0.913 0.565 CA 1.912 24 residues pruned to eliminate duplicates Y: 29 66.503 2.586 1.007 0.848 0.893 0.571 CA 2.012 29 residues pruned to eliminate duplicates Z: 11 25.047 2.428 0.761 0.723 0.800 0.700 CB 1.893 11 residues pruned to eliminate duplicates Z: 31 60.306 2.357 0.988 0.896 0.967 0.900 CB 1.741 31 residues pruned to eliminate duplicates Z: 22 66.841 2.441 1.228 0.953 0.952 0.857 CA 1.938 22 residues pruned to eliminate duplicates Z: 23 55.337 2.394 0.912 0.902 1.000 0.818 CB 1.839 Z: 29 78.286 2.590 1.064 0.853 0.964 0.679 CA 2.122 29 residues pruned to eliminate duplicates Z: 30 50.843 2.415 0.555 0.896 1.000 0.897 CB 1.801 30 residues pruned to eliminate duplicates Z: 31 57.528 2.355 0.868 0.903 0.967 0.933 CB 1.761 31 residues pruned to eliminate duplicates Z: 33 76.540 2.488 1.093 0.958 1.000 0.938 CB 1.782 33 residues pruned to eliminate duplicates Z: 64 66.468 2.349 0.629 0.888 0.952 0.730 CB 1.656 64 residues pruned to eliminate duplicates Z: 29 58.477 2.517 0.705 0.916 1.000 0.857 CB 1.819 29 residues pruned to eliminate duplicates Z: 24 90.220 2.722 1.247 0.920 1.000 0.739 CB 2.166 27 residues pruned to eliminate duplicates Z: 22 66.979 2.484 1.112 0.934 0.952 0.810 CA 2.040 22 residues pruned to eliminate duplicates Z: 20 54.522 2.392 1.126 0.863 0.947 0.737 CA 1.905 20 residues pruned to eliminate duplicates Z: 33 74.597 2.486 1.018 0.966 1.000 0.938 CB 1.793 33 residues pruned to eliminate duplicates Z: 15 31.808 2.350 0.705 0.789 0.857 0.714 CB 1.920 15 residues pruned to eliminate duplicates Z: 23 55.812 2.378 1.026 0.919 0.955 0.818 CA 1.823 23 residues pruned to eliminate duplicates Z: 34 60.246 2.535 0.681 0.853 0.970 0.727 CB 1.875 34 residues pruned to eliminate duplicates Z: 13 42.300 2.526 0.914 0.924 1.000 1.000 CB 1.773 13 residues pruned to eliminate duplicates Z: 22 49.537 2.574 0.509 0.868 1.000 0.905 CB 2.034 22 residues pruned to eliminate duplicates Z: 16 56.243 2.618 1.073 0.830 0.933 0.600 CB 2.154 16 residues pruned to eliminate duplicates Z: 33 81.400 2.502 1.243 0.963 1.000 0.906 CB 1.752 33 residues pruned to eliminate duplicates Z: 22 67.338 2.460 1.124 0.941 1.000 0.762 CA 1.951 22 residues pruned to eliminate duplicates Z: 29 77.283 2.602 1.130 0.882 0.929 0.786 CA 2.054 29 residues pruned to eliminate duplicates Z: 34 75.607 2.439 1.084 0.939 1.000 0.909 CB 1.799 34 residues pruned to eliminate duplicates Z: 34 85.915 2.412 1.461 0.950 1.000 0.848 CB 1.737 33 residues pruned to eliminate duplicates Z: 27 54.084 2.431 0.753 0.935 0.962 0.885 CB 1.804 27 residues pruned to eliminate duplicates Z: 64 75.565 2.336 0.753 0.902 0.968 0.730 CB 1.712 64 residues pruned to eliminate duplicates Z: 33 76.062 2.466 1.043 0.950 1.000 0.844 CB 1.841 34 residues pruned to eliminate duplicates Z: 33 79.435 2.494 1.153 0.952 1.000 0.875 CB 1.801 33 residues pruned to eliminate duplicates Z: 33 71.750 2.458 1.018 0.956 1.000 0.938 CB 1.756 33 residues pruned to eliminate duplicates Z: 29 66.306 2.497 1.006 0.920 1.000 0.857 CB 1.762 30 residues pruned to eliminate duplicates Z: 27 61.682 2.603 0.920 0.854 0.846 0.769 CA 2.113 27 residues pruned to eliminate duplicates Z: 22 50.396 2.453 0.803 0.883 1.000 0.857 CB 1.798 22 residues pruned to eliminate duplicates Z: 34 80.582 2.440 1.237 0.948 0.970 0.939 CB 1.830 34 residues pruned to eliminate duplicates Z: 34 70.605 2.424 0.906 0.944 1.000 0.909 CB 1.842 34 residues pruned to eliminate duplicates Z: 22 61.899 2.490 1.039 0.939 0.905 0.857 CA 2.044 22 residues pruned to eliminate duplicates Z: 26 67.856 2.531 1.038 0.960 1.000 0.960 CB 1.802 27 residues pruned to eliminate duplicates Z: 28 45.402 2.335 0.577 0.930 0.963 0.889 CB 1.722 28 residues pruned to eliminate duplicates Z: 31 54.409 2.342 0.760 0.900 1.000 0.867 CB 1.721 31 residues pruned to eliminate duplicates Z: 33 85.638 2.480 1.352 0.947 0.969 0.875 CB 1.850 32 residues pruned to eliminate duplicates Z: 32 73.926 2.491 1.116 0.944 1.000 0.839 CB 1.744 33 residues pruned to eliminate duplicates Z: 23 64.156 2.384 1.225 0.943 0.955 0.909 CA 1.872 23 residues pruned to eliminate duplicates Z: 23 59.296 2.406 1.035 0.922 0.955 0.818 CA 1.902 23 residues pruned to eliminate duplicates Z: 13 23.365 2.044 0.678 0.873 1.000 0.667 CB 1.431 Z: 34 74.277 2.439 1.095 0.958 1.000 0.909 CB 1.735 34 residues pruned to eliminate duplicates Z: 23 53.511 2.376 0.962 0.897 1.000 0.864 CB 1.752 23 residues pruned to eliminate duplicates Z: 17 39.692 2.246 0.878 0.812 0.938 0.562 CB 1.913 17 residues pruned to eliminate duplicates Z: 33 81.533 2.509 1.217 0.962 1.000 0.875 CB 1.772 33 residues pruned to eliminate duplicates Z: 28 40.742 2.316 0.426 0.928 0.963 0.926 CB 1.727 28 residues pruned to eliminate duplicates Z: 33 74.012 2.492 0.978 0.959 1.000 0.906 CB 1.819 33 residues pruned to eliminate duplicates Z: 30 53.405 2.388 0.596 0.889 1.000 0.862 CB 1.873 30 residues pruned to eliminate duplicates Z: 65 74.899 2.362 0.629 0.907 0.984 0.781 CB 1.757 65 residues pruned to eliminate duplicates Z: 12 26.693 2.154 0.719 0.902 1.000 0.545 CB 1.550 12 residues pruned to eliminate duplicates Z: 21 63.121 2.535 1.086 0.923 0.950 0.900 CA 1.975 21 residues pruned to eliminate duplicates Z: 52 74.506 2.407 0.931 0.810 0.941 0.647 CB 1.820 50 residues pruned to eliminate duplicates Z: 22 67.011 2.481 1.248 0.936 0.905 0.857 CA 2.017 22 residues pruned to eliminate duplicates Z: 51 68.259 2.404 0.637 0.906 1.000 0.820 CB 1.746 51 residues pruned to eliminate duplicates Z: 34 80.692 2.428 1.391 0.952 0.970 0.879 CB 1.719 34 residues pruned to eliminate duplicates Z: 20 45.222 2.402 0.825 0.822 0.947 0.842 CA 1.890 20 residues pruned to eliminate duplicates Z: 13 27.528 2.022 0.984 0.865 0.917 0.750 CA 1.583 13 residues pruned to eliminate duplicates Z: 13 24.580 2.059 0.656 0.903 1.000 0.667 CB 1.484 13 residues pruned to eliminate duplicates Z: 22 43.169 2.418 0.552 0.882 1.000 0.714 CB 1.818 22 residues pruned to eliminate duplicates Z: 22 34.977 2.220 0.658 0.848 0.952 0.857 CB 1.615 22 residues pruned to eliminate duplicates Z: 22 54.962 2.445 1.002 0.898 1.000 0.762 CB 1.753 22 residues pruned to eliminate duplicates Z: 53 70.081 2.360 0.685 0.897 0.981 0.788 CB 1.784 53 residues pruned to eliminate duplicates Z: 24 60.186 2.321 1.182 0.928 0.957 0.870 CA 1.814 24 residues pruned to eliminate duplicates Z: 31 51.712 2.356 0.584 0.912 1.000 0.833 CB 1.792 31 residues pruned to eliminate duplicates Z: 31 43.235 2.181 0.635 0.874 1.000 0.800 CB 1.611 31 residues pruned to eliminate duplicates Z: 27 73.561 2.641 0.946 0.872 1.000 0.846 CB 2.046 27 residues pruned to eliminate duplicates Z: 34 79.533 2.454 1.336 0.950 0.970 0.788 CB 1.718 34 residues pruned to eliminate duplicates Z: 29 67.718 2.521 1.002 0.917 1.000 0.821 CB 1.789 29 residues pruned to eliminate duplicates Z: 64 73.806 2.376 0.661 0.901 0.952 0.810 CB 1.766 64 residues pruned to eliminate duplicates Z: 17 34.724 2.507 0.387 0.858 0.938 0.812 CB 1.960 17 residues pruned to eliminate duplicates Z: 33 86.705 2.503 1.257 0.962 1.000 0.875 CB 1.856 33 residues pruned to eliminate duplicates Z: 23 52.222 2.502 0.718 0.877 0.955 0.682 CB 1.970 23 residues pruned to eliminate duplicates Z: 22 45.120 2.442 0.701 0.887 0.952 0.714 CB 1.795 22 residues pruned to eliminate duplicates Z: 47 67.538 2.368 0.812 0.878 0.957 0.696 CB 1.761 47 residues pruned to eliminate duplicates Z: 8 27.997 2.621 0.663 0.898 1.000 0.571 CB 1.736 8 residues pruned to eliminate duplicates Z: 29 72.829 2.476 1.193 0.926 1.000 0.679 CB 1.777 29 residues pruned to eliminate duplicates Z: 27 50.071 2.445 0.650 0.919 0.962 0.885 CB 1.783 27 residues pruned to eliminate duplicates Z: 22 49.392 2.463 0.868 0.904 0.952 0.762 CB 1.752 22 residues pruned to eliminate duplicates Z: 33 79.435 2.490 1.137 0.955 1.000 0.844 CB 1.813 33 residues pruned to eliminate duplicates Z: 34 51.220 2.186 0.762 0.905 1.000 0.788 CB 1.647 34 residues pruned to eliminate duplicates Z: 22 53.980 2.421 0.967 0.887 1.000 0.619 CB 1.783 22 residues pruned to eliminate duplicates Z: 35 52.902 2.492 0.550 0.863 0.971 0.794 CB 1.776 35 residues pruned to eliminate duplicates Z: 36 48.254 2.146 0.718 0.887 0.971 0.857 CB 1.641 36 residues pruned to eliminate duplicates Z: 31 48.173 2.254 0.753 0.910 0.967 0.800 CB 1.633 31 residues pruned to eliminate duplicates Z: 33 82.443 2.486 1.274 0.966 1.000 0.938 CB 1.759 33 residues pruned to eliminate duplicates Z: 62 75.594 2.419 0.721 0.885 0.951 0.770 CB 1.766 62 residues pruned to eliminate duplicates Z: 33 52.305 2.450 0.643 0.868 0.938 0.719 CB 1.791 33 residues pruned to eliminate duplicates Z: 25 69.913 2.293 1.346 0.919 1.000 0.708 CB 1.870 25 residues pruned to eliminate duplicates Z: 22 55.152 2.426 0.871 0.926 1.000 0.905 CA 1.860 22 residues pruned to eliminate duplicates Z: 11 34.913 2.471 0.525 0.935 1.000 1.000 CB 2.042 11 residues pruned to eliminate duplicates Z: 43 66.193 2.395 0.773 0.886 0.952 0.810 CB 1.823 43 residues pruned to eliminate duplicates Z: 30 51.525 2.422 0.541 0.908 1.000 0.931 CB 1.821 30 residues pruned to eliminate duplicates Z: 21 46.338 2.548 0.540 0.875 0.950 0.850 CB 2.021 21 residues pruned to eliminate duplicates Z: 24 38.391 2.541 0.398 0.862 0.913 0.783 CB 1.812 24 residues pruned to eliminate duplicates Z: 23 43.414 2.345 0.647 0.877 1.000 0.864 CB 1.740 23 residues pruned to eliminate duplicates Z: 30 72.090 2.427 1.180 0.926 1.000 0.690 CB 1.773 30 residues pruned to eliminate duplicates Z: 31 68.271 2.367 1.205 0.901 0.967 0.800 CB 1.763 30 residues pruned to eliminate duplicates Z: 53 88.479 2.536 0.949 0.828 0.962 0.788 CB 1.944 54 residues pruned to eliminate duplicates Z: 13 23.692 2.073 0.584 0.875 0.917 0.750 CA 1.653 13 residues pruned to eliminate duplicates Z: 31 63.556 2.581 0.717 0.914 1.000 0.733 CB 1.852 31 residues pruned to eliminate duplicates Z: 64 72.151 2.401 0.636 0.892 0.952 0.778 CB 1.745 64 residues pruned to eliminate duplicates Z: 23 47.496 2.360 0.825 0.899 1.000 0.864 CB 1.680 23 residues pruned to eliminate duplicates Z: 30 51.645 2.258 0.787 0.938 1.000 0.931 CB 1.653 30 residues pruned to eliminate duplicates Z: 45 64.187 2.261 0.780 0.880 1.000 0.682 CB 1.743 45 residues pruned to eliminate duplicates Z: 22 73.572 2.483 1.311 0.935 0.952 0.905 CA 2.048 22 residues pruned to eliminate duplicates Z: 13 28.275 2.530 0.998 0.661 0.833 0.667 CB 1.669 13 residues pruned to eliminate duplicates Z: 45 62.153 2.309 0.795 0.869 0.977 0.682 CB 1.690 45 residues pruned to eliminate duplicates Z: 32 88.010 2.539 1.367 0.966 1.000 0.839 CB 1.795 32 residues pruned to eliminate duplicates Z: 62 81.373 2.423 0.774 0.885 0.984 0.787 CB 1.780 62 residues pruned to eliminate duplicates Z: 14 39.928 2.350 0.926 0.906 1.000 0.846 CB 1.740 14 residues pruned to eliminate duplicates Z: 13 41.302 2.371 0.882 0.871 1.000 0.833 CA 1.949 13 residues pruned to eliminate duplicates Z: 27 65.126 2.407 1.211 0.929 0.962 0.769 CB 1.747 27 residues pruned to eliminate duplicates Z: 22 49.545 2.439 0.853 0.905 0.952 0.905 CB 1.788 22 residues pruned to eliminate duplicates Z: 22 46.989 2.404 0.900 0.835 0.952 0.810 CB 1.765 22 residues pruned to eliminate duplicates Z: 10 28.561 2.316 0.579 0.923 1.000 1.000 CB 1.829 10 residues pruned to eliminate duplicates Z: 63 84.231 2.426 0.776 0.885 1.000 0.710 CB 1.793 63 residues pruned to eliminate duplicates Z: 22 43.484 2.427 0.664 0.886 0.952 0.762 CB 1.780 22 residues pruned to eliminate duplicates Z: 30 45.969 2.413 0.423 0.916 0.966 0.897 CB 1.819 30 residues pruned to eliminate duplicates Z: 22 50.998 2.469 0.797 0.916 1.000 0.857 CB 1.771 22 residues pruned to eliminate duplicates Z: 13 26.789 2.045 0.980 0.923 0.833 0.667 CB 1.611 13 residues pruned to eliminate duplicates Z: 52 84.887 2.506 0.943 0.831 1.000 0.863 CB 1.834 54 residues pruned to eliminate duplicates Z: 28 45.175 2.343 0.628 0.906 0.963 0.963 CB 1.683 28 residues pruned to eliminate duplicates Z: 22 44.337 2.429 0.706 0.893 1.000 0.762 CB 1.676 22 residues pruned to eliminate duplicates Z: 63 86.310 2.446 0.949 0.890 0.968 0.855 CB 1.710 63 residues pruned to eliminate duplicates Z: 48 68.709 2.361 0.839 0.891 0.957 0.723 CB 1.733 48 residues pruned to eliminate duplicates Z: 46 60.948 2.347 0.753 0.900 0.889 0.822 CB 1.774 46 residues pruned to eliminate duplicates Z: 19 47.870 2.486 1.100 0.830 0.833 0.556 CA 1.950 19 residues pruned to eliminate duplicates Z: 25 63.143 2.480 0.768 0.956 1.000 0.875 CB 2.020 25 residues pruned to eliminate duplicates Z: 12 28.544 2.092 0.786 0.927 1.000 0.818 CB 1.615 12 residues pruned to eliminate duplicates Z: 10 38.802 2.298 1.085 0.918 1.000 0.778 CA 1.904 10 residues pruned to eliminate duplicates Z: 154 150.155 2.479 1.172 0.833 0.954 0.758 CB 1.772 150 residues pruned to eliminate duplicates Z: 34 43.662 2.191 0.705 0.868 0.909 0.818 CB 1.636 34 residues pruned to eliminate duplicates Z: 35 45.437 2.192 0.599 0.867 0.971 0.794 CB 1.676 35 residues pruned to eliminate duplicates Z: 63 87.985 2.415 0.893 0.899 0.984 0.726 CB 1.776 63 residues pruned to eliminate duplicates Z: 29 77.100 2.494 1.248 0.936 0.964 0.857 CB 1.877 29 residues pruned to eliminate duplicates Z: 7 28.978 2.318 1.078 0.894 1.000 1.000 CA 1.762 7 residues pruned to eliminate duplicates Z: 7 17.516 2.240 0.295 0.896 1.000 1.000 CB 1.766 7 residues pruned to eliminate duplicates Z: 22 50.068 2.432 0.835 0.913 1.000 0.905 CB 1.732 22 residues pruned to eliminate duplicates Z: 134 128.913 2.512 0.914 0.809 0.962 0.789 CB 1.845 134 residues pruned to eliminate duplicates Z: 34 70.466 2.422 1.006 0.952 1.000 0.879 CB 1.739 34 residues pruned to eliminate duplicates Z: 64 72.133 2.380 0.674 0.885 0.968 0.746 CB 1.700 64 residues pruned to eliminate duplicates Z: 32 89.677 2.519 1.442 0.952 0.968 0.806 CB 1.863 32 residues pruned to eliminate duplicates Z: 34 49.611 2.207 0.803 0.884 0.970 0.818 CB 1.617 34 residues pruned to eliminate duplicates Z: 9 8.588 1.898 0.641 0.444 0.875 0.750 CB 1.180 Z: 29 46.007 2.256 0.674 0.917 1.000 0.786 CB 1.626 29 residues pruned to eliminate duplicates Z: 27 68.803 2.440 1.133 0.942 0.962 0.846 CB 1.869 27 residues pruned to eliminate duplicates Z: 30 49.220 2.212 0.957 0.917 0.966 0.759 CB 1.542 30 residues pruned to eliminate duplicates Z: 36 59.951 2.456 0.573 0.894 1.000 0.829 CB 1.882 36 residues pruned to eliminate duplicates Z: 7 11.376 1.798 0.611 0.706 1.000 0.667 CB 1.330 6 residues pruned to eliminate duplicates Z: 51 81.692 2.457 1.167 0.795 0.960 0.760 CB 1.745 51 residues pruned to eliminate duplicates Z: 7 8.841 1.625 0.509 0.835 1.000 0.500 CA 1.103 7 residues pruned to eliminate duplicates Z: 20 52.452 2.511 0.838 0.836 0.947 0.789 CA 2.060 20 residues pruned to eliminate duplicates Z: 11 28.878 2.200 0.736 0.937 1.000 0.800 CB 1.663 11 residues pruned to eliminate duplicates Z: 29 53.433 2.497 0.617 0.910 0.964 0.893 CB 1.840 29 residues pruned to eliminate duplicates Z: 221 180.169 2.497 1.073 0.833 0.964 0.736 CB 1.827 222 residues pruned to eliminate duplicates Z: 30 70.442 2.443 1.116 0.905 0.966 0.828 CB 1.865 30 residues pruned to eliminate duplicates Z: 12 26.682 2.135 0.958 0.898 0.909 0.909 CB 1.514 12 residues pruned to eliminate duplicates Z: 32 87.764 2.534 1.351 0.960 1.000 0.774 CB 1.812 32 residues pruned to eliminate duplicates Z: 37 58.832 2.483 0.907 0.767 0.944 0.778 CB 1.731 37 residues pruned to eliminate duplicates Z: 35 48.658 2.171 0.783 0.887 0.971 0.794 CB 1.601 35 residues pruned to eliminate duplicates Z: 64 74.208 2.356 0.678 0.893 0.968 0.746 CB 1.754 64 residues pruned to eliminate duplicates Z: 65 85.523 2.478 0.919 0.763 1.000 0.719 CB 1.781 65 residues pruned to eliminate duplicates Z: 6 2.762 1.396 0.577 0.294 1.000 0.400 N 0.706 Z: 18 51.561 2.548 0.737 0.888 1.000 0.824 CB 2.035 18 residues pruned to eliminate duplicates Z: 125 118.807 2.464 0.945 0.816 0.960 0.726 CB 1.763 125 residues pruned to eliminate duplicates Z: 22 47.119 2.399 0.730 0.887 1.000 0.857 CB 1.786 22 residues pruned to eliminate duplicates Z: 126 140.449 2.495 1.148 0.824 0.984 0.768 CB 1.799 126 residues pruned to eliminate duplicates Z: 63 81.475 2.416 0.709 0.903 1.000 0.871 CB 1.786 63 residues pruned to eliminate duplicates Z: 28 69.156 2.673 1.090 0.833 0.852 0.630 CB 2.099 28 residues pruned to eliminate duplicates Z: 49 84.284 2.443 1.229 0.792 0.979 0.833 CB 1.766 49 residues pruned to eliminate duplicates Z: 8 30.783 2.533 1.019 0.748 1.000 0.857 CB 1.823 8 residues pruned to eliminate duplicates Z: 55 68.123 2.328 0.752 0.892 0.944 0.704 CB 1.729 55 residues pruned to eliminate duplicates Z: 33 55.485 2.469 0.615 0.868 0.969 0.625 CB 1.856 33 residues pruned to eliminate duplicates Z: 93 96.573 2.425 0.815 0.794 0.967 0.793 CB 1.828 93 residues pruned to eliminate duplicates Z: 109 125.353 2.436 1.189 0.801 0.991 0.750 CB 1.755 109 residues pruned to eliminate duplicates Z: 51 67.075 2.385 0.931 0.720 0.900 0.740 CB 1.876 51 residues pruned to eliminate duplicates Z: 175 149.912 2.437 1.060 0.813 0.960 0.782 CB 1.796 175 residues pruned to eliminate duplicates Z: 112 131.964 2.483 1.207 0.825 0.973 0.793 CB 1.773 112 residues pruned to eliminate duplicates Z: 104 100.896 2.443 0.880 0.802 0.951 0.748 CB 1.748 104 residues pruned to eliminate duplicates Z: 7 14.273 1.966 1.309 0.535 0.833 0.667 CB 1.488 7 residues pruned to eliminate duplicates Z: 19 28.857 2.202 0.626 0.627 1.000 0.833 CB 1.685 19 residues pruned to eliminate duplicates Z: 61 89.432 2.393 1.169 0.811 0.983 0.883 CB 1.725 61 residues pruned to eliminate duplicates Z: 193 160.386 2.478 1.012 0.814 0.974 0.755 CB 1.814 193 residues pruned to eliminate duplicates Z: 32 64.249 2.389 1.299 0.789 0.968 0.871 CB 1.684 32 residues pruned to eliminate duplicates Z: 15 17.662 2.026 0.684 0.554 0.929 0.643 CB 1.413 15 residues pruned to eliminate duplicates Z: 61 97.223 2.399 1.348 0.804 0.983 0.817 CB 1.738 61 residues pruned to eliminate duplicates Z: 105 109.426 2.463 0.808 0.814 0.971 0.779 CB 1.889 106 residues pruned to eliminate duplicates Z: 64 97.416 2.456 1.215 0.832 0.984 0.825 CB 1.721 64 residues pruned to eliminate duplicates Z: 44 74.195 2.387 1.161 0.789 0.977 0.814 CB 1.742 44 residues pruned to eliminate duplicates Z: 86 112.166 2.462 1.169 0.816 0.988 0.800 CB 1.752 86 residues pruned to eliminate duplicates Z: 51 82.152 2.438 0.974 0.846 0.960 0.760 CB 1.869 51 residues pruned to eliminate duplicates Z: 52 77.210 2.418 1.151 0.784 0.922 0.843 CB 1.758 52 residues pruned to eliminate duplicates Z: 14 35.492 2.324 1.131 0.851 0.923 0.692 CB 1.593 14 residues pruned to eliminate duplicates Z: 23 49.455 2.363 0.841 0.895 1.000 0.864 CB 1.738 23 residues pruned to eliminate duplicates Z: 22 38.986 2.334 0.723 0.687 1.000 0.905 CB 1.783 22 residues pruned to eliminate duplicates Z: 35 51.091 2.186 0.774 0.907 0.941 0.853 CB 1.705 35 residues pruned to eliminate duplicates Z: 46 71.189 2.398 0.888 0.856 0.978 0.778 CB 1.769 46 residues pruned to eliminate duplicates Z: 30 73.038 2.445 1.171 0.930 1.000 0.862 CB 1.787 30 residues pruned to eliminate duplicates Z: 37 48.214 2.178 0.869 0.856 0.917 0.750 CB 1.588 37 residues pruned to eliminate duplicates Z: 34 84.259 2.427 1.370 0.947 1.000 0.879 CB 1.763 34 residues pruned to eliminate duplicates Z: 80 101.486 2.504 0.945 0.822 1.000 0.785 CB 1.774 80 residues pruned to eliminate duplicates Z: 60 88.639 2.439 0.897 0.828 1.000 0.712 CB 1.878 60 residues pruned to eliminate duplicates Z: 6 3.479 1.549 0.271 0.444 0.800 0.400 CB 1.046 Z: 47 77.270 2.481 1.019 0.770 0.957 0.783 CB 1.872 47 residues pruned to eliminate duplicates Z: 109 113.631 2.461 0.914 0.826 0.926 0.750 CB 1.890 108 residues pruned to eliminate duplicates Z: 23 58.346 2.407 1.159 0.938 0.909 0.773 CB 1.832 23 residues pruned to eliminate duplicates Z: 71 91.828 2.421 0.830 0.832 1.000 0.714 CB 1.861 71 residues pruned to eliminate duplicates Z: 118 134.373 2.532 0.961 0.821 0.983 0.735 CB 1.927 118 residues pruned to eliminate duplicates Z: 141 147.566 2.506 0.996 0.840 0.986 0.743 CB 1.887 141 residues pruned to eliminate duplicates Z: 11 24.017 2.101 0.764 0.759 0.900 0.700 CA 1.809 11 residues pruned to eliminate duplicates Z: 94 119.330 2.516 0.958 0.835 0.989 0.796 CB 1.902 94 residues pruned to eliminate duplicates Z: 120 142.635 2.488 1.239 0.812 0.992 0.840 CB 1.804 120 residues pruned to eliminate duplicates Z: 28 57.351 2.587 0.722 0.757 1.000 0.778 CB 1.970 28 residues pruned to eliminate duplicates Z: 27 72.998 2.692 1.105 0.776 0.962 0.808 CB 2.058 27 residues pruned to eliminate duplicates Z: 12 15.322 1.979 0.820 0.822 0.818 0.818 CB 1.185 13 residues pruned to eliminate duplicates Z: 75 92.471 2.433 0.944 0.814 0.946 0.770 CB 1.829 75 residues pruned to eliminate duplicates Z: 12 26.552 2.105 0.858 0.917 1.000 0.636 CB 1.444 12 residues pruned to eliminate duplicates Z: 221 162.796 2.495 0.879 0.818 0.955 0.764 CB 1.860 221 residues pruned to eliminate duplicates Z: 11 25.204 2.173 0.693 0.899 1.000 0.800 CB 1.548 11 residues pruned to eliminate duplicates Z: 33 90.498 2.490 1.411 0.962 1.000 0.781 CB 1.823 33 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 156 130.093 2.453 0.929 0.798 0.955 0.735 CB 1.782 156 residues pruned to eliminate duplicates Z: 106 115.938 2.503 0.990 0.812 0.971 0.819 CB 1.783 106 residues pruned to eliminate duplicates Z: 106 115.380 2.516 0.963 0.814 0.962 0.810 CB 1.803 106 residues pruned to eliminate duplicates Z: 108 116.744 2.475 1.022 0.808 0.991 0.776 CB 1.741 108 residues pruned to eliminate duplicates Z: 208 172.241 2.526 0.942 0.846 0.971 0.778 CB 1.867 208 residues pruned to eliminate duplicates Z: 107 114.044 2.478 1.033 0.817 0.953 0.783 CB 1.751 107 residues pruned to eliminate duplicates Z: 106 117.969 2.512 0.975 0.822 0.981 0.829 CB 1.789 106 residues pruned to eliminate duplicates Z: 155 141.687 2.480 0.998 0.824 0.968 0.714 CB 1.798 155 residues pruned to eliminate duplicates Z: 154 125.584 2.420 0.929 0.786 0.967 0.745 CB 1.748 154 residues pruned to eliminate duplicates Z: 152 146.219 2.498 0.980 0.851 0.987 0.801 CB 1.804 152 residues pruned to eliminate duplicates Z: 33 77.273 2.478 1.136 0.950 1.000 0.906 CB 1.780 33 residues pruned to eliminate duplicates Z: 156 134.481 2.476 0.964 0.832 0.935 0.723 CB 1.784 156 residues pruned to eliminate duplicates Z: 107 115.738 2.509 0.963 0.809 0.981 0.764 CB 1.776 107 residues pruned to eliminate duplicates Z: 108 117.415 2.479 0.956 0.808 1.000 0.776 CB 1.790 108 residues pruned to eliminate duplicates Z: 108 119.410 2.489 1.050 0.803 0.981 0.748 CB 1.769 108 residues pruned to eliminate duplicates Z: 105 119.805 2.520 1.057 0.825 0.962 0.779 CB 1.779 105 residues pruned to eliminate duplicates Z: 215 162.265 2.482 0.909 0.819 0.977 0.776 CB 1.817 215 residues pruned to eliminate duplicates Z: 108 117.522 2.481 1.018 0.810 0.981 0.776 CB 1.766 108 residues pruned to eliminate duplicates Z: 154 141.717 2.473 1.028 0.834 0.961 0.752 CB 1.782 154 residues pruned to eliminate duplicates Z: 107 116.887 2.499 1.001 0.809 0.972 0.792 CB 1.785 107 residues pruned to eliminate duplicates Z: 109 114.620 2.478 1.018 0.799 0.963 0.778 CB 1.763 109 residues pruned to eliminate duplicates Z: 109 118.132 2.494 0.987 0.821 0.972 0.815 CB 1.786 109 residues pruned to eliminate duplicates Z: 154 145.180 2.475 1.026 0.843 0.987 0.745 CB 1.767 154 residues pruned to eliminate duplicates Z: 158 143.154 2.463 1.035 0.829 0.968 0.726 CB 1.771 158 residues pruned to eliminate duplicates Z: 154 139.975 2.473 1.011 0.838 0.954 0.732 CB 1.783 154 residues pruned to eliminate duplicates Z: 134 135.129 2.511 1.007 0.801 0.977 0.789 CB 1.829 134 residues pruned to eliminate duplicates Z: 155 141.168 2.466 1.033 0.830 0.961 0.760 CB 1.776 155 residues pruned to eliminate duplicates Z: 158 139.665 2.485 0.971 0.833 0.943 0.720 CB 1.810 158 residues pruned to eliminate duplicates Z: 110 119.480 2.457 1.071 0.800 0.982 0.771 CB 1.763 110 residues pruned to eliminate duplicates Z: 153 146.003 2.497 0.999 0.835 0.980 0.737 CB 1.812 153 residues pruned to eliminate duplicates Z: 108 118.198 2.483 1.005 0.817 0.972 0.748 CB 1.792 108 residues pruned to eliminate duplicates Z: 155 140.921 2.477 1.017 0.828 0.961 0.740 CB 1.782 155 residues pruned to eliminate duplicates Z: 107 118.550 2.506 1.051 0.812 0.972 0.755 CB 1.756 107 residues pruned to eliminate duplicates Z: 106 116.191 2.488 1.025 0.807 0.971 0.743 CB 1.772 106 residues pruned to eliminate duplicates Z: 154 138.802 2.460 1.037 0.815 0.961 0.712 CB 1.773 154 residues pruned to eliminate duplicates Z: 173 161.019 2.506 1.030 0.851 0.977 0.767 CB 1.830 173 residues pruned to eliminate duplicates Z: 172 158.397 2.492 1.033 0.841 0.982 0.719 CB 1.814 172 residues pruned to eliminate duplicates Z: 56 91.518 2.471 1.113 0.834 0.982 0.782 CB 1.804 56 residues pruned to eliminate duplicates Z: 107 119.318 2.491 1.069 0.808 0.962 0.745 CB 1.787 107 residues pruned to eliminate duplicates Z: 153 147.437 2.486 1.053 0.837 0.974 0.796 CB 1.800 153 residues pruned to eliminate duplicates Z: 209 174.327 2.513 0.982 0.846 0.976 0.793 CB 1.847 209 residues pruned to eliminate duplicates Z: 105 121.184 2.519 1.016 0.828 0.990 0.721 CB 1.778 105 residues pruned to eliminate duplicates Z: 186 150.020 2.460 0.940 0.809 0.978 0.778 CB 1.805 107 residues pruned to eliminate duplicates Z: 29 51.553 2.515 0.468 0.918 1.000 0.929 CB 1.862 29 residues pruned to eliminate duplicates Z: 208 176.145 2.524 0.981 0.845 0.976 0.758 CB 1.866 208 residues pruned to eliminate duplicates Z: 136 139.652 2.491 1.098 0.818 0.963 0.726 CB 1.812 136 residues pruned to eliminate duplicates Z: 222 174.481 2.496 0.952 0.831 0.982 0.787 CB 1.843 222 residues pruned to eliminate duplicates Z: 218 170.359 2.499 0.983 0.824 0.963 0.783 CB 1.830 218 residues pruned to eliminate duplicates Z: 150 145.748 2.478 1.082 0.828 0.980 0.772 CB 1.778 150 residues pruned to eliminate duplicates Z: 135 139.397 2.501 1.117 0.816 0.963 0.716 CB 1.795 135 residues pruned to eliminate duplicates Z: 159 144.610 2.440 1.082 0.819 0.975 0.759 CB 1.761 159 residues pruned to eliminate duplicates Z: 152 144.996 2.485 1.064 0.828 0.967 0.808 CB 1.792 152 residues pruned to eliminate duplicates Z: 106 124.577 2.488 1.169 0.820 0.971 0.752 CB 1.757 106 residues pruned to eliminate duplicates Z: 174 157.550 2.495 1.039 0.828 0.977 0.786 CB 1.816 174 residues pruned to eliminate duplicates Z: 221 182.656 2.503 1.029 0.841 0.982 0.795 CB 1.842 221 residues pruned to eliminate duplicates Z: 108 128.370 2.479 1.142 0.813 1.000 0.794 CB 1.780 108 residues pruned to eliminate duplicates Z: 108 127.503 2.505 1.154 0.811 0.972 0.804 CB 1.792 108 residues pruned to eliminate duplicates Z: 154 144.024 2.463 1.097 0.819 0.961 0.752 CB 1.779 154 residues pruned to eliminate duplicates Z: 110 121.277 2.442 1.179 0.809 0.963 0.789 CB 1.732 110 residues pruned to eliminate duplicates Z: 222 183.054 2.492 1.084 0.836 0.973 0.738 CB 1.824 222 residues pruned to eliminate duplicates Z: 31 69.369 2.363 1.190 0.907 1.000 0.733 CB 1.739 31 residues pruned to eliminate duplicates Z: 207 170.746 2.498 1.046 0.816 0.966 0.762 CB 1.831 207 residues pruned to eliminate duplicates Z: 155 152.872 2.467 1.121 0.829 0.994 0.786 CB 1.783 155 residues pruned to eliminate duplicates Z: 108 121.421 2.469 1.178 0.802 0.963 0.738 CB 1.741 108 residues pruned to eliminate duplicates Z: 153 149.493 2.479 1.147 0.834 0.967 0.717 CB 1.766 153 residues pruned to eliminate duplicates Z: 107 126.202 2.465 1.203 0.810 0.981 0.708 CB 1.757 107 residues pruned to eliminate duplicates Z: 108 135.713 2.498 1.234 0.815 1.000 0.766 CB 1.787 108 residues pruned to eliminate duplicates Z: 220 180.680 2.508 1.043 0.829 0.973 0.767 CB 1.844 220 residues pruned to eliminate duplicates Z: 107 122.646 2.475 1.172 0.817 0.953 0.726 CB 1.765 107 residues pruned to eliminate duplicates Z: 176 154.298 2.478 1.017 0.823 0.983 0.737 CB 1.795 176 residues pruned to eliminate duplicates Z: 153 155.277 2.489 1.134 0.850 0.980 0.724 CB 1.792 153 residues pruned to eliminate duplicates Z: 107 130.599 2.498 1.191 0.828 0.981 0.774 CB 1.778 107 residues pruned to eliminate duplicates Z: 106 131.579 2.482 1.280 0.823 0.990 0.733 CB 1.732 106 residues pruned to eliminate duplicates Z: 107 125.123 2.485 1.141 0.819 0.991 0.811 CB 1.748 107 residues pruned to eliminate duplicates Z: 107 132.450 2.500 1.250 0.820 0.981 0.698 CB 1.765 107 residues pruned to eliminate duplicates Z: 134 153.529 2.518 1.218 0.829 0.985 0.714 CB 1.821 134 residues pruned to eliminate duplicates Z: 107 130.802 2.498 1.208 0.818 0.981 0.755 CB 1.781 107 residues pruned to eliminate duplicates Z: 108 122.960 2.476 1.157 0.814 0.981 0.738 CB 1.726 108 residues pruned to eliminate duplicates Z: 220 183.838 2.512 1.043 0.842 0.982 0.744 CB 1.838 220 residues pruned to eliminate duplicates Z: 222 185.285 2.500 1.064 0.843 0.982 0.774 CB 1.832 222 residues pruned to eliminate duplicates Z: 208 177.744 2.519 1.041 0.839 0.966 0.768 CB 1.858 208 residues pruned to eliminate duplicates Z: 155 154.186 2.484 1.135 0.834 0.987 0.701 CB 1.780 155 residues pruned to eliminate duplicates Z: 26 62.355 2.513 1.139 0.743 1.000 0.680 CB 1.867 26 residues pruned to eliminate duplicates Z: 26 57.255 2.558 1.118 0.746 0.960 0.680 CB 1.768 26 residues pruned to eliminate duplicates Z: 154 145.839 2.472 1.079 0.816 0.974 0.758 CB 1.790 154 residues pruned to eliminate duplicates Z: 25 58.812 2.600 1.072 0.809 0.917 0.792 CB 1.857 25 residues pruned to eliminate duplicates Z: 169 166.345 2.501 1.123 0.850 0.988 0.708 CB 1.813 169 residues pruned to eliminate duplicates Z: 154 147.314 2.474 1.128 0.837 0.954 0.784 CB 1.774 154 residues pruned to eliminate duplicates Z: 86 105.346 2.454 1.071 0.827 0.941 0.718 CB 1.800 86 residues pruned to eliminate duplicates Z: 221 187.804 2.505 1.103 0.840 0.982 0.773 CB 1.827 221 residues pruned to eliminate duplicates Z: 108 124.341 2.476 1.175 0.806 0.981 0.757 CB 1.742 108 residues pruned to eliminate duplicates Z: 75 102.680 2.461 1.053 0.837 0.959 0.703 CB 1.842 75 residues pruned to eliminate duplicates Z: 110 126.865 2.444 1.188 0.800 1.000 0.761 CB 1.747 110 residues pruned to eliminate duplicates Z: 222 173.082 2.488 1.010 0.828 0.959 0.787 CB 1.827 222 residues pruned to eliminate duplicates Z: 26 61.493 2.556 1.251 0.759 0.920 0.640 CB 1.846 26 residues pruned to eliminate duplicates Z: 105 133.699 2.513 1.223 0.837 0.990 0.817 CB 1.773 105 residues pruned to eliminate duplicates Z: 140 138.822 2.518 0.986 0.842 0.935 0.719 CB 1.877 140 residues pruned to eliminate duplicates Z: 108 124.742 2.478 1.164 0.805 0.991 0.748 CB 1.740 108 residues pruned to eliminate duplicates Z: 108 131.313 2.472 1.214 0.807 1.000 0.804 CB 1.775 108 residues pruned to eliminate duplicates Z: 108 127.817 2.483 1.179 0.813 0.991 0.766 CB 1.756 108 residues pruned to eliminate duplicates Z: 92 125.646 2.529 1.042 0.860 0.989 0.703 CB 1.895 92 residues pruned to eliminate duplicates Z: 220 178.914 2.501 1.042 0.830 0.968 0.813 CB 1.838 220 residues pruned to eliminate duplicates Z: 17 32.467 2.218 1.215 0.555 0.938 0.562 CB 1.670 17 residues pruned to eliminate duplicates Z: 151 152.471 2.476 1.130 0.845 0.980 0.747 CB 1.790 151 residues pruned to eliminate duplicates Z: 107 120.553 2.518 0.875 0.849 0.953 0.726 CB 1.930 107 residues pruned to eliminate duplicates Z: 138 137.363 2.517 0.951 0.814 0.956 0.759 CB 1.903 138 residues pruned to eliminate duplicates Z: 118 130.578 2.488 0.912 0.848 0.983 0.752 CB 1.914 118 residues pruned to eliminate duplicates Z: 174 157.463 2.492 1.054 0.843 0.954 0.786 CB 1.825 174 residues pruned to eliminate duplicates Z: 159 146.440 2.446 1.127 0.815 0.956 0.747 CB 1.781 159 residues pruned to eliminate duplicates Z: 48 79.807 2.430 0.990 0.874 0.957 0.766 CB 1.830 48 residues pruned to eliminate duplicates Z: 152 156.479 2.498 1.131 0.846 0.987 0.775 CB 1.801 152 residues pruned to eliminate duplicates Z: 49 74.233 2.411 0.974 0.843 0.917 0.625 CB 1.830 49 residues pruned to eliminate duplicates Z: 154 150.248 2.466 1.127 0.818 0.980 0.778 CB 1.792 154 residues pruned to eliminate duplicates Z: 71 90.254 2.427 0.880 0.854 0.929 0.757 CB 1.881 71 residues pruned to eliminate duplicates Z: 154 152.718 2.469 1.135 0.839 0.980 0.817 CB 1.784 154 residues pruned to eliminate duplicates Z: 174 161.004 2.475 1.099 0.831 0.983 0.717 CB 1.802 174 residues pruned to eliminate duplicates Z: 152 143.497 2.450 1.162 0.795 0.960 0.709 CB 1.773 152 residues pruned to eliminate duplicates Z: 217 180.775 2.501 1.019 0.841 0.986 0.787 CB 1.843 217 residues pruned to eliminate duplicates Z: 93 112.150 2.519 0.853 0.860 0.978 0.761 CB 1.882 66 residues pruned to eliminate duplicates Z: 29 63.701 2.436 1.010 0.851 0.893 0.679 CA 2.038 29 residues pruned to eliminate duplicates Z: 171 159.488 2.478 1.084 0.834 0.982 0.729 CB 1.807 171 residues pruned to eliminate duplicates Z: 221 178.947 2.501 1.032 0.828 0.973 0.786 CB 1.837 221 residues pruned to eliminate duplicates Z: 134 150.591 2.505 1.167 0.826 0.992 0.752 CB 1.828 134 residues pruned to eliminate duplicates Z: 219 178.857 2.498 1.018 0.840 0.972 0.780 CB 1.844 219 residues pruned to eliminate duplicates Z: 152 156.558 2.493 1.106 0.843 1.000 0.788 CB 1.807 71 residues pruned to eliminate duplicates Z: 31 42.489 2.228 0.662 0.922 0.967 0.867 CB 1.523 31 residues pruned to eliminate duplicates Z: 220 179.168 2.490 1.050 0.836 0.982 0.763 CB 1.807 220 residues pruned to eliminate duplicates Z: 175 162.792 2.491 1.069 0.841 0.977 0.787 CB 1.828 175 residues pruned to eliminate duplicates Z: 133 141.536 2.449 1.212 0.785 0.992 0.712 CB 1.784 133 residues pruned to eliminate duplicates Z: 174 151.714 2.452 1.060 0.823 0.965 0.763 CB 1.788 174 residues pruned to eliminate duplicates Z: 117 126.796 2.498 0.933 0.843 0.948 0.767 CB 1.915 117 residues pruned to eliminate duplicates Z: 174 162.584 2.484 1.069 0.838 0.988 0.809 CB 1.818 174 residues pruned to eliminate duplicates Z: 58 66.525 2.308 0.782 0.772 0.982 0.719 CB 1.714 58 residues pruned to eliminate duplicates Z: 51 79.057 2.393 0.920 0.836 0.980 0.740 CB 1.859 51 residues pruned to eliminate duplicates Z: 116 115.703 2.477 0.911 0.814 0.922 0.757 CB 1.883 116 residues pruned to eliminate duplicates Z: 218 176.545 2.484 1.042 0.821 0.977 0.788 CB 1.831 218 residues pruned to eliminate duplicates Z: 153 145.898 2.452 1.108 0.824 0.974 0.770 CB 1.776 153 residues pruned to eliminate duplicates Z: 161 144.345 2.435 1.100 0.796 0.975 0.750 CB 1.766 161 residues pruned to eliminate duplicates Z: 53 70.852 2.359 0.887 0.812 0.923 0.750 CB 1.823 53 residues pruned to eliminate duplicates Z: 155 151.190 2.462 1.087 0.831 1.000 0.753 CB 1.782 155 residues pruned to eliminate duplicates Z: 74 96.296 2.426 1.039 0.825 0.959 0.699 CB 1.793 74 residues pruned to eliminate duplicates Z: 221 181.941 2.493 1.047 0.824 0.982 0.786 CB 1.849 221 residues pruned to eliminate duplicates Z: 154 153.157 2.474 1.133 0.832 0.967 0.771 CB 1.821 154 residues pruned to eliminate duplicates Z: 158 149.826 2.460 1.081 0.820 0.987 0.726 CB 1.792 158 residues pruned to eliminate duplicates Z: 69 87.692 2.423 0.951 0.811 0.941 0.691 CB 1.823 69 residues pruned to eliminate duplicates Z: 50 82.843 2.437 1.007 0.841 0.980 0.796 CB 1.842 50 residues pruned to eliminate duplicates Z: 137 137.771 2.503 0.943 0.837 0.971 0.721 CB 1.871 137 residues pruned to eliminate duplicates Z: 217 181.345 2.493 1.062 0.824 0.991 0.769 CB 1.829 217 residues pruned to eliminate duplicates Z: 139 149.522 2.533 0.998 0.848 0.971 0.812 CB 1.920 139 residues pruned to eliminate duplicates Z: 127 145.849 2.546 0.999 0.854 0.976 0.794 CB 1.931 127 residues pruned to eliminate duplicates Z: 67 91.872 2.462 0.886 0.832 0.955 0.788 CB 1.915 67 residues pruned to eliminate duplicates Z: 94 115.804 2.511 0.894 0.847 1.000 0.785 CB 1.875 94 residues pruned to eliminate duplicates Z: 220 177.601 2.494 1.017 0.832 0.977 0.776 CB 1.833 220 residues pruned to eliminate duplicates Z: 35 55.818 2.522 0.519 0.852 1.000 0.765 CB 1.848 35 residues pruned to eliminate duplicates Z: 118 128.063 2.502 0.919 0.840 0.966 0.786 CB 1.906 118 residues pruned to eliminate duplicates Z: 115 124.976 2.493 0.867 0.848 0.982 0.816 CB 1.899 115 residues pruned to eliminate duplicates Z: 221 179.708 2.504 1.026 0.834 0.973 0.809 CB 1.840 221 residues pruned to eliminate duplicates Z: 220 188.219 2.514 1.065 0.844 0.986 0.826 CB 1.849 220 residues pruned to eliminate duplicates Z: 209 182.514 2.516 1.060 0.835 0.986 0.774 CB 1.857 209 residues pruned to eliminate duplicates Z: 139 143.690 2.522 0.951 0.832 0.978 0.739 CB 1.908 139 residues pruned to eliminate duplicates Z: 92 119.812 2.508 0.956 0.852 1.000 0.758 CB 1.893 92 residues pruned to eliminate duplicates Z: 171 161.136 2.492 1.083 0.836 0.994 0.759 CB 1.792 171 residues pruned to eliminate duplicates Z: 92 127.115 2.526 1.029 0.858 1.000 0.769 CB 1.915 92 residues pruned to eliminate duplicates Z: 174 162.211 2.489 1.044 0.842 0.994 0.821 CB 1.817 174 residues pruned to eliminate duplicates Z: 116 131.162 2.517 0.918 0.847 0.974 0.835 CB 1.932 116 residues pruned to eliminate duplicates Z: 45 81.197 2.584 0.883 0.812 0.955 0.795 CB 2.008 45 residues pruned to eliminate duplicates Z: 56 89.302 2.555 0.878 0.828 0.964 0.836 CB 1.961 56 residues pruned to eliminate duplicates Z: 127 139.838 2.539 0.989 0.819 0.976 0.730 CB 1.915 127 residues pruned to eliminate duplicates Z: 117 124.891 2.484 0.967 0.812 0.948 0.750 CB 1.908 117 residues pruned to eliminate duplicates Z: 139 144.705 2.538 0.910 0.842 0.986 0.783 CB 1.921 139 residues pruned to eliminate duplicates Z: 58 81.356 2.480 0.958 0.771 0.930 0.737 CB 1.878 58 residues pruned to eliminate duplicates Z: 59 79.807 2.479 0.922 0.745 0.914 0.793 CB 1.933 49 residues pruned to eliminate duplicates Z: 65 82.473 2.376 0.781 0.882 0.984 0.781 CB 1.790 65 residues pruned to eliminate duplicates Z: 58 85.925 2.506 0.942 0.772 0.947 0.860 CB 1.941 58 residues pruned to eliminate duplicates Z: 52 88.372 2.512 1.027 0.803 0.961 0.804 CB 1.942 52 residues pruned to eliminate duplicates Z: 206 180.441 2.510 1.086 0.843 0.980 0.795 CB 1.827 206 residues pruned to eliminate duplicates Z: 107 125.480 2.528 0.960 0.840 0.953 0.802 CB 1.927 73 residues pruned to eliminate duplicates Z: 63 85.161 2.418 0.803 0.894 1.000 0.710 CB 1.779 63 residues pruned to eliminate duplicates Z: 58 77.865 2.422 0.959 0.767 0.947 0.754 CB 1.812 58 residues pruned to eliminate duplicates Z: 44 71.082 2.484 0.913 0.782 0.953 0.791 CB 1.866 44 residues pruned to eliminate duplicates Z: 117 128.277 2.512 0.938 0.839 0.957 0.784 CB 1.909 117 residues pruned to eliminate duplicates Z: 216 183.803 2.499 1.097 0.826 0.981 0.744 CB 1.838 216 residues pruned to eliminate duplicates Z: 30 89.199 2.691 1.210 0.850 1.000 0.759 CB 2.064 30 residues pruned to eliminate duplicates Z: 105 129.881 2.515 1.022 0.824 0.971 0.750 CB 1.948 105 residues pruned to eliminate duplicates Z: 142 136.158 2.483 0.937 0.819 0.972 0.738 CB 1.860 142 residues pruned to eliminate duplicates Z: 59 87.926 2.512 0.962 0.759 0.948 0.759 CB 1.961 45 residues pruned to eliminate duplicates Z: 23 69.259 2.456 1.274 0.864 1.000 0.955 CA 1.939 23 residues pruned to eliminate duplicates Z: 220 184.711 2.508 1.020 0.836 0.991 0.790 CB 1.861 220 residues pruned to eliminate duplicates Z: 208 185.679 2.518 1.056 0.847 0.995 0.826 CB 1.859 208 residues pruned to eliminate duplicates Z: 141 144.119 2.515 0.985 0.830 0.964 0.786 CB 1.902 141 residues pruned to eliminate duplicates Z: 43 86.281 2.557 1.137 0.803 0.976 0.810 CB 1.915 43 residues pruned to eliminate duplicates Z: 219 175.865 2.487 1.077 0.804 0.968 0.775 CB 1.826 219 residues pruned to eliminate duplicates Z: 222 179.298 2.486 1.038 0.816 0.982 0.774 CB 1.841 222 residues pruned to eliminate duplicates Z: 44 80.878 2.495 1.133 0.790 0.953 0.767 CB 1.885 44 residues pruned to eliminate duplicates Z: 59 82.321 2.500 0.950 0.760 0.914 0.828 CB 1.926 59 residues pruned to eliminate duplicates Z: 54 66.575 2.407 0.927 0.698 0.925 0.755 CB 1.780 54 residues pruned to eliminate duplicates Z: 221 183.123 2.508 1.024 0.833 0.986 0.818 CB 1.850 221 residues pruned to eliminate duplicates Z: 210 179.880 2.512 1.062 0.824 0.986 0.789 CB 1.841 210 residues pruned to eliminate duplicates Z: 120 126.781 2.477 0.912 0.833 0.958 0.765 CB 1.921 120 residues pruned to eliminate duplicates Z: 222 180.876 2.485 1.054 0.830 0.982 0.792 CB 1.826 222 residues pruned to eliminate duplicates Z: 221 185.213 2.497 1.072 0.835 0.982 0.782 CB 1.842 221 residues pruned to eliminate duplicates Z: 45 78.309 2.501 1.045 0.781 0.955 0.773 CB 1.888 45 residues pruned to eliminate duplicates Z: 218 180.260 2.485 1.080 0.824 0.982 0.783 CB 1.821 218 residues pruned to eliminate duplicates Z: 154 142.694 2.486 0.964 0.822 0.961 0.791 CB 1.860 154 residues pruned to eliminate duplicates Z: 127 146.737 2.531 1.040 0.843 0.984 0.794 CB 1.916 127 residues pruned to eliminate duplicates Z: 53 75.569 2.468 0.948 0.762 0.942 0.808 CB 1.833 53 residues pruned to eliminate duplicates Z: 222 182.767 2.482 1.068 0.820 0.986 0.751 CB 1.840 222 residues pruned to eliminate duplicates Z: 14 28.694 2.163 0.937 0.698 0.923 0.692 CB 1.718 16 residues pruned to eliminate duplicates Z: 13 30.827 2.135 1.060 0.835 0.917 0.750 CB 1.653 13 residues pruned to eliminate duplicates Z: 16 23.827 1.971 0.754 0.665 0.933 0.733 CA 1.637 16 residues pruned to eliminate duplicates Z: 52 75.504 2.421 1.051 0.758 0.922 0.745 CB 1.837 52 residues pruned to eliminate duplicates Z: 14 24.648 2.025 0.983 0.689 0.846 0.692 CB 1.692 14 residues pruned to eliminate duplicates Z: 13 28.389 2.187 1.156 0.741 0.917 0.750 CB 1.528 13 residues pruned to eliminate duplicates Z: 15 23.750 2.027 0.919 0.714 0.929 0.714 CB 1.447 15 residues pruned to eliminate duplicates Z: 50 83.851 2.458 1.048 0.785 0.959 0.755 CB 1.931 50 residues pruned to eliminate duplicates Z: 52 74.098 2.413 1.090 0.727 0.941 0.647 CB 1.782 52 residues pruned to eliminate duplicates Z: 219 179.156 2.477 1.070 0.818 0.986 0.775 CB 1.821 219 residues pruned to eliminate duplicates Z: 16 28.757 2.076 1.129 0.686 0.867 0.733 CB 1.635 16 residues pruned to eliminate duplicates Z: 44 90.528 2.510 1.315 0.825 0.953 0.767 CB 1.881 42 residues pruned to eliminate duplicates 219 residues left after pruning, divided into chains as follows: A: 186 B: 33 CC for partial structure against native data = 43.23 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.668, Connect. = 0.805 for dens.mod. cycle 1 = 0.300, Contrast = 0.756, Connect. = 0.827 for dens.mod. cycle 2 = 0.300, Contrast = 0.922, Connect. = 0.851 for dens.mod. cycle 3 = 0.300, Contrast = 0.939, Connect. = 0.854 for dens.mod. cycle 4 = 0.300, Contrast = 0.956, Connect. = 0.855 for dens.mod. cycle 5 = 0.300, Contrast = 0.960, Connect. = 0.856 for dens.mod. cycle 6 = 0.300, Contrast = 0.966, Connect. = 0.857 for dens.mod. cycle 7 = 0.300, Contrast = 0.966, Connect. = 0.858 for dens.mod. cycle 8 = 0.300, Contrast = 0.969, Connect. = 0.858 for dens.mod. cycle 9 = 0.300, Contrast = 0.969, Connect. = 0.859 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1572 peaks > 0.5 sigma used to seed fragment search Space for about 385 unique residues taking solvent into account 291 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 40.136 2.431 0.880 0.840 1.000 0.727 CA 1.977 B: 27 73.233 2.693 1.005 0.861 0.923 0.692 CB 2.117 10 residues pruned to eliminate duplicates C: 35 60.047 2.536 0.617 0.848 0.971 0.735 CB 1.919 D: 9 25.546 2.515 0.669 0.855 1.000 0.875 CB 1.588 9 residues pruned to eliminate duplicates E: 34 64.065 2.416 0.861 0.957 0.970 0.909 CB 1.756 F: 28 74.114 2.599 1.235 0.834 0.889 0.630 CA 2.070 27 residues pruned to eliminate duplicates G: 64 81.377 2.404 0.700 0.893 1.000 0.841 CB 1.801 35 residues pruned to eliminate duplicates H: 63 74.856 2.396 0.649 0.887 1.000 0.742 CB 1.735 64 residues pruned to eliminate duplicates I: 22 66.354 2.446 1.135 0.943 1.000 0.952 CA 1.922 J: 19 45.179 2.538 0.994 0.823 0.833 0.778 CA 1.908 19 residues pruned to eliminate duplicates K: 28 59.569 2.360 0.947 0.945 1.000 0.852 CB 1.727 L: 63 76.993 2.426 0.662 0.880 0.984 0.677 CB 1.786 63 residues pruned to eliminate duplicates M: 31 62.122 2.390 1.015 0.893 0.967 0.867 CB 1.748 28 residues pruned to eliminate duplicates N: 11 33.613 2.291 0.856 0.869 1.000 0.700 CA 1.826 11 residues pruned to eliminate duplicates O: 22 63.436 2.449 1.027 0.930 1.000 0.762 CA 1.950 22 residues pruned to eliminate duplicates P: 26 60.158 2.283 1.025 0.905 1.000 0.840 CB 1.852 26 residues pruned to eliminate duplicates Q: 63 81.787 2.411 0.858 0.885 0.984 0.726 CB 1.702 63 residues pruned to eliminate duplicates R: 18 60.461 2.645 1.234 0.884 0.882 0.706 CA 2.031 19 residues pruned to eliminate duplicates S: 33 78.212 2.488 1.043 0.954 1.000 0.938 CB 1.871 34 residues pruned to eliminate duplicates T: 19 42.507 2.405 1.071 0.819 0.833 0.556 CB 1.829 19 residues pruned to eliminate duplicates U: 19 45.856 2.524 0.888 0.834 0.889 0.778 CA 1.912 19 residues pruned to eliminate duplicates V: 21 65.624 2.542 1.117 0.942 0.950 0.900 CA 1.991 22 residues pruned to eliminate duplicates W: 9 28.968 2.431 0.782 0.869 1.000 0.750 CB 1.727 9 residues pruned to eliminate duplicates X: 23 62.319 2.390 1.215 0.936 0.955 0.909 CA 1.831 23 residues pruned to eliminate duplicates Y: 28 55.069 2.383 0.979 0.911 0.926 0.889 CB 1.719 28 residues pruned to eliminate duplicates Z: 22 65.329 2.433 1.227 0.914 1.000 0.810 CB 1.860 22 residues pruned to eliminate duplicates Z: 63 80.757 2.424 0.747 0.888 0.984 0.806 CB 1.774 63 residues pruned to eliminate duplicates Z: 22 67.194 2.460 1.263 0.953 0.952 0.762 CA 1.904 22 residues pruned to eliminate duplicates Z: 22 47.976 2.474 0.674 0.897 1.000 0.857 CB 1.809 Z: 31 63.504 2.363 0.959 0.895 0.933 0.900 CB 1.924 31 residues pruned to eliminate duplicates Z: 28 67.621 2.613 1.064 0.841 0.852 0.630 CB 2.113 28 residues pruned to eliminate duplicates Z: 34 76.609 2.450 1.208 0.934 0.970 0.848 CB 1.773 34 residues pruned to eliminate duplicates Z: 33 76.485 2.504 1.058 0.957 0.969 0.906 CB 1.859 33 residues pruned to eliminate duplicates Z: 15 46.435 2.636 0.651 0.922 1.000 1.000 CB 2.006 15 residues pruned to eliminate duplicates Z: 33 76.835 2.502 1.052 0.951 1.000 0.875 CB 1.823 33 residues pruned to eliminate duplicates Z: 27 64.574 2.656 0.888 0.841 0.885 0.654 CB 2.128 27 residues pruned to eliminate duplicates Z: 26 64.272 2.519 0.942 0.953 1.000 0.920 CB 1.809 27 residues pruned to eliminate duplicates Z: 20 54.223 2.463 1.153 0.816 0.947 0.684 CB 1.882 20 residues pruned to eliminate duplicates Z: 30 60.544 2.439 0.832 0.929 1.000 0.931 CB 1.761 31 residues pruned to eliminate duplicates Z: 12 37.905 2.455 0.696 0.894 0.909 0.727 CB 2.167 13 residues pruned to eliminate duplicates Z: 23 62.865 2.390 1.187 0.928 0.955 0.909 CA 1.881 23 residues pruned to eliminate duplicates Z: 36 55.867 2.463 0.461 0.886 1.000 0.800 CB 1.893 36 residues pruned to eliminate duplicates Z: 9 18.996 2.466 0.659 0.786 1.000 0.625 CB 1.276 9 residues pruned to eliminate duplicates Z: 22 52.742 2.473 0.896 0.903 1.000 0.905 CB 1.750 22 residues pruned to eliminate duplicates Z: 26 57.416 2.491 0.765 0.944 1.000 0.960 CB 1.809 26 residues pruned to eliminate duplicates Z: 33 81.883 2.483 1.169 0.959 1.000 0.938 CB 1.842 33 residues pruned to eliminate duplicates Z: 27 64.453 2.460 1.206 0.881 0.885 0.769 CB 1.907 27 residues pruned to eliminate duplicates Z: 22 61.544 2.421 1.037 0.937 1.000 0.905 CA 1.895 22 residues pruned to eliminate duplicates Z: 34 73.783 2.446 1.015 0.957 1.000 0.939 CB 1.788 34 residues pruned to eliminate duplicates Z: 33 81.854 2.520 1.126 0.957 1.000 0.844 CB 1.853 33 residues pruned to eliminate duplicates Z: 64 78.465 2.409 0.706 0.883 0.968 0.683 CB 1.797 64 residues pruned to eliminate duplicates Z: 22 66.699 2.462 1.143 0.932 0.952 0.857 CA 2.023 22 residues pruned to eliminate duplicates Z: 33 75.339 2.466 1.100 0.944 1.000 0.844 CB 1.781 33 residues pruned to eliminate duplicates Z: 62 81.648 2.437 0.683 0.897 1.000 0.803 CB 1.825 62 residues pruned to eliminate duplicates Z: 33 78.387 2.492 1.105 0.952 1.000 0.938 CB 1.820 33 residues pruned to eliminate duplicates Z: 18 57.060 2.575 1.133 0.840 0.941 0.765 CB 1.997 18 residues pruned to eliminate duplicates Z: 27 79.917 2.585 1.125 0.888 0.962 0.615 CA 2.138 27 residues pruned to eliminate duplicates Z: 33 84.620 2.514 1.261 0.963 1.000 0.875 CB 1.799 33 residues pruned to eliminate duplicates Z: 21 40.608 2.504 0.412 0.891 1.000 0.900 CB 1.847 21 residues pruned to eliminate duplicates Z: 33 82.114 2.509 1.161 0.956 1.000 0.938 CB 1.839 33 residues pruned to eliminate duplicates Z: 20 55.426 2.577 1.042 0.835 0.895 0.684 CA 2.023 20 residues pruned to eliminate duplicates Z: 17 39.388 2.257 0.743 0.899 0.938 0.812 CA 1.910 17 residues pruned to eliminate duplicates Z: 27 52.423 2.414 0.863 0.916 0.962 0.923 CB 1.679 27 residues pruned to eliminate duplicates Z: 35 83.772 2.403 1.313 0.936 1.000 0.882 CB 1.800 34 residues pruned to eliminate duplicates Z: 12 18.194 2.116 0.570 0.911 0.818 0.727 CB 1.430 Z: 36 62.495 2.466 0.658 0.877 1.000 0.714 CB 1.875 36 residues pruned to eliminate duplicates Z: 26 62.653 2.511 0.908 0.955 1.000 0.920 CB 1.798 26 residues pruned to eliminate duplicates Z: 33 81.375 2.514 1.201 0.957 1.000 0.938 CB 1.784 33 residues pruned to eliminate duplicates Z: 47 68.495 2.382 0.743 0.893 1.000 0.804 CB 1.746 47 residues pruned to eliminate duplicates Z: 11 25.869 2.218 0.668 0.900 1.000 0.700 CB 1.580 12 residues pruned to eliminate duplicates Z: 53 81.022 2.513 0.907 0.790 0.962 0.865 CB 1.889 52 residues pruned to eliminate duplicates Z: 22 57.355 2.473 1.025 0.921 1.000 0.857 CB 1.759 22 residues pruned to eliminate duplicates Z: 20 61.360 2.572 1.147 0.825 0.947 0.684 CA 2.031 20 residues pruned to eliminate duplicates Z: 22 44.467 2.459 0.632 0.899 1.000 0.857 CB 1.729 22 residues pruned to eliminate duplicates Z: 15 46.512 2.525 0.755 0.881 1.000 0.857 CB 2.031 15 residues pruned to eliminate duplicates Z: 22 61.337 2.485 1.172 0.930 0.905 0.762 CA 1.916 22 residues pruned to eliminate duplicates Z: 12 24.835 2.127 0.693 0.876 1.000 0.636 CB 1.511 12 residues pruned to eliminate duplicates Z: 28 48.251 2.332 0.701 0.896 0.963 0.889 CB 1.741 28 residues pruned to eliminate duplicates Z: 13 24.808 1.968 0.717 0.876 1.000 0.667 CA 1.540 12 residues pruned to eliminate duplicates Z: 52 71.061 2.401 0.671 0.912 0.980 0.863 CB 1.792 52 residues pruned to eliminate duplicates Z: 22 56.958 2.462 0.984 0.920 0.952 0.810 CB 1.881 22 residues pruned to eliminate duplicates Z: 22 52.313 2.461 0.940 0.880 1.000 0.810 CB 1.733 22 residues pruned to eliminate duplicates Z: 22 49.992 2.422 0.893 0.888 1.000 0.762 CB 1.714 22 residues pruned to eliminate duplicates Z: 27 44.278 2.435 0.338 0.954 1.000 1.000 CB 1.834 27 residues pruned to eliminate duplicates Z: 32 90.529 2.557 1.324 0.959 1.000 0.968 CB 1.874 34 residues pruned to eliminate duplicates Z: 34 45.621 2.237 0.581 0.890 0.970 0.848 CB 1.666 34 residues pruned to eliminate duplicates Z: 34 45.128 2.427 0.287 0.864 1.000 0.818 CB 1.843 34 residues pruned to eliminate duplicates Z: 23 55.011 2.395 0.994 0.888 0.955 0.864 CA 1.854 23 residues pruned to eliminate duplicates Z: 23 51.468 2.389 0.832 0.891 1.000 0.909 CB 1.802 23 residues pruned to eliminate duplicates Z: 17 41.546 2.602 0.463 0.873 1.000 0.812 CB 1.987 17 residues pruned to eliminate duplicates Z: 33 80.714 2.504 1.106 0.956 1.000 0.844 CB 1.858 33 residues pruned to eliminate duplicates Z: 21 62.420 2.528 1.003 0.949 1.000 0.950 CA 1.903 21 residues pruned to eliminate duplicates Z: 33 68.246 2.479 0.909 0.946 1.000 0.844 CB 1.763 33 residues pruned to eliminate duplicates Z: 23 69.763 2.395 1.317 0.942 1.000 0.864 CA 1.859 23 residues pruned to eliminate duplicates Z: 17 39.850 2.531 0.637 0.804 0.938 0.812 CB 1.967 17 residues pruned to eliminate duplicates Z: 21 32.353 2.378 0.315 0.897 0.900 0.800 CB 1.840 21 residues pruned to eliminate duplicates Z: 33 76.262 2.467 1.076 0.949 1.000 0.938 CB 1.817 33 residues pruned to eliminate duplicates Z: 28 50.059 2.277 0.792 0.941 1.000 0.889 CB 1.637 28 residues pruned to eliminate duplicates Z: 28 44.111 2.381 0.533 0.910 0.963 0.963 CB 1.714 28 residues pruned to eliminate duplicates Z: 22 49.353 2.442 0.844 0.903 1.000 0.762 CB 1.705 22 residues pruned to eliminate duplicates Z: 28 58.339 2.374 1.123 0.913 0.926 0.852 CB 1.703 28 residues pruned to eliminate duplicates Z: 73 100.112 2.491 0.979 0.848 0.958 0.722 CB 1.854 72 residues pruned to eliminate duplicates Z: 21 43.192 2.253 0.797 0.814 1.000 0.550 CB 1.815 21 residues pruned to eliminate duplicates Z: 28 50.699 2.276 0.804 0.944 1.000 0.926 CB 1.646 28 residues pruned to eliminate duplicates Z: 45 58.421 2.331 0.717 0.885 0.955 0.750 CB 1.665 45 residues pruned to eliminate duplicates Z: 65 79.295 2.359 0.742 0.910 0.984 0.750 CB 1.738 65 residues pruned to eliminate duplicates Z: 10 42.247 2.699 0.961 0.868 0.889 0.667 CB 2.189 10 residues pruned to eliminate duplicates Z: 30 48.313 2.250 0.721 0.931 1.000 0.828 CB 1.619 30 residues pruned to eliminate duplicates Z: 52 72.683 2.391 0.724 0.915 0.980 0.804 CB 1.780 52 residues pruned to eliminate duplicates Z: 48 70.193 2.380 0.732 0.894 1.000 0.809 CB 1.780 48 residues pruned to eliminate duplicates Z: 22 56.279 2.409 1.073 0.930 0.905 0.810 CB 1.901 22 residues pruned to eliminate duplicates Z: 34 73.858 2.421 1.117 0.931 0.970 0.909 CB 1.807 34 residues pruned to eliminate duplicates Z: 21 64.658 2.529 1.013 0.947 1.000 0.950 CA 1.962 21 residues pruned to eliminate duplicates Z: 22 52.510 2.469 0.958 0.889 0.952 0.810 CB 1.792 22 residues pruned to eliminate duplicates Z: 23 47.365 2.384 0.707 0.896 1.000 0.955 CB 1.778 23 residues pruned to eliminate duplicates Z: 29 47.507 2.424 0.499 0.917 1.000 0.821 CB 1.744 29 residues pruned to eliminate duplicates Z: 21 76.972 2.580 1.247 0.952 1.000 0.850 CB 2.045 21 residues pruned to eliminate duplicates Z: 28 65.354 2.466 1.055 0.847 0.889 0.667 CA 2.072 28 residues pruned to eliminate duplicates Z: 34 82.384 2.418 1.223 0.952 1.000 0.848 CB 1.838 34 residues pruned to eliminate duplicates Z: 30 52.072 2.229 0.889 0.940 1.000 0.793 CB 1.595 30 residues pruned to eliminate duplicates Z: 34 67.275 2.391 1.010 0.953 1.000 0.848 CB 1.677 33 residues pruned to eliminate duplicates Z: 34 42.758 2.172 0.665 0.894 0.909 0.758 CB 1.624 34 residues pruned to eliminate duplicates Z: 18 49.410 2.558 0.685 0.918 0.941 0.824 CA 2.083 18 residues pruned to eliminate duplicates Z: 32 84.881 2.484 1.224 0.959 1.000 0.839 CB 1.890 32 residues pruned to eliminate duplicates Z: 32 86.861 2.556 1.323 0.959 1.000 0.935 CB 1.800 33 residues pruned to eliminate duplicates Z: 22 44.225 2.419 0.661 0.894 1.000 0.762 CB 1.723 22 residues pruned to eliminate duplicates Z: 24 37.899 2.409 0.513 0.806 0.913 0.739 CB 1.818 24 residues pruned to eliminate duplicates Z: 17 44.309 2.448 0.748 0.853 1.000 0.688 CB 1.913 17 residues pruned to eliminate duplicates Z: 26 76.456 2.485 1.421 0.956 1.000 0.720 CB 1.745 29 residues pruned to eliminate duplicates Z: 34 74.906 2.573 0.905 0.869 1.000 0.697 CB 1.943 34 residues pruned to eliminate duplicates Z: 22 49.315 2.470 0.781 0.905 1.000 0.810 CB 1.741 22 residues pruned to eliminate duplicates Z: 34 45.722 2.264 0.661 0.866 0.939 0.788 CB 1.649 34 residues pruned to eliminate duplicates Z: 28 59.782 2.348 1.118 0.924 0.963 0.704 CB 1.688 28 residues pruned to eliminate duplicates Z: 27 46.651 2.436 0.410 0.941 1.000 1.000 CB 1.849 26 residues pruned to eliminate duplicates Z: 30 56.706 2.399 0.711 0.911 1.000 0.828 CB 1.819 30 residues pruned to eliminate duplicates Z: 16 23.635 1.987 1.065 0.599 0.933 0.733 CB 1.450 16 residues pruned to eliminate duplicates Z: 48 67.855 2.343 0.761 0.904 0.957 0.787 CB 1.785 48 residues pruned to eliminate duplicates Z: 30 76.171 2.445 1.169 0.926 1.000 0.897 CB 1.871 27 residues pruned to eliminate duplicates Z: 35 56.389 2.547 0.457 0.879 1.000 0.824 CB 1.889 35 residues pruned to eliminate duplicates Z: 23 52.354 2.351 1.068 0.925 0.909 0.818 CA 1.772 23 residues pruned to eliminate duplicates Z: 10 26.129 2.317 0.436 0.904 1.000 0.889 CB 1.865 10 residues pruned to eliminate duplicates Z: 35 43.130 2.127 0.737 0.920 0.941 0.735 CB 1.498 35 residues pruned to eliminate duplicates Z: 13 23.396 2.033 0.529 0.912 1.000 0.833 CB 1.539 12 residues pruned to eliminate duplicates Z: 12 39.891 2.470 1.188 0.918 1.000 0.818 CB 1.569 12 residues pruned to eliminate duplicates Z: 64 79.288 2.394 0.759 0.889 0.984 0.794 CB 1.736 64 residues pruned to eliminate duplicates Z: 9 24.313 2.345 1.158 0.864 0.750 0.375 CB 1.661 9 residues pruned to eliminate duplicates Z: 29 51.037 2.265 0.863 0.942 0.964 0.857 CB 1.644 29 residues pruned to eliminate duplicates Z: 35 81.793 2.395 1.350 0.935 1.000 0.706 CB 1.737 34 residues pruned to eliminate duplicates Z: 10 26.344 2.304 0.550 0.879 1.000 0.889 CA 1.783 10 residues pruned to eliminate duplicates Z: 22 44.413 2.421 0.682 0.879 1.000 0.810 CB 1.726 22 residues pruned to eliminate duplicates Z: 36 61.623 2.426 0.683 0.859 1.000 0.686 CB 1.878 36 residues pruned to eliminate duplicates Z: 34 54.771 2.422 0.696 0.871 0.909 0.636 CB 1.862 34 residues pruned to eliminate duplicates Z: 23 43.727 2.368 0.608 0.897 1.000 0.818 CB 1.753 23 residues pruned to eliminate duplicates Z: 22 44.780 2.393 0.802 0.853 1.000 0.762 CB 1.675 22 residues pruned to eliminate duplicates Z: 28 58.204 2.329 1.047 0.929 0.963 0.815 CB 1.707 28 residues pruned to eliminate duplicates Z: 11 18.381 2.232 0.501 0.842 0.900 0.800 CB 1.436 11 residues pruned to eliminate duplicates Z: 29 73.514 2.497 1.186 0.914 1.000 0.679 CB 1.801 30 residues pruned to eliminate duplicates Z: 12 26.504 2.140 0.710 0.919 0.909 0.909 CB 1.693 12 residues pruned to eliminate duplicates Z: 85 100.378 2.491 0.863 0.806 0.952 0.690 CB 1.898 85 residues pruned to eliminate duplicates Z: 13 27.653 1.971 0.896 0.884 1.000 0.750 CA 1.544 13 residues pruned to eliminate duplicates Z: 11 26.846 2.265 1.078 0.827 0.800 0.600 N 1.699 11 residues pruned to eliminate duplicates Z: 30 62.612 2.416 1.055 0.914 1.000 0.862 CB 1.656 30 residues pruned to eliminate duplicates Z: 27 57.953 2.431 0.805 0.943 0.962 0.808 CB 1.866 27 residues pruned to eliminate duplicates Z: 13 40.981 2.480 1.011 0.912 1.000 0.833 CB 1.679 13 residues pruned to eliminate duplicates Z: 30 44.571 2.231 0.690 0.903 0.966 0.793 CB 1.621 30 residues pruned to eliminate duplicates Z: 22 45.714 2.345 0.806 0.878 1.000 0.762 CB 1.709 22 residues pruned to eliminate duplicates Z: 10 33.043 2.479 0.703 0.920 1.000 0.889 CB 1.838 10 residues pruned to eliminate duplicates Z: 57 71.924 2.337 0.721 0.917 0.982 0.768 CB 1.717 57 residues pruned to eliminate duplicates Z: 20 69.558 2.595 1.166 0.958 1.000 0.895 CB 1.947 20 residues pruned to eliminate duplicates Z: 34 45.121 2.179 0.708 0.881 0.939 0.727 CB 1.627 34 residues pruned to eliminate duplicates Z: 105 114.744 2.515 0.949 0.817 0.990 0.769 CB 1.760 95 residues pruned to eliminate duplicates Z: 65 75.921 2.350 0.682 0.895 0.984 0.719 CB 1.749 65 residues pruned to eliminate duplicates Z: 32 50.112 2.227 0.741 0.901 1.000 0.742 CB 1.657 32 residues pruned to eliminate duplicates Z: 13 33.173 2.393 1.053 0.843 0.917 0.750 CB 1.583 13 residues pruned to eliminate duplicates Z: 34 84.649 2.402 1.478 0.940 0.970 0.758 CB 1.773 34 residues pruned to eliminate duplicates Z: 20 36.419 2.200 0.781 0.930 1.000 0.842 CB 1.492 20 residues pruned to eliminate duplicates Z: 13 17.739 1.906 0.473 0.888 0.917 0.667 CB 1.433 13 residues pruned to eliminate duplicates Z: 32 82.396 2.538 1.108 0.959 1.000 0.968 CB 1.895 32 residues pruned to eliminate duplicates Z: 133 137.826 2.479 1.165 0.795 0.970 0.727 CB 1.780 133 residues pruned to eliminate duplicates Z: 37 48.427 2.438 0.501 0.842 0.917 0.639 CB 1.794 37 residues pruned to eliminate duplicates Z: 33 88.067 2.500 1.370 0.964 0.969 0.906 CB 1.853 33 residues pruned to eliminate duplicates Z: 8 7.716 2.039 0.583 0.366 0.857 0.714 CB 1.217 8 residues pruned to eliminate duplicates Z: 9 4.707 1.532 0.502 0.507 0.750 0.375 CB 0.957 8 residues pruned to eliminate duplicates Z: 27 72.081 2.453 1.165 0.945 1.000 0.962 CB 1.843 27 residues pruned to eliminate duplicates Z: 35 56.958 2.196 0.880 0.905 1.000 0.765 CB 1.684 35 residues pruned to eliminate duplicates Z: 11 26.436 2.199 0.679 0.935 1.000 0.800 CB 1.577 11 residues pruned to eliminate duplicates Z: 30 48.943 2.421 0.482 0.899 0.966 0.793 CB 1.875 30 residues pruned to eliminate duplicates Z: 78 84.936 2.437 0.887 0.789 0.974 0.766 CB 1.677 78 residues pruned to eliminate duplicates Z: 63 83.166 2.429 0.750 0.898 1.000 0.839 CB 1.778 63 residues pruned to eliminate duplicates Z: 32 39.762 2.145 0.634 0.850 0.968 0.871 CB 1.560 32 residues pruned to eliminate duplicates Z: 33 82.380 2.486 1.108 0.947 1.000 0.906 CB 1.920 40 residues pruned to eliminate duplicates Z: 32 87.488 2.471 1.315 0.952 1.000 0.935 CB 1.893 32 residues pruned to eliminate duplicates Z: 36 49.859 2.217 0.646 0.887 0.971 0.829 CB 1.714 36 residues pruned to eliminate duplicates Z: 26 61.005 2.404 0.915 0.932 0.960 0.880 CB 1.927 26 residues pruned to eliminate duplicates Z: 100 110.219 2.403 1.129 0.808 0.990 0.778 CB 1.671 100 residues pruned to eliminate duplicates Z: 127 140.880 2.515 1.115 0.804 0.992 0.778 CB 1.825 121 residues pruned to eliminate duplicates Z: 20 55.434 2.457 0.858 0.901 1.000 0.842 CB 1.989 20 residues pruned to eliminate duplicates Z: 30 58.574 2.391 0.903 0.923 0.966 0.862 CB 1.740 30 residues pruned to eliminate duplicates Z: 27 58.531 2.431 0.741 0.948 1.000 1.000 CB 1.872 27 residues pruned to eliminate duplicates Z: 178 163.669 2.477 1.074 0.834 0.983 0.774 CB 1.826 177 residues pruned to eliminate duplicates Z: 89 119.273 2.496 1.150 0.831 1.000 0.818 CB 1.780 90 residues pruned to eliminate duplicates Z: 48 63.290 2.376 0.677 0.888 0.957 0.766 CB 1.743 48 residues pruned to eliminate duplicates Z: 34 50.472 2.218 0.720 0.875 1.000 0.818 CB 1.674 34 residues pruned to eliminate duplicates Z: 40 59.609 2.398 1.002 0.735 0.949 0.744 CB 1.697 40 residues pruned to eliminate duplicates Z: 64 72.821 2.410 0.575 0.894 0.984 0.778 CB 1.762 64 residues pruned to eliminate duplicates Z: 28 64.390 2.470 1.209 0.780 1.000 0.852 CB 1.774 28 residues pruned to eliminate duplicates Z: 113 120.768 2.468 1.116 0.813 0.973 0.714 CB 1.711 113 residues pruned to eliminate duplicates Z: 62 103.690 2.510 1.221 0.842 1.000 0.770 CB 1.775 62 residues pruned to eliminate duplicates Z: 43 80.179 2.444 1.190 0.807 1.000 0.833 CB 1.769 43 residues pruned to eliminate duplicates Z: 130 122.950 2.452 0.932 0.822 0.969 0.705 CB 1.784 130 residues pruned to eliminate duplicates Z: 57 69.730 2.410 0.870 0.745 0.946 0.786 CB 1.755 40 residues pruned to eliminate duplicates 6 1.209 1.166 0.995 0.641 0.800 0.600 CB 0.255 ? Z: 34 63.463 2.532 0.799 0.844 0.939 0.667 CB 1.921 34 residues pruned to eliminate duplicates Z: 27 91.435 2.680 1.147 0.911 1.000 0.808 CB 2.209 27 residues pruned to eliminate duplicates Z: 54 83.483 2.530 0.864 0.841 0.962 0.849 CB 1.885 54 residues pruned to eliminate duplicates Z: 57 101.715 2.530 1.173 0.842 1.000 0.786 CB 1.842 57 residues pruned to eliminate duplicates Z: 29 50.763 2.260 0.838 0.941 1.000 0.821 CB 1.602 29 residues pruned to eliminate duplicates Z: 11 22.350 2.162 0.452 0.915 1.000 0.900 CB 1.592 11 residues pruned to eliminate duplicates Z: 32 58.919 2.399 1.260 0.709 0.968 0.806 CB 1.668 32 residues pruned to eliminate duplicates Z: 25 69.685 2.409 1.228 0.918 1.000 0.875 CB 1.869 25 residues pruned to eliminate duplicates Z: 58 92.935 2.428 1.204 0.810 0.982 0.789 CB 1.787 58 residues pruned to eliminate duplicates Z: 102 125.315 2.495 1.180 0.817 1.000 0.832 CB 1.740 102 residues pruned to eliminate duplicates Z: 27 66.845 2.452 1.124 0.941 0.962 0.923 CB 1.817 27 residues pruned to eliminate duplicates Z: 20 44.782 2.505 0.888 0.705 0.947 0.684 CB 1.904 20 residues pruned to eliminate duplicates Z: 192 162.923 2.492 0.988 0.822 0.990 0.754 CB 1.819 192 residues pruned to eliminate duplicates Z: 15 33.482 2.449 0.965 0.587 0.929 0.714 CB 1.842 15 residues pruned to eliminate duplicates Z: 86 113.072 2.477 1.156 0.829 1.000 0.788 CB 1.729 86 residues pruned to eliminate duplicates Z: 52 79.908 2.415 1.110 0.784 0.980 0.765 CB 1.744 52 residues pruned to eliminate duplicates Z: 91 97.494 2.400 0.897 0.798 0.956 0.778 CB 1.820 91 residues pruned to eliminate duplicates Z: 41 65.626 2.411 1.033 0.774 0.925 0.675 CB 1.796 41 residues pruned to eliminate duplicates Z: 118 119.800 2.502 0.869 0.814 0.957 0.726 CB 1.883 118 residues pruned to eliminate duplicates Z: 22 46.758 2.371 0.774 0.883 1.000 0.857 CB 1.754 22 residues pruned to eliminate duplicates Z: 65 83.903 2.420 1.011 0.775 0.938 0.734 CB 1.803 65 residues pruned to eliminate duplicates Z: 121 134.478 2.519 1.038 0.801 0.958 0.742 CB 1.919 121 residues pruned to eliminate duplicates Z: 123 135.949 2.542 0.955 0.815 0.984 0.754 CB 1.915 123 residues pruned to eliminate duplicates Z: 15 24.963 1.995 0.877 0.738 1.000 0.714 CB 1.439 15 residues pruned to eliminate duplicates Z: 23 36.072 2.213 0.730 0.697 1.000 0.864 CB 1.678 23 residues pruned to eliminate duplicates Z: 34 77.912 2.585 1.111 0.786 0.970 0.818 CB 1.993 34 residues pruned to eliminate duplicates Z: 37 59.274 2.334 0.792 0.828 1.000 0.694 CB 1.779 37 residues pruned to eliminate duplicates Z: 22 61.071 2.653 0.867 0.804 0.952 0.619 CA 2.167 22 residues pruned to eliminate duplicates Z: 114 124.027 2.486 0.892 0.845 0.982 0.770 CB 1.878 114 residues pruned to eliminate duplicates Z: 32 90.153 2.527 1.415 0.963 1.000 0.871 CB 1.814 32 residues pruned to eliminate duplicates Z: 44 62.281 2.293 0.831 0.816 0.977 0.767 CB 1.760 44 residues pruned to eliminate duplicates Z: 60 89.666 2.421 1.343 0.809 0.932 0.797 CB 1.686 60 residues pruned to eliminate duplicates Z: 23 62.927 2.428 1.076 0.939 1.000 0.727 CB 1.850 23 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 127 141.365 2.539 0.951 0.852 0.984 0.770 CB 1.911 127 residues pruned to eliminate duplicates Z: 220 180.387 2.504 1.016 0.834 0.982 0.772 CB 1.843 220 residues pruned to eliminate duplicates Z: 221 177.916 2.486 1.023 0.831 0.982 0.800 CB 1.826 221 residues pruned to eliminate duplicates Z: 222 177.419 2.496 1.004 0.825 0.977 0.756 CB 1.843 222 residues pruned to eliminate duplicates Z: 174 160.398 2.502 1.036 0.841 0.977 0.734 CB 1.827 174 residues pruned to eliminate duplicates Z: 216 176.383 2.501 1.009 0.826 0.977 0.763 CB 1.849 216 residues pruned to eliminate duplicates Z: 151 147.376 2.447 1.122 0.810 1.000 0.773 CB 1.769 151 residues pruned to eliminate duplicates Z: 72 99.934 2.463 0.869 0.853 0.986 0.704 CB 1.931 72 residues pruned to eliminate duplicates Z: 104 106.448 2.429 0.874 0.800 0.981 0.757 CB 1.807 104 residues pruned to eliminate duplicates Z: 138 143.781 2.535 0.965 0.835 0.978 0.788 CB 1.889 138 residues pruned to eliminate duplicates Z: 221 179.231 2.497 1.039 0.822 0.977 0.782 CB 1.837 221 residues pruned to eliminate duplicates Z: 208 180.550 2.514 1.041 0.840 0.990 0.739 CB 1.842 208 residues pruned to eliminate duplicates Z: 115 127.469 2.523 0.904 0.844 0.965 0.798 CB 1.916 115 residues pruned to eliminate duplicates Z: 116 127.481 2.512 0.895 0.844 0.974 0.800 CB 1.907 116 residues pruned to eliminate duplicates Z: 139 142.504 2.523 0.937 0.834 0.978 0.775 CB 1.901 139 residues pruned to eliminate duplicates Z: 220 183.874 2.507 1.025 0.835 0.991 0.776 CB 1.850 220 residues pruned to eliminate duplicates Z: 219 177.336 2.505 1.022 0.823 0.977 0.798 CB 1.834 219 residues pruned to eliminate duplicates Z: 139 141.591 2.516 1.002 0.819 0.957 0.775 CB 1.898 139 residues pruned to eliminate duplicates Z: 80 105.341 2.545 0.819 0.847 0.987 0.823 CB 1.924 80 residues pruned to eliminate duplicates Z: 220 178.519 2.505 0.998 0.827 0.982 0.776 CB 1.850 220 residues pruned to eliminate duplicates Z: 118 129.777 2.512 0.914 0.841 0.983 0.786 CB 1.893 118 residues pruned to eliminate duplicates Z: 174 156.071 2.485 0.986 0.833 0.994 0.769 CB 1.815 174 residues pruned to eliminate duplicates Z: 128 131.249 2.496 0.900 0.830 0.961 0.803 CB 1.922 128 residues pruned to eliminate duplicates Z: 208 177.509 2.523 1.038 0.824 0.976 0.763 CB 1.857 208 residues pruned to eliminate duplicates Z: 221 181.143 2.492 1.071 0.820 0.977 0.755 CB 1.835 221 residues pruned to eliminate duplicates Z: 58 82.394 2.498 0.972 0.794 0.930 0.807 CB 1.841 58 residues pruned to eliminate duplicates Z: 57 83.816 2.464 0.961 0.784 0.964 0.839 CB 1.873 57 residues pruned to eliminate duplicates Z: 62 74.473 2.390 0.955 0.724 0.902 0.754 CB 1.849 62 residues pruned to eliminate duplicates Z: 221 180.092 2.497 1.006 0.836 0.991 0.795 CB 1.830 221 residues pruned to eliminate duplicates Z: 220 177.268 2.474 1.049 0.821 0.986 0.808 CB 1.814 220 residues pruned to eliminate duplicates Z: 219 171.650 2.468 1.051 0.802 0.982 0.757 CB 1.797 219 residues pruned to eliminate duplicates Z: 118 125.771 2.518 0.879 0.817 0.966 0.769 CB 1.932 118 residues pruned to eliminate duplicates Z: 118 118.306 2.462 0.915 0.802 0.957 0.744 CB 1.862 118 residues pruned to eliminate duplicates Z: 57 87.694 2.510 0.943 0.789 0.964 0.821 CB 1.933 57 residues pruned to eliminate duplicates Z: 105 125.973 2.510 0.977 0.838 0.971 0.779 CB 1.916 105 residues pruned to eliminate duplicates Z: 220 173.309 2.476 1.048 0.815 0.977 0.776 CB 1.797 220 residues pruned to eliminate duplicates Z: 220 177.984 2.508 0.977 0.833 0.986 0.813 CB 1.844 220 residues pruned to eliminate duplicates Z: 57 81.457 2.515 0.859 0.791 0.964 0.786 CB 1.871 57 residues pruned to eliminate duplicates Z: 220 180.798 2.483 1.071 0.824 0.986 0.772 CB 1.819 220 residues pruned to eliminate duplicates Z: 211 180.559 2.521 1.078 0.826 0.967 0.771 CB 1.856 211 residues pruned to eliminate duplicates Z: 46 76.492 2.499 0.988 0.771 0.978 0.822 CB 1.848 46 residues pruned to eliminate duplicates Z: 50 64.718 2.394 1.029 0.680 0.939 0.776 CB 1.718 50 residues pruned to eliminate duplicates Z: 126 133.024 2.509 0.899 0.827 0.976 0.784 CB 1.928 126 residues pruned to eliminate duplicates Z: 187 160.872 2.486 1.015 0.833 0.973 0.780 CB 1.816 187 residues pruned to eliminate duplicates Z: 185 134.006 2.450 0.849 0.783 0.940 0.750 CB 1.808 131 residues pruned to eliminate duplicates Z: 6 14.310 2.144 1.063 0.508 1.000 0.600 CA 1.435 6 residues pruned to eliminate duplicates Z: 153 140.424 2.484 1.007 0.830 0.961 0.750 CB 1.789 108 residues pruned to eliminate duplicates Z: 6 8.411 1.649 0.779 0.806 1.000 0.600 CA 0.982 Z: 36 68.392 2.467 0.870 0.883 1.000 0.857 CB 1.811 36 residues pruned to eliminate duplicates Z: 153 135.903 2.487 0.903 0.819 0.980 0.803 CB 1.801 153 residues pruned to eliminate duplicates Z: 154 137.625 2.473 0.956 0.832 0.967 0.765 CB 1.785 158 residues pruned to eliminate duplicates Z: 34 78.295 2.462 1.082 0.960 1.000 0.879 CB 1.821 34 residues pruned to eliminate duplicates Z: 221 172.733 2.507 0.927 0.832 0.982 0.773 CB 1.843 221 residues pruned to eliminate duplicates Z: 107 111.204 2.509 0.920 0.808 0.981 0.745 CB 1.748 107 residues pruned to eliminate duplicates Z: 55 86.758 2.488 0.972 0.822 0.981 0.833 CB 1.856 55 residues pruned to eliminate duplicates Z: 153 145.010 2.484 1.020 0.839 0.980 0.730 CB 1.786 153 residues pruned to eliminate duplicates Z: 33 86.342 2.513 1.290 0.957 1.000 0.844 CB 1.820 33 residues pruned to eliminate duplicates Z: 132 138.609 2.538 1.045 0.823 0.962 0.702 CB 1.834 132 residues pruned to eliminate duplicates Z: 137 131.257 2.496 0.977 0.804 0.971 0.765 CB 1.802 137 residues pruned to eliminate duplicates Z: 107 109.226 2.502 0.933 0.805 0.962 0.774 CB 1.748 107 residues pruned to eliminate duplicates Z: 107 112.749 2.509 0.948 0.813 0.962 0.802 CB 1.773 107 residues pruned to eliminate duplicates Z: 220 171.565 2.518 0.903 0.832 0.982 0.753 CB 1.850 220 residues pruned to eliminate duplicates Z: 217 168.890 2.499 0.969 0.813 0.968 0.764 CB 1.838 217 residues pruned to eliminate duplicates Z: 153 140.602 2.484 0.998 0.824 0.967 0.776 CB 1.795 153 residues pruned to eliminate duplicates Z: 209 168.232 2.514 0.922 0.830 0.981 0.760 CB 1.851 153 residues pruned to eliminate duplicates Z: 34 81.342 2.420 1.281 0.943 1.000 0.818 CB 1.777 34 residues pruned to eliminate duplicates Z: 153 145.071 2.482 1.003 0.838 0.980 0.743 CB 1.805 153 residues pruned to eliminate duplicates Z: 107 114.292 2.496 0.996 0.816 0.981 0.736 CB 1.726 107 residues pruned to eliminate duplicates Z: 69 99.143 2.504 1.041 0.844 0.985 0.809 CB 1.777 69 residues pruned to eliminate duplicates Z: 108 116.652 2.472 1.030 0.795 0.981 0.720 CB 1.768 108 residues pruned to eliminate duplicates Z: 105 120.194 2.517 1.038 0.824 0.981 0.731 CB 1.769 105 residues pruned to eliminate duplicates Z: 34 88.491 2.471 1.304 0.945 1.000 0.788 CB 1.872 34 residues pruned to eliminate duplicates Z: 107 117.758 2.493 1.022 0.809 0.981 0.783 CB 1.766 107 residues pruned to eliminate duplicates Z: 57 86.910 2.454 1.040 0.826 0.982 0.804 CB 1.781 57 residues pruned to eliminate duplicates Z: 54 91.654 2.499 1.132 0.837 0.981 0.811 CB 1.801 54 residues pruned to eliminate duplicates Z: 207 164.968 2.495 0.996 0.822 0.966 0.728 CB 1.808 207 residues pruned to eliminate duplicates Z: 151 131.029 2.453 0.983 0.809 0.960 0.747 CB 1.750 151 residues pruned to eliminate duplicates Z: 55 93.757 2.478 1.122 0.820 1.000 0.722 CB 1.839 55 residues pruned to eliminate duplicates Z: 175 152.503 2.490 0.966 0.826 0.977 0.747 CB 1.823 175 residues pruned to eliminate duplicates Z: 133 142.409 2.532 1.096 0.820 0.970 0.727 CB 1.824 133 residues pruned to eliminate duplicates Z: 220 172.717 2.505 0.969 0.830 0.968 0.781 CB 1.839 220 residues pruned to eliminate duplicates Z: 55 97.220 2.518 1.094 0.846 1.000 0.796 CB 1.864 55 residues pruned to eliminate duplicates Z: 221 171.522 2.500 0.943 0.827 0.977 0.768 CB 1.836 209 residues pruned to eliminate duplicates Z: 31 47.956 2.355 0.504 0.898 0.967 0.833 CB 1.829 31 residues pruned to eliminate duplicates Z: 133 143.922 2.526 1.086 0.824 0.985 0.735 CB 1.823 133 residues pruned to eliminate duplicates Z: 153 147.489 2.486 1.068 0.822 0.980 0.737 CB 1.795 153 residues pruned to eliminate duplicates Z: 156 144.182 2.476 1.022 0.824 0.968 0.748 CB 1.805 156 residues pruned to eliminate duplicates Z: 106 117.340 2.487 1.044 0.817 0.981 0.752 CB 1.745 106 residues pruned to eliminate duplicates Z: 107 122.361 2.484 1.107 0.814 0.991 0.736 CB 1.745 107 residues pruned to eliminate duplicates Z: 220 172.533 2.505 0.951 0.823 0.982 0.758 CB 1.838 220 residues pruned to eliminate duplicates Z: 221 172.573 2.499 0.967 0.833 0.968 0.795 CB 1.834 221 residues pruned to eliminate duplicates Z: 219 172.011 2.507 0.948 0.819 0.977 0.784 CB 1.851 219 residues pruned to eliminate duplicates Z: 108 119.841 2.479 1.030 0.798 1.000 0.776 CB 1.774 108 residues pruned to eliminate duplicates Z: 106 124.196 2.510 1.106 0.811 0.990 0.705 CB 1.765 106 residues pruned to eliminate duplicates Z: 207 171.568 2.510 1.010 0.820 0.976 0.767 CB 1.839 207 residues pruned to eliminate duplicates Z: 134 141.562 2.517 1.116 0.797 0.970 0.714 CB 1.831 134 residues pruned to eliminate duplicates Z: 107 125.992 2.496 1.150 0.814 0.981 0.774 CB 1.768 107 residues pruned to eliminate duplicates Z: 158 140.871 2.454 1.019 0.809 0.968 0.777 CB 1.790 158 residues pruned to eliminate duplicates Z: 156 151.932 2.480 1.123 0.832 0.974 0.703 CB 1.786 156 residues pruned to eliminate duplicates Z: 106 126.732 2.505 1.184 0.817 0.981 0.781 CB 1.749 106 residues pruned to eliminate duplicates Z: 106 124.139 2.510 1.123 0.813 0.971 0.762 CB 1.782 106 residues pruned to eliminate duplicates Z: 220 181.121 2.514 1.036 0.840 0.977 0.744 CB 1.826 220 residues pruned to eliminate duplicates Z: 107 125.100 2.487 1.130 0.812 1.000 0.764 CB 1.748 107 residues pruned to eliminate duplicates Z: 107 124.722 2.488 1.122 0.808 1.000 0.774 CB 1.754 107 residues pruned to eliminate duplicates Z: 154 142.283 2.471 1.027 0.815 0.980 0.739 CB 1.781 154 residues pruned to eliminate duplicates Z: 172 149.984 2.484 0.992 0.821 0.971 0.725 CB 1.807 172 residues pruned to eliminate duplicates Z: 219 181.213 2.512 1.056 0.836 0.968 0.739 CB 1.837 219 residues pruned to eliminate duplicates Z: 105 123.929 2.515 1.097 0.812 0.990 0.760 CB 1.774 105 residues pruned to eliminate duplicates Z: 107 126.339 2.488 1.154 0.808 0.991 0.755 CB 1.767 107 residues pruned to eliminate duplicates Z: 221 175.336 2.502 1.010 0.835 0.968 0.777 CB 1.819 221 residues pruned to eliminate duplicates Z: 31 69.670 2.505 1.188 0.849 1.000 0.733 CB 1.721 31 residues pruned to eliminate duplicates Z: 105 126.634 2.506 1.187 0.818 0.990 0.731 CB 1.736 105 residues pruned to eliminate duplicates Z: 208 169.838 2.492 1.011 0.820 0.981 0.739 CB 1.819 208 residues pruned to eliminate duplicates Z: 105 125.497 2.516 1.160 0.825 0.971 0.769 CB 1.760 105 residues pruned to eliminate duplicates Z: 177 159.025 2.489 1.036 0.836 0.977 0.693 CB 1.812 177 residues pruned to eliminate duplicates Z: 108 124.111 2.473 1.157 0.804 0.991 0.720 CB 1.741 108 residues pruned to eliminate duplicates Z: 220 182.422 2.511 1.053 0.839 0.977 0.726 CB 1.827 221 residues pruned to eliminate duplicates Z: 22 51.036 2.412 1.065 0.891 0.952 0.857 CB 1.688 22 residues pruned to eliminate duplicates Z: 220 173.714 2.499 1.023 0.835 0.959 0.749 CB 1.813 220 residues pruned to eliminate duplicates Z: 153 148.777 2.480 1.083 0.840 0.974 0.717 CB 1.791 153 residues pruned to eliminate duplicates Z: 106 126.235 2.504 1.130 0.819 1.000 0.790 CB 1.751 106 residues pruned to eliminate duplicates Z: 184 156.213 2.466 1.020 0.817 0.984 0.776 CB 1.789 184 residues pruned to eliminate duplicates Z: 106 124.925 2.488 1.182 0.817 0.981 0.800 CB 1.737 106 residues pruned to eliminate duplicates Z: 76 87.821 2.456 0.878 0.795 0.933 0.707 CB 1.819 76 residues pruned to eliminate duplicates Z: 164 148.894 2.469 1.088 0.821 0.975 0.712 CB 1.757 152 residues pruned to eliminate duplicates Z: 22 51.718 2.457 0.901 0.903 1.000 0.714 CB 1.722 22 residues pruned to eliminate duplicates Z: 106 123.321 2.493 1.122 0.821 0.990 0.743 CB 1.740 106 residues pruned to eliminate duplicates Z: 133 133.027 2.450 1.157 0.783 0.970 0.765 CB 1.760 133 residues pruned to eliminate duplicates Z: 106 126.801 2.495 1.203 0.816 0.971 0.695 CB 1.760 106 residues pruned to eliminate duplicates Z: 157 157.608 2.472 1.156 0.834 0.994 0.769 CB 1.785 157 residues pruned to eliminate duplicates Z: 153 154.184 2.480 1.130 0.845 0.987 0.730 CB 1.784 153 residues pruned to eliminate duplicates Z: 219 176.034 2.515 0.999 0.834 0.968 0.789 CB 1.836 219 residues pruned to eliminate duplicates Z: 22 50.369 2.422 0.847 0.887 1.000 0.857 CB 1.771 22 residues pruned to eliminate duplicates Z: 107 125.327 2.488 1.203 0.809 0.972 0.698 CB 1.746 107 residues pruned to eliminate duplicates Z: 107 124.808 2.495 1.182 0.813 0.962 0.726 CB 1.763 107 residues pruned to eliminate duplicates Z: 105 129.065 2.512 1.148 0.833 1.000 0.731 CB 1.759 105 residues pruned to eliminate duplicates Z: 138 147.399 2.528 1.019 0.830 0.971 0.752 CB 1.911 138 residues pruned to eliminate duplicates Z: 17 33.161 2.296 0.905 0.710 0.812 0.625 CB 1.929 17 residues pruned to eliminate duplicates Z: 105 130.275 2.512 1.170 0.833 1.000 0.760 CB 1.758 105 residues pruned to eliminate duplicates Z: 152 147.675 2.514 0.972 0.834 0.967 0.742 CB 1.879 151 residues pruned to eliminate duplicates Z: 31 74.901 2.505 1.303 0.814 0.900 0.533 CB 2.003 31 residues pruned to eliminate duplicates Z: 135 149.951 2.504 1.181 0.822 0.985 0.739 CB 1.822 135 residues pruned to eliminate duplicates Z: 170 145.753 2.452 1.044 0.821 0.964 0.686 CB 1.756 170 residues pruned to eliminate duplicates Z: 110 123.107 2.456 1.144 0.802 0.982 0.706 CB 1.752 110 residues pruned to eliminate duplicates Z: 157 143.899 2.457 1.037 0.815 0.981 0.724 CB 1.785 157 residues pruned to eliminate duplicates Z: 153 150.109 2.482 1.098 0.836 0.974 0.757 CB 1.798 153 residues pruned to eliminate duplicates Z: 122 143.904 2.532 1.178 0.828 0.975 0.777 CB 1.832 122 residues pruned to eliminate duplicates Z: 155 149.003 2.462 1.121 0.827 0.974 0.753 CB 1.780 155 residues pruned to eliminate duplicates Z: 152 151.829 2.488 1.155 0.840 0.967 0.788 CB 1.779 152 residues pruned to eliminate duplicates Z: 152 149.753 2.486 1.125 0.823 0.980 0.775 CB 1.779 165 residues pruned to eliminate duplicates Z: 19 61.309 2.527 1.472 0.888 0.889 0.722 CB 1.876 19 residues pruned to eliminate duplicates Z: 221 181.077 2.505 1.045 0.839 0.968 0.759 CB 1.838 221 residues pruned to eliminate duplicates Z: 114 129.885 2.524 0.923 0.849 0.973 0.788 CB 1.917 114 residues pruned to eliminate duplicates Z: 115 129.574 2.509 0.977 0.834 0.965 0.746 CB 1.901 115 residues pruned to eliminate duplicates Z: 39 101.183 2.626 1.214 0.835 1.000 0.684 CB 2.115 39 residues pruned to eliminate duplicates Z: 220 184.803 2.510 1.090 0.828 0.973 0.744 CB 1.842 220 residues pruned to eliminate duplicates Z: 19 63.051 2.596 1.159 0.851 1.000 0.722 CA 1.963 19 residues pruned to eliminate duplicates Z: 219 177.371 2.503 1.040 0.823 0.968 0.697 CB 1.837 219 residues pruned to eliminate duplicates Z: 134 150.870 2.519 1.179 0.822 0.985 0.767 CB 1.831 134 residues pruned to eliminate duplicates Z: 153 150.361 2.482 1.120 0.837 0.980 0.763 CB 1.768 153 residues pruned to eliminate duplicates Z: 219 178.304 2.515 1.007 0.831 0.977 0.784 CB 1.839 219 residues pruned to eliminate duplicates Z: 153 149.786 2.483 1.084 0.839 0.980 0.743 CB 1.789 153 residues pruned to eliminate duplicates Z: 152 144.360 2.453 1.085 0.827 0.980 0.728 CB 1.766 152 residues pruned to eliminate duplicates Z: 140 145.291 2.516 0.964 0.840 0.986 0.784 CB 1.888 140 residues pruned to eliminate duplicates Z: 174 169.022 2.505 1.102 0.853 0.983 0.786 CB 1.837 174 residues pruned to eliminate duplicates Z: 221 181.672 2.492 1.045 0.829 0.991 0.732 CB 1.826 221 residues pruned to eliminate duplicates Z: 219 173.011 2.485 1.030 0.811 0.977 0.734 CB 1.813 219 residues pruned to eliminate duplicates Z: 33 66.961 2.446 1.088 0.751 0.938 0.594 CB 1.976 33 residues pruned to eliminate duplicates Z: 219 180.426 2.506 1.039 0.829 0.977 0.748 CB 1.842 219 residues pruned to eliminate duplicates Z: 140 143.725 2.513 0.960 0.838 0.978 0.719 CB 1.891 140 residues pruned to eliminate duplicates Z: 135 144.540 2.488 1.162 0.792 0.985 0.724 CB 1.824 135 residues pruned to eliminate duplicates Z: 220 174.684 2.499 1.011 0.817 0.973 0.804 CB 1.833 220 residues pruned to eliminate duplicates Z: 221 181.257 2.494 1.058 0.823 0.982 0.768 CB 1.832 221 residues pruned to eliminate duplicates Z: 152 142.544 2.507 0.955 0.818 0.967 0.795 CB 1.857 152 residues pruned to eliminate duplicates Z: 208 175.034 2.507 1.017 0.821 0.986 0.754 CB 1.848 208 residues pruned to eliminate duplicates Z: 152 150.908 2.491 1.040 0.839 1.000 0.795 CB 1.805 152 residues pruned to eliminate duplicates Z: 23 36.064 2.247 0.846 0.661 0.909 0.591 CB 1.756 23 residues pruned to eliminate duplicates Z: 221 175.500 2.499 1.018 0.830 0.959 0.773 CB 1.839 221 residues pruned to eliminate duplicates Z: 103 124.174 2.542 0.887 0.853 0.971 0.775 CB 1.951 103 residues pruned to eliminate duplicates Z: 151 145.702 2.456 1.085 0.818 0.987 0.733 CB 1.786 151 residues pruned to eliminate duplicates Z: 205 173.932 2.499 1.023 0.827 0.990 0.735 CB 1.834 205 residues pruned to eliminate duplicates Z: 58 84.146 2.497 0.930 0.785 0.965 0.860 CB 1.864 58 residues pruned to eliminate duplicates Z: 58 81.451 2.496 0.866 0.808 0.947 0.860 CB 1.869 58 residues pruned to eliminate duplicates Z: 53 75.157 2.454 0.910 0.753 0.962 0.808 CB 1.846 53 residues pruned to eliminate duplicates Z: 221 181.970 2.498 1.031 0.827 0.991 0.777 CB 1.839 221 residues pruned to eliminate duplicates Z: 58 79.364 2.481 0.912 0.740 0.947 0.772 CB 1.887 27 residues pruned to eliminate duplicates Z: 22 58.328 2.458 0.990 0.930 0.952 0.810 CA 1.911 8 residues pruned to eliminate duplicates Z: 22 60.303 2.468 1.014 0.931 0.952 0.762 CA 1.944 22 residues pruned to eliminate duplicates Z: 21 65.935 2.601 1.047 0.929 0.950 0.900 CB 2.040 21 residues pruned to eliminate duplicates Z: 58 83.521 2.487 1.013 0.751 0.912 0.754 CB 1.936 45 residues pruned to eliminate duplicates Z: 22 68.116 2.487 1.239 0.901 0.952 0.762 CA 2.001 22 residues pruned to eliminate duplicates Z: 58 72.643 2.480 0.906 0.740 0.912 0.825 CB 1.800 22 residues pruned to eliminate duplicates Z: 23 67.659 2.360 1.242 0.924 1.000 0.818 CA 1.914 23 residues pruned to eliminate duplicates Z: 117 119.243 2.463 0.979 0.803 0.948 0.750 CB 1.838 117 residues pruned to eliminate duplicates Z: 44 79.409 2.486 1.099 0.791 0.977 0.814 CB 1.841 44 residues pruned to eliminate duplicates Z: 221 183.072 2.499 1.043 0.830 0.991 0.786 CB 1.835 221 residues pruned to eliminate duplicates Z: 44 78.282 2.483 1.183 0.791 0.930 0.767 CB 1.833 44 residues pruned to eliminate duplicates Z: 220 181.034 2.503 1.033 0.830 0.986 0.785 CB 1.832 220 residues pruned to eliminate duplicates Z: 220 182.206 2.502 1.030 0.833 0.986 0.795 CB 1.845 220 residues pruned to eliminate duplicates Z: 222 182.359 2.489 1.045 0.827 0.991 0.742 CB 1.832 222 residues pruned to eliminate duplicates Z: 154 143.120 2.477 0.994 0.805 0.974 0.739 CB 1.844 154 residues pruned to eliminate duplicates Z: 42 86.782 2.561 1.288 0.814 0.927 0.829 CB 1.900 42 residues pruned to eliminate duplicates Z: 43 83.980 2.511 1.189 0.788 0.976 0.810 CB 1.875 43 residues pruned to eliminate duplicates Z: 54 85.494 2.482 0.999 0.783 0.981 0.717 CB 1.880 54 residues pruned to eliminate duplicates Z: 17 21.613 2.014 0.790 0.585 0.938 0.750 CB 1.474 17 residues pruned to eliminate duplicates Z: 221 182.956 2.501 1.044 0.835 0.986 0.768 CB 1.833 221 residues pruned to eliminate duplicates Z: 53 69.664 2.453 0.962 0.715 0.904 0.750 CB 1.829 53 residues pruned to eliminate duplicates Z: 16 25.274 2.076 0.859 0.655 0.933 0.800 CB 1.569 16 residues pruned to eliminate duplicates Z: 53 73.688 2.432 1.097 0.756 0.904 0.673 CB 1.764 53 residues pruned to eliminate duplicates Z: 14 31.433 2.176 0.960 0.703 1.000 0.923 CA 1.700 14 residues pruned to eliminate duplicates Z: 58 78.320 2.481 0.865 0.753 0.947 0.825 CB 1.888 58 residues pruned to eliminate duplicates 219 residues left after pruning, divided into chains as follows: A: 186 B: 33 CC for partial structure against native data = 43.84 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.665, Connect. = 0.805 for dens.mod. cycle 1 = 0.300, Contrast = 0.750, Connect. = 0.827 for dens.mod. cycle 2 = 0.300, Contrast = 0.916, Connect. = 0.851 for dens.mod. cycle 3 = 0.300, Contrast = 0.933, Connect. = 0.854 for dens.mod. cycle 4 = 0.300, Contrast = 0.950, Connect. = 0.855 for dens.mod. cycle 5 = 0.300, Contrast = 0.955, Connect. = 0.856 for dens.mod. cycle 6 = 0.300, Contrast = 0.960, Connect. = 0.857 for dens.mod. cycle 7 = 0.300, Contrast = 0.962, Connect. = 0.858 for dens.mod. cycle 8 = 0.300, Contrast = 0.964, Connect. = 0.858 for dens.mod. cycle 9 = 0.300, Contrast = 0.965, Connect. = 0.858 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1588 peaks > 0.5 sigma used to seed fragment search Space for about 385 unique residues taking solvent into account 295 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 33 75.419 2.501 0.933 0.949 1.000 0.906 CB 1.903 B: 30 69.689 2.411 1.255 0.911 1.000 0.724 CB 1.687 C: 27 82.143 2.713 1.075 0.866 0.962 0.692 CB 2.178 D: 32 75.151 2.564 0.941 0.958 1.000 0.903 CB 1.860 33 residues pruned to eliminate duplicates E: 27 83.745 2.685 1.195 0.893 0.962 0.615 CB 2.080 26 residues pruned to eliminate duplicates F: 20 42.343 2.527 0.511 0.868 0.947 0.789 CB 1.963 G: 29 81.289 2.564 1.291 0.862 0.929 0.643 CB 2.068 29 residues pruned to eliminate duplicates H: 29 72.091 2.535 1.079 0.919 1.000 0.929 CB 1.821 30 residues pruned to eliminate duplicates I: 10 21.408 2.268 0.449 0.864 1.000 0.778 CB 1.592 J: 9 19.809 2.519 0.356 0.872 1.000 1.000 CB 1.494 9 residues pruned to eliminate duplicates K: 21 61.811 2.525 1.252 0.842 0.900 0.650 CB 2.013 21 residues pruned to eliminate duplicates L: 29 61.100 2.545 1.112 0.813 0.821 0.679 CB 1.991 29 residues pruned to eliminate duplicates M: 22 58.642 2.430 1.133 0.933 0.905 0.857 CB 1.905 N: 22 62.157 2.444 0.959 0.936 1.000 0.905 CB 1.972 22 residues pruned to eliminate duplicates O: 30 68.757 2.458 0.987 0.914 1.000 0.931 CB 1.849 30 residues pruned to eliminate duplicates P: 29 69.618 2.470 1.095 0.849 0.929 0.714 CA 2.029 29 residues pruned to eliminate duplicates Q: 19 55.405 2.562 1.082 0.842 0.889 0.722 CA 2.052 19 residues pruned to eliminate duplicates R: 21 64.368 2.526 1.012 0.948 1.000 0.850 CA 1.956 21 residues pruned to eliminate duplicates S: 20 51.928 2.466 1.233 0.795 0.895 0.684 CB 1.868 20 residues pruned to eliminate duplicates T: 20 52.652 2.485 1.151 0.809 0.947 0.526 CA 1.822 20 residues pruned to eliminate duplicates U: 62 82.978 2.454 0.694 0.890 1.000 0.770 CB 1.839 30 residues pruned to eliminate duplicates V: 22 65.171 2.434 1.149 0.936 0.952 0.857 CA 1.987 22 residues pruned to eliminate duplicates W: 22 57.757 2.441 0.998 0.940 0.952 0.857 CA 1.884 22 residues pruned to eliminate duplicates X: 30 72.926 2.581 1.050 0.778 0.966 0.621 CB 2.074 30 residues pruned to eliminate duplicates Y: 51 68.697 2.412 0.645 0.886 0.960 0.660 CB 1.839 51 residues pruned to eliminate duplicates Z: 23 55.148 2.357 1.015 0.922 0.955 0.864 CA 1.825 23 residues pruned to eliminate duplicates Z: 34 72.570 2.477 0.862 0.961 1.000 0.909 CB 1.875 34 residues pruned to eliminate duplicates Z: 24 74.761 2.534 1.378 0.884 0.957 0.522 CB 1.955 24 residues pruned to eliminate duplicates Z: 34 74.742 2.412 1.006 0.945 1.000 0.939 CB 1.861 33 residues pruned to eliminate duplicates Z: 17 45.864 2.420 0.944 0.884 1.000 0.812 CB 1.761 Z: 64 79.330 2.366 0.767 0.888 0.984 0.762 CB 1.751 64 residues pruned to eliminate duplicates Z: 21 66.146 2.581 1.095 0.928 0.950 0.850 CB 2.016 21 residues pruned to eliminate duplicates Z: 33 87.164 2.522 1.300 0.958 1.000 0.844 CB 1.822 33 residues pruned to eliminate duplicates Z: 32 84.652 2.568 1.103 0.963 1.000 0.935 CB 1.924 32 residues pruned to eliminate duplicates Z: 31 62.663 2.391 1.027 0.877 0.967 0.767 CB 1.773 30 residues pruned to eliminate duplicates Z: 35 54.184 2.535 0.460 0.863 1.000 0.676 CB 1.842 35 residues pruned to eliminate duplicates Z: 30 57.230 2.436 0.690 0.922 0.966 0.862 CB 1.881 30 residues pruned to eliminate duplicates Z: 21 55.499 2.504 0.901 0.856 0.950 0.600 CA 2.025 21 residues pruned to eliminate duplicates Z: 10 22.719 2.307 0.627 0.821 1.000 0.889 CB 1.527 10 residues pruned to eliminate duplicates Z: 31 60.384 2.367 0.924 0.898 0.967 0.767 CB 1.792 31 residues pruned to eliminate duplicates Z: 24 55.162 2.294 1.027 0.903 1.000 0.783 CA 1.763 24 residues pruned to eliminate duplicates Z: 22 57.447 2.479 0.836 0.941 1.000 0.857 CA 1.911 22 residues pruned to eliminate duplicates Z: 21 69.154 2.546 1.099 0.949 1.000 0.850 CA 1.996 21 residues pruned to eliminate duplicates Z: 32 86.394 2.559 1.219 0.950 1.000 0.839 CB 1.885 32 residues pruned to eliminate duplicates Z: 30 68.520 2.541 1.118 0.839 0.862 0.655 CA 2.048 30 residues pruned to eliminate duplicates Z: 12 27.700 2.162 0.686 0.884 1.000 0.727 CB 1.655 Z: 33 70.327 2.481 0.910 0.938 0.969 0.906 CB 1.882 33 residues pruned to eliminate duplicates Z: 23 38.519 2.427 0.384 0.844 1.000 0.727 CB 1.819 23 residues pruned to eliminate duplicates Z: 28 83.648 2.707 1.174 0.853 0.926 0.778 CA 2.184 28 residues pruned to eliminate duplicates Z: 22 50.111 2.473 0.755 0.897 1.000 0.952 CB 1.803 16 residues pruned to eliminate duplicates Z: 62 76.034 2.379 0.761 0.877 0.951 0.672 CB 1.775 62 residues pruned to eliminate duplicates Z: 12 38.053 2.502 0.926 0.854 0.909 0.636 CA 1.934 12 residues pruned to eliminate duplicates Z: 33 86.038 2.511 1.206 0.959 1.000 0.906 CB 1.882 33 residues pruned to eliminate duplicates Z: 33 87.590 2.503 1.302 0.963 1.000 0.906 CB 1.837 33 residues pruned to eliminate duplicates Z: 20 49.533 2.392 0.926 0.856 0.947 0.789 CB 1.920 20 residues pruned to eliminate duplicates Z: 28 74.279 2.618 1.141 0.864 0.889 0.593 CB 2.104 28 residues pruned to eliminate duplicates Z: 32 82.361 2.565 1.117 0.957 1.000 0.935 CB 1.869 32 residues pruned to eliminate duplicates Z: 30 60.339 2.438 0.746 0.922 1.000 0.966 CB 1.851 30 residues pruned to eliminate duplicates Z: 14 39.640 2.468 0.962 0.865 1.000 0.692 CB 1.663 14 residues pruned to eliminate duplicates Z: 65 72.024 2.361 0.623 0.899 0.969 0.766 CB 1.733 65 residues pruned to eliminate duplicates Z: 12 27.711 2.320 0.357 0.830 1.000 0.727 CA 1.995 12 residues pruned to eliminate duplicates Z: 33 67.132 2.495 0.774 0.964 1.000 0.969 CB 1.832 33 residues pruned to eliminate duplicates Z: 16 40.638 2.379 0.529 0.892 1.000 0.933 CB 2.073 16 residues pruned to eliminate duplicates Z: 33 74.684 2.490 0.972 0.953 1.000 0.938 CB 1.851 33 residues pruned to eliminate duplicates Z: 26 74.308 2.646 0.999 0.923 0.960 0.800 CB 2.057 26 residues pruned to eliminate duplicates Z: 31 47.669 2.325 0.771 0.840 0.900 0.800 CB 1.752 31 residues pruned to eliminate duplicates Z: 22 52.235 2.450 0.896 0.871 1.000 0.857 CB 1.790 23 residues pruned to eliminate duplicates Z: 34 73.967 2.455 1.040 0.954 1.000 0.909 CB 1.768 34 residues pruned to eliminate duplicates Z: 31 60.068 2.389 1.007 0.879 0.967 0.833 CB 1.715 31 residues pruned to eliminate duplicates Z: 33 81.053 2.504 1.171 0.959 1.000 0.938 CB 1.806 33 residues pruned to eliminate duplicates Z: 19 55.815 2.604 1.108 0.818 0.944 0.667 CB 1.926 19 residues pruned to eliminate duplicates Z: 22 46.351 2.411 0.683 0.902 1.000 0.857 CB 1.777 22 residues pruned to eliminate duplicates Z: 12 24.433 2.126 0.700 0.856 0.909 0.727 CA 1.653 12 residues pruned to eliminate duplicates Z: 24 49.753 2.552 0.523 0.878 0.957 0.783 CB 2.024 24 residues pruned to eliminate duplicates Z: 21 60.387 2.535 1.038 0.940 0.950 0.750 CB 1.911 21 residues pruned to eliminate duplicates Z: 22 56.887 2.430 0.829 0.947 1.000 0.952 CA 1.929 22 residues pruned to eliminate duplicates Z: 22 59.803 2.453 0.955 0.947 0.952 0.810 CB 1.974 22 residues pruned to eliminate duplicates Z: 22 48.054 2.412 0.785 0.891 1.000 0.810 CB 1.751 22 residues pruned to eliminate duplicates Z: 22 64.153 2.442 1.066 0.926 1.000 0.857 CA 1.946 22 residues pruned to eliminate duplicates Z: 30 43.527 2.428 0.293 0.907 0.966 0.897 CB 1.895 30 residues pruned to eliminate duplicates Z: 55 72.489 2.359 0.703 0.890 0.981 0.722 CB 1.800 54 residues pruned to eliminate duplicates Z: 13 23.944 2.083 0.635 0.905 0.917 0.750 CB 1.576 13 residues pruned to eliminate duplicates Z: 12 30.484 2.175 0.873 0.909 1.000 0.727 CB 1.602 12 residues pruned to eliminate duplicates Z: 12 26.977 2.119 0.853 0.896 1.000 0.909 CB 1.484 12 residues pruned to eliminate duplicates Z: 33 73.985 2.470 1.018 0.953 1.000 0.969 CB 1.805 33 residues pruned to eliminate duplicates Z: 22 58.993 2.437 0.921 0.941 1.000 0.857 CA 1.909 22 residues pruned to eliminate duplicates Z: 33 74.937 2.498 1.065 0.943 1.000 0.844 CB 1.780 33 residues pruned to eliminate duplicates Z: 30 60.026 2.368 1.133 0.779 0.897 0.621 CB 1.925 30 residues pruned to eliminate duplicates Z: 221 174.096 2.506 0.962 0.828 0.977 0.768 CB 1.840 210 residues pruned to eliminate duplicates Z: 22 52.626 2.472 0.874 0.914 1.000 0.952 CB 1.753 22 residues pruned to eliminate duplicates Z: 22 51.520 2.427 0.926 0.885 1.000 0.714 CB 1.736 22 residues pruned to eliminate duplicates Z: 22 74.203 2.454 1.274 0.953 1.000 0.952 CA 1.997 22 residues pruned to eliminate duplicates Z: 32 72.074 2.557 0.828 0.959 1.000 0.968 CB 1.898 32 residues pruned to eliminate duplicates Z: 21 58.492 2.514 0.860 0.947 1.000 0.950 CA 1.934 21 residues pruned to eliminate duplicates Z: 31 46.837 2.368 0.426 0.918 1.000 0.933 CB 1.785 31 residues pruned to eliminate duplicates Z: 222 173.462 2.495 0.955 0.827 0.982 0.769 CB 1.836 221 residues pruned to eliminate duplicates Z: 36 59.339 2.468 0.693 0.861 0.971 0.743 CB 1.816 36 residues pruned to eliminate duplicates Z: 30 58.446 2.415 0.762 0.917 1.000 0.793 CB 1.801 30 residues pruned to eliminate duplicates Z: 22 39.423 2.453 0.411 0.906 1.000 0.857 CB 1.768 22 residues pruned to eliminate duplicates Z: 32 53.367 2.429 0.697 0.829 1.000 0.677 CB 1.750 32 residues pruned to eliminate duplicates Z: 22 60.650 2.419 0.991 0.930 1.000 0.905 CA 1.921 22 residues pruned to eliminate duplicates Z: 63 77.122 2.433 0.617 0.897 0.984 0.790 CB 1.812 63 residues pruned to eliminate duplicates Z: 65 83.471 2.382 0.796 0.896 0.984 0.734 CB 1.776 65 residues pruned to eliminate duplicates Z: 22 50.010 2.439 0.812 0.896 1.000 0.762 CB 1.769 22 residues pruned to eliminate duplicates Z: 63 74.255 2.430 0.606 0.884 0.968 0.726 CB 1.804 63 residues pruned to eliminate duplicates Z: 65 76.235 2.383 0.635 0.890 0.984 0.766 CB 1.788 65 residues pruned to eliminate duplicates Z: 29 49.929 2.294 0.712 0.929 1.000 0.821 CB 1.681 29 residues pruned to eliminate duplicates Z: 30 73.142 2.459 1.115 0.924 1.000 0.793 CB 1.833 30 residues pruned to eliminate duplicates Z: 27 52.082 2.444 0.551 0.942 1.000 1.000 CB 1.869 27 residues pruned to eliminate duplicates Z: 65 72.946 2.369 0.558 0.896 0.984 0.812 CB 1.798 65 residues pruned to eliminate duplicates Z: 64 70.058 2.325 0.573 0.907 1.000 0.810 CB 1.716 64 residues pruned to eliminate duplicates Z: 65 73.210 2.350 0.700 0.885 0.969 0.719 CB 1.707 65 residues pruned to eliminate duplicates Z: 30 52.665 2.276 0.747 0.938 1.000 0.966 CB 1.711 30 residues pruned to eliminate duplicates Z: 30 39.923 2.198 0.548 0.903 0.966 0.724 CB 1.608 30 residues pruned to eliminate duplicates Z: 36 46.028 2.239 0.575 0.880 0.971 0.771 CB 1.646 36 residues pruned to eliminate duplicates Z: 23 56.754 2.405 1.047 0.930 0.955 0.773 CB 1.800 23 residues pruned to eliminate duplicates Z: 22 51.438 2.468 0.877 0.895 1.000 0.810 CB 1.737 22 residues pruned to eliminate duplicates Z: 34 83.282 2.469 1.200 0.959 1.000 0.879 CB 1.829 34 residues pruned to eliminate duplicates Z: 22 45.604 2.431 0.696 0.888 1.000 0.714 CB 1.739 22 residues pruned to eliminate duplicates Z: 33 76.776 2.486 0.998 0.950 1.000 0.844 CB 1.884 33 residues pruned to eliminate duplicates Z: 33 88.293 2.508 1.361 0.956 1.000 0.938 CB 1.809 33 residues pruned to eliminate duplicates Z: 34 82.630 2.439 1.171 0.945 1.000 0.939 CB 1.880 34 residues pruned to eliminate duplicates Z: 34 82.166 2.444 1.195 0.949 1.000 0.848 CB 1.840 34 residues pruned to eliminate duplicates Z: 22 61.111 2.446 1.151 0.937 0.952 0.810 CB 1.851 22 residues pruned to eliminate duplicates Z: 13 26.479 2.030 0.766 0.927 1.000 0.667 CB 1.494 13 residues pruned to eliminate duplicates Z: 22 47.818 2.454 0.837 0.887 0.952 0.810 CB 1.752 22 residues pruned to eliminate duplicates Z: 30 56.973 2.440 0.599 0.922 1.000 0.966 CB 1.906 30 residues pruned to eliminate duplicates Z: 33 73.350 2.491 0.996 0.938 0.969 0.906 CB 1.872 33 residues pruned to eliminate duplicates Z: 34 79.804 2.476 1.163 0.956 1.000 0.909 CB 1.782 34 residues pruned to eliminate duplicates Z: 221 177.597 2.505 1.041 0.822 0.964 0.741 CB 1.839 222 residues pruned to eliminate duplicates Z: 63 80.636 2.366 0.814 0.879 0.952 0.742 CB 1.819 63 residues pruned to eliminate duplicates Z: 29 75.230 2.496 1.318 0.918 0.964 0.679 CB 1.797 29 residues pruned to eliminate duplicates Z: 33 71.277 2.439 0.954 0.955 1.000 0.938 CB 1.816 33 residues pruned to eliminate duplicates Z: 20 74.304 2.622 1.208 0.946 1.000 0.947 CB 2.037 20 residues pruned to eliminate duplicates Z: 22 64.633 2.439 1.107 0.939 0.952 0.905 CA 2.003 22 residues pruned to eliminate duplicates Z: 65 75.623 2.370 0.644 0.904 0.984 0.797 CB 1.755 65 residues pruned to eliminate duplicates Z: 23 44.714 2.563 0.466 0.901 1.000 0.864 CB 1.811 23 residues pruned to eliminate duplicates Z: 33 72.641 2.497 0.991 0.951 1.000 0.906 CB 1.781 33 residues pruned to eliminate duplicates Z: 22 49.576 2.470 0.720 0.896 1.000 0.810 CB 1.824 22 residues pruned to eliminate duplicates Z: 22 50.536 2.463 0.694 0.929 0.952 0.857 CA 1.942 22 residues pruned to eliminate duplicates Z: 33 83.678 2.524 1.213 0.953 1.000 0.969 CB 1.823 33 residues pruned to eliminate duplicates Z: 29 65.780 2.573 1.226 0.835 0.821 0.607 CB 1.980 29 residues pruned to eliminate duplicates Z: 36 49.221 2.430 0.432 0.852 1.000 0.800 CB 1.768 36 residues pruned to eliminate duplicates Z: 31 60.383 2.590 0.561 0.923 1.000 0.933 CB 1.916 31 residues pruned to eliminate duplicates Z: 50 70.704 2.395 0.674 0.904 1.000 0.796 CB 1.795 50 residues pruned to eliminate duplicates Z: 34 86.383 2.449 1.288 0.955 1.000 0.788 CB 1.844 34 residues pruned to eliminate duplicates Z: 12 25.580 2.143 0.590 0.851 1.000 0.727 CB 1.676 12 residues pruned to eliminate duplicates Z: 20 43.590 2.618 0.303 0.935 1.000 0.842 CB 2.044 20 residues pruned to eliminate duplicates Z: 30 72.022 2.425 1.184 0.917 1.000 0.621 CB 1.782 30 residues pruned to eliminate duplicates Z: 63 80.082 2.432 0.700 0.903 0.968 0.823 CB 1.812 63 residues pruned to eliminate duplicates Z: 23 44.952 2.378 0.649 0.866 1.000 0.818 CB 1.789 23 residues pruned to eliminate duplicates Z: 31 55.520 2.314 0.775 0.907 1.000 0.867 CB 1.755 31 residues pruned to eliminate duplicates Z: 23 42.651 2.341 0.729 0.887 0.909 0.773 CB 1.781 23 residues pruned to eliminate duplicates Z: 61 94.123 2.538 0.845 0.916 0.983 0.900 CB 1.865 61 residues pruned to eliminate duplicates Z: 22 32.518 2.318 0.728 0.772 0.762 0.714 CB 1.827 22 residues pruned to eliminate duplicates Z: 14 30.720 2.343 1.026 0.603 1.000 0.538 CB 1.627 14 residues pruned to eliminate duplicates Z: 10 23.123 2.309 0.265 0.910 1.000 1.000 CB 1.871 10 residues pruned to eliminate duplicates Z: 22 44.603 2.412 0.663 0.881 1.000 0.905 CB 1.757 22 residues pruned to eliminate duplicates Z: 23 46.153 2.364 0.645 0.905 1.000 0.909 CB 1.801 23 residues pruned to eliminate duplicates Z: 19 54.018 2.511 1.076 0.788 0.944 0.556 CA 2.008 19 residues pruned to eliminate duplicates Z: 35 82.398 2.459 1.340 0.895 0.971 0.706 CB 1.814 35 residues pruned to eliminate duplicates Z: 12 29.784 2.148 0.945 0.935 1.000 0.727 CB 1.497 12 residues pruned to eliminate duplicates Z: 13 23.961 2.047 0.520 0.932 1.000 0.917 CB 1.553 12 residues pruned to eliminate duplicates Z: 14 36.820 2.357 0.628 0.838 1.000 0.615 CB 1.989 14 residues pruned to eliminate duplicates Z: 33 73.918 2.510 0.875 0.949 1.000 0.906 CB 1.917 33 residues pruned to eliminate duplicates Z: 22 48.424 2.419 0.787 0.867 0.952 0.762 CB 1.877 22 residues pruned to eliminate duplicates Z: 14 41.668 2.520 0.915 0.908 1.000 0.923 CB 1.701 14 residues pruned to eliminate duplicates Z: 119 110.111 2.487 0.833 0.787 0.983 0.763 CB 1.758 119 residues pruned to eliminate duplicates Z: 12 21.607 2.212 0.507 0.872 1.000 0.909 CB 1.424 12 residues pruned to eliminate duplicates Z: 31 45.304 2.344 0.490 0.895 0.967 0.867 CB 1.756 31 residues pruned to eliminate duplicates Z: 22 42.895 2.390 0.695 0.862 1.000 0.857 CB 1.696 22 residues pruned to eliminate duplicates Z: 9 23.629 2.340 1.139 0.866 0.750 0.375 CB 1.629 9 residues pruned to eliminate duplicates Z: 12 26.410 2.180 0.538 0.923 1.000 0.818 CB 1.669 12 residues pruned to eliminate duplicates Z: 33 52.156 2.216 0.795 0.891 0.969 0.688 CB 1.720 33 residues pruned to eliminate duplicates Z: 29 66.354 2.506 1.016 0.917 1.000 0.607 CB 1.751 29 residues pruned to eliminate duplicates Z: 17 33.719 2.106 0.966 0.854 0.875 0.750 CA 1.718 17 residues pruned to eliminate duplicates Z: 63 82.446 2.428 0.722 0.895 1.000 0.823 CB 1.795 63 residues pruned to eliminate duplicates Z: 107 126.030 2.496 1.160 0.812 0.991 0.755 CB 1.747 107 residues pruned to eliminate duplicates Z: 34 43.922 2.219 0.751 0.831 0.909 0.818 CB 1.626 34 residues pruned to eliminate duplicates Z: 65 66.737 2.358 0.561 0.886 0.938 0.812 CB 1.744 65 residues pruned to eliminate duplicates Z: 12 24.176 2.146 0.508 0.908 1.000 0.727 CB 1.600 12 residues pruned to eliminate duplicates Z: 62 83.559 2.446 0.736 0.895 0.984 0.803 CB 1.837 62 residues pruned to eliminate duplicates Z: 63 75.894 2.390 0.650 0.894 0.984 0.742 CB 1.782 63 residues pruned to eliminate duplicates Z: 12 23.305 2.179 0.617 0.910 0.909 0.727 CB 1.556 12 residues pruned to eliminate duplicates Z: 33 85.517 2.496 1.286 0.962 1.000 0.906 CB 1.813 33 residues pruned to eliminate duplicates Z: 123 136.374 2.506 1.171 0.824 0.967 0.779 CB 1.773 123 residues pruned to eliminate duplicates Z: 8 9.136 2.199 0.372 0.420 1.000 0.571 CB 1.244 8 residues pruned to eliminate duplicates Z: 65 79.407 2.355 0.718 0.909 0.969 0.703 CB 1.797 65 residues pruned to eliminate duplicates Z: 22 39.259 2.481 0.465 0.879 0.952 0.762 CB 1.794 22 residues pruned to eliminate duplicates Z: 36 44.998 2.194 0.569 0.849 0.971 0.829 CB 1.686 36 residues pruned to eliminate duplicates Z: 105 120.777 2.495 1.113 0.811 0.981 0.817 CB 1.747 105 residues pruned to eliminate duplicates Z: 31 57.341 2.391 0.853 0.884 0.967 0.833 CB 1.767 31 residues pruned to eliminate duplicates Z: 61 96.350 2.534 0.965 0.907 0.967 0.817 CB 1.837 61 residues pruned to eliminate duplicates Z: 9 4.884 1.562 0.372 0.492 0.750 0.500 CB 1.083 9 residues pruned to eliminate duplicates Z: 36 55.036 2.166 0.852 0.887 1.000 0.771 CB 1.673 36 residues pruned to eliminate duplicates Z: 152 140.569 2.498 0.958 0.844 0.960 0.762 CB 1.812 152 residues pruned to eliminate duplicates Z: 12 29.948 2.053 0.941 0.877 1.000 0.636 CB 1.645 12 residues pruned to eliminate duplicates Z: 17 30.802 2.371 0.625 0.660 1.000 0.812 CB 1.722 17 residues pruned to eliminate duplicates Z: 30 72.062 2.443 1.116 0.924 1.000 0.793 CB 1.818 30 residues pruned to eliminate duplicates Z: 29 64.992 2.417 1.102 0.835 0.893 0.607 CA 2.028 29 residues pruned to eliminate duplicates Z: 62 72.650 2.411 0.617 0.880 0.967 0.705 CB 1.788 62 residues pruned to eliminate duplicates Z: 94 119.816 2.490 1.175 0.829 1.000 0.720 CB 1.726 94 residues pruned to eliminate duplicates Z: 18 60.700 2.580 1.033 0.884 0.941 0.706 CA 2.154 18 residues pruned to eliminate duplicates Z: 29 51.423 2.417 0.534 0.908 1.000 0.857 CB 1.862 29 residues pruned to eliminate duplicates Z: 90 112.480 2.483 1.093 0.813 0.989 0.831 CB 1.766 90 residues pruned to eliminate duplicates Z: 30 48.206 2.220 0.913 0.912 0.966 0.793 CB 1.546 30 residues pruned to eliminate duplicates Z: 108 120.784 2.475 1.096 0.817 0.991 0.738 CB 1.726 108 residues pruned to eliminate duplicates Z: 9 9.109 1.951 0.478 0.714 0.750 0.500 CB 1.227 9 residues pruned to eliminate duplicates Z: 51 59.180 2.352 0.626 0.876 0.920 0.740 CB 1.729 51 residues pruned to eliminate duplicates Z: 130 130.058 2.484 1.074 0.774 0.977 0.698 CB 1.787 130 residues pruned to eliminate duplicates Z: 43 78.452 2.465 1.146 0.811 0.976 0.857 CB 1.788 44 residues pruned to eliminate duplicates Z: 85 84.328 2.407 0.750 0.778 0.952 0.750 CB 1.795 85 residues pruned to eliminate duplicates Z: 22 29.087 2.166 0.481 0.828 0.952 0.714 CB 1.565 22 residues pruned to eliminate duplicates Z: 22 49.742 2.387 0.983 0.900 1.000 0.619 CB 1.639 22 residues pruned to eliminate duplicates Z: 17 29.501 2.222 0.745 0.716 0.875 0.625 CA 1.789 17 residues pruned to eliminate duplicates Z: 194 156.916 2.524 0.864 0.838 0.964 0.782 CB 1.861 194 residues pruned to eliminate duplicates Z: 59 92.162 2.444 1.185 0.819 0.966 0.741 CB 1.779 59 residues pruned to eliminate duplicates Z: 32 69.073 2.436 1.281 0.790 0.968 0.774 CB 1.789 32 residues pruned to eliminate duplicates Z: 13 21.604 2.249 0.703 0.519 1.000 0.667 CB 1.598 13 residues pruned to eliminate duplicates Z: 36 50.191 2.183 0.813 0.888 0.971 0.657 CB 1.590 36 residues pruned to eliminate duplicates Z: 63 73.330 2.389 0.675 0.886 0.984 0.710 CB 1.706 63 residues pruned to eliminate duplicates Z: 64 81.234 2.384 0.762 0.907 0.968 0.762 CB 1.789 64 residues pruned to eliminate duplicates Z: 13 34.357 2.473 0.496 0.913 1.000 0.833 CB 1.897 13 residues pruned to eliminate duplicates Z: 14 31.594 2.148 0.983 0.798 1.000 0.769 CA 1.584 14 residues pruned to eliminate duplicates Z: 11 38.642 2.591 1.029 0.727 0.900 0.600 CA 2.105 11 residues pruned to eliminate duplicates Z: 176 159.022 2.497 1.013 0.828 0.983 0.806 CB 1.833 176 residues pruned to eliminate duplicates Z: 92 111.578 2.480 1.076 0.826 0.978 0.813 CB 1.752 92 residues pruned to eliminate duplicates Z: 59 95.618 2.492 1.161 0.833 0.966 0.793 CB 1.812 59 residues pruned to eliminate duplicates Z: 119 126.017 2.499 0.884 0.824 0.975 0.788 CB 1.910 119 residues pruned to eliminate duplicates Z: 27 58.044 2.469 1.061 0.782 1.000 0.846 CB 1.746 27 residues pruned to eliminate duplicates Z: 165 147.181 2.472 1.027 0.822 0.970 0.787 CB 1.790 165 residues pruned to eliminate duplicates Z: 139 133.238 2.464 1.102 0.802 0.957 0.732 CB 1.759 139 residues pruned to eliminate duplicates Z: 21 41.786 2.436 0.814 0.713 1.000 0.800 CB 1.743 21 residues pruned to eliminate duplicates Z: 84 92.200 2.440 0.888 0.793 0.940 0.735 CB 1.808 84 residues pruned to eliminate duplicates Z: 12 30.528 2.147 0.831 0.904 1.000 0.818 CB 1.668 12 residues pruned to eliminate duplicates Z: 22 50.554 2.424 0.943 0.921 1.000 0.905 CB 1.648 22 residues pruned to eliminate duplicates Z: 8 22.142 2.468 0.643 0.619 1.000 0.571 CB 1.844 8 residues pruned to eliminate duplicates Z: 25 46.305 2.375 0.794 0.755 1.000 0.792 CB 1.767 25 residues pruned to eliminate duplicates Z: 42 56.169 2.277 0.841 0.767 0.927 0.659 CB 1.782 42 residues pruned to eliminate duplicates Z: 92 108.851 2.501 0.865 0.837 0.978 0.703 CB 1.870 92 residues pruned to eliminate duplicates Z: 26 44.172 2.474 0.390 0.939 1.000 0.960 CB 1.785 26 residues pruned to eliminate duplicates Z: 102 114.322 2.499 0.866 0.827 0.980 0.792 CB 1.876 102 residues pruned to eliminate duplicates Z: 12 18.810 2.256 0.606 0.480 1.000 0.636 CB 1.597 12 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 119 124.701 2.495 0.898 0.833 0.958 0.822 CB 1.899 119 residues pruned to eliminate duplicates Z: 220 180.436 2.510 0.999 0.840 0.986 0.785 CB 1.839 221 residues pruned to eliminate duplicates Z: 52 68.751 2.403 0.627 0.898 0.980 0.765 CB 1.797 52 residues pruned to eliminate duplicates Z: 141 136.175 2.525 0.877 0.819 0.971 0.771 CB 1.895 141 residues pruned to eliminate duplicates Z: 220 173.193 2.506 0.934 0.831 0.986 0.808 CB 1.839 220 residues pruned to eliminate duplicates Z: 221 177.266 2.510 0.974 0.834 0.977 0.773 CB 1.850 221 residues pruned to eliminate duplicates Z: 97 115.226 2.513 0.915 0.811 0.979 0.750 CB 1.904 97 residues pruned to eliminate duplicates Z: 57 84.379 2.506 0.841 0.813 0.982 0.839 CB 1.894 57 residues pruned to eliminate duplicates Z: 221 180.702 2.507 1.020 0.827 0.982 0.805 CB 1.847 221 residues pruned to eliminate duplicates Z: 220 171.257 2.490 0.978 0.825 0.968 0.767 CB 1.831 220 residues pruned to eliminate duplicates Z: 141 139.473 2.527 0.922 0.831 0.964 0.793 CB 1.890 141 residues pruned to eliminate duplicates Z: 138 141.204 2.530 0.956 0.817 0.971 0.759 CB 1.907 138 residues pruned to eliminate duplicates Z: 142 135.471 2.503 0.852 0.826 0.986 0.794 CB 1.883 142 residues pruned to eliminate duplicates Z: 58 76.596 2.471 0.832 0.778 0.965 0.789 CB 1.818 58 residues pruned to eliminate duplicates Z: 56 72.569 2.477 0.778 0.747 0.927 0.782 CB 1.922 56 residues pruned to eliminate duplicates Z: 185 159.234 2.495 0.980 0.823 0.984 0.750 CB 1.826 185 residues pruned to eliminate duplicates Z: 104 118.236 2.500 0.947 0.824 0.951 0.767 CB 1.900 104 residues pruned to eliminate duplicates Z: 221 174.926 2.501 0.970 0.818 0.982 0.782 CB 1.851 221 residues pruned to eliminate duplicates Z: 141 138.626 2.511 0.912 0.810 0.986 0.757 CB 1.890 141 residues pruned to eliminate duplicates Z: 45 79.219 2.513 1.046 0.785 0.955 0.841 CB 1.894 45 residues pruned to eliminate duplicates Z: 46 72.257 2.507 0.852 0.775 0.978 0.822 CB 1.861 46 residues pruned to eliminate duplicates Z: 45 74.095 2.483 1.010 0.767 0.977 0.864 CB 1.807 45 residues pruned to eliminate duplicates Z: 142 137.229 2.529 0.871 0.833 0.965 0.823 CB 1.900 142 residues pruned to eliminate duplicates Z: 44 77.533 2.509 1.059 0.792 0.953 0.907 CB 1.857 44 residues pruned to eliminate duplicates Z: 56 68.805 2.438 0.871 0.745 0.927 0.782 CB 1.761 56 residues pruned to eliminate duplicates Z: 10 24.009 2.420 0.493 0.675 1.000 0.667 CB 1.887 10 residues pruned to eliminate duplicates Z: 129 117.654 2.507 0.853 0.786 0.961 0.773 CB 1.811 55 residues pruned to eliminate duplicates Z: 8 5.133 1.671 0.564 0.225 0.857 0.429 N 1.194 8 residues pruned to eliminate duplicates Z: 137 127.403 2.503 0.942 0.789 0.949 0.721 CB 1.838 110 residues pruned to eliminate duplicates Z: 37 71.973 2.427 0.920 0.880 1.000 0.889 CB 1.865 37 residues pruned to eliminate duplicates Z: 219 172.891 2.532 0.866 0.840 0.986 0.757 CB 1.875 134 residues pruned to eliminate duplicates Z: 28 68.796 2.535 0.834 0.929 1.000 0.889 CB 1.993 28 residues pruned to eliminate duplicates Z: 173 148.737 2.514 0.906 0.819 0.977 0.785 CB 1.837 173 residues pruned to eliminate duplicates Z: 110 108.553 2.470 0.904 0.793 0.963 0.789 CB 1.775 110 residues pruned to eliminate duplicates Z: 217 164.472 2.513 0.931 0.807 0.963 0.759 CB 1.833 217 residues pruned to eliminate duplicates Z: 107 114.498 2.508 0.945 0.803 0.972 0.764 CB 1.800 107 residues pruned to eliminate duplicates Z: 153 134.260 2.490 0.854 0.821 0.980 0.783 CB 1.822 153 residues pruned to eliminate duplicates Z: 56 84.364 2.503 0.904 0.828 0.964 0.800 CB 1.864 56 residues pruned to eliminate duplicates Z: 104 113.981 2.517 0.923 0.815 0.971 0.786 CB 1.817 104 residues pruned to eliminate duplicates Z: 221 164.068 2.506 0.930 0.817 0.941 0.736 CB 1.846 221 residues pruned to eliminate duplicates Z: 153 131.594 2.488 0.894 0.829 0.941 0.757 CB 1.811 153 residues pruned to eliminate duplicates Z: 217 163.731 2.512 0.881 0.820 0.972 0.778 CB 1.838 217 residues pruned to eliminate duplicates Z: 152 141.199 2.511 0.931 0.845 0.967 0.801 CB 1.822 152 residues pruned to eliminate duplicates Z: 220 166.660 2.513 0.908 0.834 0.959 0.790 CB 1.836 220 residues pruned to eliminate duplicates Z: 109 112.194 2.496 0.958 0.791 0.963 0.759 CB 1.776 109 residues pruned to eliminate duplicates Z: 153 139.741 2.505 0.957 0.831 0.954 0.783 CB 1.821 153 residues pruned to eliminate duplicates Z: 153 136.925 2.492 0.884 0.828 0.974 0.796 CB 1.830 153 residues pruned to eliminate duplicates Z: 221 172.837 2.516 0.933 0.835 0.977 0.759 CB 1.836 221 residues pruned to eliminate duplicates Z: 75 84.769 2.465 0.771 0.808 0.973 0.811 CB 1.775 75 residues pruned to eliminate duplicates Z: 157 133.010 2.476 0.870 0.815 0.968 0.763 CB 1.807 157 residues pruned to eliminate duplicates Z: 174 147.643 2.503 0.887 0.839 0.977 0.723 CB 1.817 174 residues pruned to eliminate duplicates Z: 208 164.537 2.517 0.880 0.829 0.976 0.792 CB 1.863 208 residues pruned to eliminate duplicates Z: 217 167.870 2.517 0.911 0.826 0.972 0.782 CB 1.842 217 residues pruned to eliminate duplicates Z: 54 86.499 2.495 0.975 0.814 1.000 0.830 CB 1.835 54 residues pruned to eliminate duplicates Z: 107 116.839 2.510 0.980 0.808 0.972 0.802 CB 1.797 107 residues pruned to eliminate duplicates Z: 152 143.787 2.506 1.001 0.837 0.960 0.762 CB 1.817 152 residues pruned to eliminate duplicates Z: 221 171.626 2.516 0.913 0.834 0.977 0.773 CB 1.843 221 residues pruned to eliminate duplicates Z: 220 172.209 2.526 0.933 0.835 0.959 0.726 CB 1.862 220 residues pruned to eliminate duplicates Z: 109 116.754 2.490 0.998 0.798 0.981 0.769 CB 1.773 109 residues pruned to eliminate duplicates Z: 107 112.750 2.493 0.976 0.807 0.972 0.755 CB 1.751 107 residues pruned to eliminate duplicates Z: 154 141.464 2.486 1.005 0.830 0.967 0.732 CB 1.782 154 residues pruned to eliminate duplicates Z: 221 167.764 2.506 0.964 0.817 0.950 0.768 CB 1.837 221 residues pruned to eliminate duplicates Z: 106 116.117 2.508 0.972 0.816 0.971 0.781 CB 1.792 106 residues pruned to eliminate duplicates Z: 220 165.118 2.508 0.903 0.817 0.963 0.781 CB 1.843 220 residues pruned to eliminate duplicates Z: 106 117.750 2.508 0.987 0.814 1.000 0.771 CB 1.756 106 residues pruned to eliminate duplicates Z: 108 113.019 2.493 0.970 0.794 0.963 0.748 CB 1.787 108 residues pruned to eliminate duplicates Z: 222 169.662 2.500 0.957 0.822 0.964 0.760 CB 1.829 222 residues pruned to eliminate duplicates Z: 221 168.759 2.513 0.904 0.833 0.973 0.773 CB 1.834 221 residues pruned to eliminate duplicates Z: 215 170.865 2.493 1.002 0.815 0.977 0.748 CB 1.822 215 residues pruned to eliminate duplicates Z: 210 165.362 2.505 0.940 0.827 0.962 0.794 CB 1.845 210 residues pruned to eliminate duplicates Z: 106 118.256 2.512 0.975 0.815 0.990 0.752 CB 1.786 106 residues pruned to eliminate duplicates Z: 220 176.765 2.515 0.970 0.837 0.982 0.776 CB 1.838 220 residues pruned to eliminate duplicates Z: 156 136.554 2.466 0.978 0.813 0.955 0.742 CB 1.794 156 residues pruned to eliminate duplicates Z: 220 177.535 2.518 1.002 0.839 0.968 0.744 CB 1.836 220 residues pruned to eliminate duplicates Z: 107 116.192 2.499 1.079 0.805 0.962 0.708 CB 1.731 107 residues pruned to eliminate duplicates Z: 108 120.150 2.482 1.092 0.806 0.972 0.757 CB 1.761 108 residues pruned to eliminate duplicates Z: 219 177.616 2.517 0.967 0.830 0.986 0.766 CB 1.853 219 residues pruned to eliminate duplicates Z: 220 178.784 2.512 0.994 0.837 0.982 0.753 CB 1.837 220 residues pruned to eliminate duplicates Z: 108 117.950 2.479 1.064 0.802 0.981 0.766 CB 1.744 108 residues pruned to eliminate duplicates Z: 149 136.327 2.467 1.097 0.799 0.953 0.743 CB 1.750 149 residues pruned to eliminate duplicates Z: 208 172.924 2.522 0.982 0.833 0.976 0.754 CB 1.848 208 residues pruned to eliminate duplicates Z: 104 124.790 2.522 1.154 0.815 0.971 0.796 CB 1.774 104 residues pruned to eliminate duplicates Z: 220 171.413 2.510 0.967 0.816 0.963 0.799 CB 1.851 220 residues pruned to eliminate duplicates Z: 82 105.756 2.484 1.138 0.810 0.963 0.741 CB 1.754 82 residues pruned to eliminate duplicates Z: 152 155.969 2.511 1.098 0.845 0.987 0.735 CB 1.815 152 residues pruned to eliminate duplicates Z: 220 171.515 2.502 0.968 0.823 0.968 0.785 CB 1.839 220 residues pruned to eliminate duplicates Z: 107 124.639 2.498 1.090 0.808 1.000 0.783 CB 1.773 107 residues pruned to eliminate duplicates Z: 159 143.163 2.447 1.033 0.816 0.975 0.709 CB 1.785 159 residues pruned to eliminate duplicates Z: 105 120.367 2.521 1.065 0.827 0.971 0.788 CB 1.760 105 residues pruned to eliminate duplicates Z: 221 175.440 2.507 0.996 0.821 0.977 0.773 CB 1.830 221 residues pruned to eliminate duplicates Z: 157 134.601 2.440 1.043 0.790 0.962 0.692 CB 1.743 157 residues pruned to eliminate duplicates Z: 105 124.913 2.517 1.116 0.823 0.981 0.808 CB 1.772 105 residues pruned to eliminate duplicates Z: 109 116.924 2.471 1.074 0.796 0.981 0.750 CB 1.726 109 residues pruned to eliminate duplicates Z: 158 146.727 2.491 1.046 0.828 0.968 0.739 CB 1.787 158 residues pruned to eliminate duplicates Z: 103 124.886 2.516 1.132 0.828 0.990 0.784 CB 1.754 103 residues pruned to eliminate duplicates Z: 125 129.466 2.494 1.073 0.802 0.968 0.774 CB 1.785 125 residues pruned to eliminate duplicates Z: 156 135.918 2.445 1.038 0.788 0.961 0.703 CB 1.770 156 residues pruned to eliminate duplicates Z: 44 64.867 2.410 0.968 0.729 0.930 0.721 CB 1.824 44 residues pruned to eliminate duplicates Z: 222 182.172 2.497 1.034 0.839 0.982 0.774 CB 1.834 222 residues pruned to eliminate duplicates Z: 211 173.884 2.510 0.980 0.830 0.976 0.767 CB 1.860 211 residues pruned to eliminate duplicates Z: 108 126.199 2.516 1.100 0.806 0.991 0.748 CB 1.785 108 residues pruned to eliminate duplicates Z: 219 170.717 2.491 0.989 0.821 0.972 0.807 CB 1.816 219 residues pruned to eliminate duplicates Z: 107 122.435 2.510 1.116 0.818 0.962 0.774 CB 1.766 107 residues pruned to eliminate duplicates Z: 221 177.181 2.509 1.003 0.829 0.977 0.723 CB 1.830 221 residues pruned to eliminate duplicates Z: 142 134.949 2.519 0.888 0.825 0.957 0.773 CB 1.884 142 residues pruned to eliminate duplicates Z: 107 126.284 2.514 1.121 0.819 0.972 0.802 CB 1.795 107 residues pruned to eliminate duplicates Z: 176 152.869 2.485 1.021 0.822 0.960 0.714 CB 1.814 176 residues pruned to eliminate duplicates Z: 24 63.178 2.594 1.144 0.796 1.000 0.739 CB 1.827 24 residues pruned to eliminate duplicates Z: 218 168.033 2.486 0.997 0.814 0.968 0.770 CB 1.807 218 residues pruned to eliminate duplicates Z: 157 146.939 2.485 1.027 0.836 0.968 0.699 CB 1.807 157 residues pruned to eliminate duplicates Z: 221 179.929 2.505 0.991 0.830 0.986 0.791 CB 1.854 221 residues pruned to eliminate duplicates Z: 177 158.904 2.490 1.021 0.846 0.977 0.733 CB 1.809 177 residues pruned to eliminate duplicates Z: 44 87.110 2.628 1.215 0.817 0.884 0.651 CB 1.960 44 residues pruned to eliminate duplicates Z: 107 124.221 2.467 1.135 0.804 0.981 0.821 CB 1.790 107 residues pruned to eliminate duplicates Z: 116 119.243 2.477 1.061 0.791 0.957 0.739 CB 1.763 116 residues pruned to eliminate duplicates Z: 110 122.823 2.482 1.124 0.817 0.972 0.706 CB 1.742 110 residues pruned to eliminate duplicates Z: 107 125.452 2.487 1.131 0.818 0.991 0.802 CB 1.762 107 residues pruned to eliminate duplicates Z: 107 111.786 2.482 0.816 0.832 0.962 0.726 CB 1.880 107 residues pruned to eliminate duplicates Z: 76 99.438 2.491 0.962 0.829 0.960 0.680 CB 1.841 76 residues pruned to eliminate duplicates Z: 105 124.302 2.517 1.131 0.829 0.971 0.788 CB 1.761 105 residues pruned to eliminate duplicates Z: 151 148.860 2.504 1.054 0.830 0.980 0.793 CB 1.813 151 residues pruned to eliminate duplicates Z: 71 94.367 2.485 0.961 0.812 0.957 0.686 CB 1.843 71 residues pruned to eliminate duplicates Z: 152 158.582 2.509 1.128 0.847 0.993 0.722 CB 1.806 152 residues pruned to eliminate duplicates Z: 12 43.034 2.517 0.838 0.918 0.909 0.909 CA 2.176 12 residues pruned to eliminate duplicates Z: 107 127.675 2.502 1.152 0.819 0.991 0.764 CB 1.763 107 residues pruned to eliminate duplicates Z: 42 92.320 2.611 1.214 0.840 0.951 0.707 CB 1.957 42 residues pruned to eliminate duplicates Z: 220 178.718 2.512 0.995 0.834 0.977 0.753 CB 1.850 220 residues pruned to eliminate duplicates Z: 220 179.484 2.519 0.984 0.838 0.977 0.776 CB 1.855 220 residues pruned to eliminate duplicates Z: 150 153.336 2.508 1.097 0.843 0.987 0.758 CB 1.802 150 residues pruned to eliminate duplicates Z: 220 179.756 2.514 1.005 0.835 0.977 0.753 CB 1.848 220 residues pruned to eliminate duplicates Z: 28 67.146 2.482 1.068 0.872 0.926 0.630 CA 1.981 28 residues pruned to eliminate duplicates Z: 141 142.355 2.539 0.933 0.838 0.964 0.693 CB 1.901 140 residues pruned to eliminate duplicates Z: 16 58.669 2.547 1.275 0.890 0.933 0.733 CA 2.015 16 residues pruned to eliminate duplicates Z: 128 133.811 2.537 1.001 0.802 0.945 0.764 CB 1.902 128 residues pruned to eliminate duplicates Z: 73 88.815 2.469 0.828 0.812 0.931 0.708 CB 1.899 73 residues pruned to eliminate duplicates Z: 219 180.312 2.518 1.013 0.837 0.972 0.794 CB 1.852 219 residues pruned to eliminate duplicates Z: 22 60.884 2.647 1.066 0.832 0.905 0.619 CA 2.016 22 residues pruned to eliminate duplicates Z: 220 180.660 2.512 1.026 0.827 0.982 0.753 CB 1.841 220 residues pruned to eliminate duplicates Z: 219 186.385 2.530 1.039 0.839 0.982 0.761 CB 1.862 219 residues pruned to eliminate duplicates Z: 19 62.153 2.594 1.327 0.826 0.889 0.778 CA 2.060 19 residues pruned to eliminate duplicates Z: 156 146.861 2.459 1.076 0.820 0.987 0.723 CB 1.772 156 residues pruned to eliminate duplicates Z: 220 182.575 2.522 1.015 0.841 0.982 0.781 CB 1.844 220 residues pruned to eliminate duplicates Z: 53 91.430 2.534 1.159 0.734 0.962 0.635 CB 1.953 53 residues pruned to eliminate duplicates Z: 120 124.886 2.500 0.839 0.832 0.983 0.723 CB 1.902 120 residues pruned to eliminate duplicates Z: 152 152.323 2.500 1.046 0.847 0.993 0.781 CB 1.811 152 residues pruned to eliminate duplicates Z: 205 166.391 2.490 0.974 0.827 0.961 0.745 CB 1.858 205 residues pruned to eliminate duplicates Z: 221 171.647 2.479 0.988 0.824 0.964 0.777 CB 1.841 221 residues pruned to eliminate duplicates Z: 153 148.179 2.495 1.022 0.836 0.993 0.711 CB 1.795 153 residues pruned to eliminate duplicates Z: 208 165.800 2.508 0.970 0.820 0.961 0.749 CB 1.837 208 residues pruned to eliminate duplicates Z: 154 144.573 2.481 1.041 0.816 0.974 0.745 CB 1.801 154 residues pruned to eliminate duplicates Z: 153 146.429 2.480 1.061 0.823 0.980 0.750 CB 1.792 153 residues pruned to eliminate duplicates Z: 101 106.951 2.478 0.774 0.831 0.980 0.710 CB 1.866 101 residues pruned to eliminate duplicates Z: 66 98.289 2.538 0.969 0.799 0.985 0.769 CB 1.907 66 residues pruned to eliminate duplicates Z: 141 130.939 2.519 0.893 0.802 0.950 0.764 CB 1.877 141 residues pruned to eliminate duplicates Z: 35 55.577 2.358 0.710 0.863 1.000 0.735 CB 1.735 35 residues pruned to eliminate duplicates Z: 221 179.987 2.509 0.970 0.836 0.986 0.773 CB 1.864 221 residues pruned to eliminate duplicates Z: 43 56.995 2.257 0.827 0.875 0.929 0.690 CB 1.671 43 residues pruned to eliminate duplicates Z: 221 174.914 2.497 1.012 0.818 0.973 0.741 CB 1.831 221 residues pruned to eliminate duplicates Z: 78 96.527 2.455 0.947 0.779 0.974 0.688 CB 1.847 78 residues pruned to eliminate duplicates Z: 49 77.416 2.446 0.844 0.851 0.979 0.729 CB 1.873 49 residues pruned to eliminate duplicates Z: 217 181.363 2.523 0.991 0.834 0.986 0.787 CB 1.867 217 residues pruned to eliminate duplicates Z: 141 141.828 2.521 0.936 0.828 0.979 0.764 CB 1.890 141 residues pruned to eliminate duplicates Z: 220 177.393 2.513 0.980 0.821 0.986 0.772 CB 1.850 220 residues pruned to eliminate duplicates Z: 115 127.859 2.513 0.910 0.841 0.974 0.754 CB 1.912 115 residues pruned to eliminate duplicates Z: 155 145.606 2.484 1.008 0.832 0.981 0.786 CB 1.801 155 residues pruned to eliminate duplicates Z: 140 138.875 2.527 0.944 0.825 0.957 0.813 CB 1.892 140 residues pruned to eliminate duplicates Z: 75 100.891 2.497 0.993 0.795 0.973 0.689 CB 1.871 75 residues pruned to eliminate duplicates Z: 221 180.328 2.507 1.011 0.827 0.982 0.764 CB 1.851 221 residues pruned to eliminate duplicates Z: 71 99.450 2.463 1.109 0.819 0.957 0.686 CB 1.813 71 residues pruned to eliminate duplicates Z: 51 76.998 2.408 0.952 0.805 0.940 0.760 CB 1.889 51 residues pruned to eliminate duplicates Z: 118 125.297 2.512 0.860 0.828 0.983 0.761 CB 1.899 118 residues pruned to eliminate duplicates Z: 139 136.877 2.511 0.938 0.821 0.964 0.754 CB 1.880 139 residues pruned to eliminate duplicates Z: 154 152.182 2.476 1.062 0.835 1.000 0.765 CB 1.805 154 residues pruned to eliminate duplicates Z: 174 156.512 2.501 1.005 0.826 0.983 0.775 CB 1.821 174 residues pruned to eliminate duplicates Z: 142 141.543 2.531 0.887 0.835 0.979 0.752 CB 1.909 142 residues pruned to eliminate duplicates Z: 136 136.475 2.493 0.985 0.817 0.970 0.756 CB 1.857 136 residues pruned to eliminate duplicates Z: 115 124.883 2.497 0.868 0.842 0.982 0.816 CB 1.903 115 residues pruned to eliminate duplicates Z: 219 177.979 2.493 1.016 0.820 0.986 0.789 CB 1.843 219 residues pruned to eliminate duplicates Z: 70 82.950 2.426 0.684 0.822 0.986 0.667 CB 1.876 70 residues pruned to eliminate duplicates Z: 127 124.178 2.511 0.816 0.825 0.960 0.802 CB 1.906 127 residues pruned to eliminate duplicates Z: 44 77.109 2.505 1.093 0.787 0.953 0.721 CB 1.828 44 residues pruned to eliminate duplicates Z: 105 123.099 2.529 0.865 0.853 0.971 0.817 CB 1.948 105 residues pruned to eliminate duplicates Z: 57 87.642 2.522 0.927 0.819 0.964 0.875 CB 1.894 57 residues pruned to eliminate duplicates Z: 221 177.652 2.501 0.998 0.821 0.982 0.782 CB 1.848 221 residues pruned to eliminate duplicates Z: 46 72.006 2.444 1.065 0.761 0.933 0.800 CB 1.807 46 residues pruned to eliminate duplicates Z: 53 80.557 2.506 0.983 0.793 0.942 0.788 CB 1.845 53 residues pruned to eliminate duplicates Z: 221 175.884 2.503 0.963 0.825 0.986 0.800 CB 1.846 221 residues pruned to eliminate duplicates Z: 48 71.346 2.473 1.025 0.752 0.936 0.830 CB 1.773 48 residues pruned to eliminate duplicates Z: 44 74.820 2.491 1.105 0.776 0.930 0.767 CB 1.833 44 residues pruned to eliminate duplicates Z: 128 139.180 2.549 0.927 0.826 0.984 0.740 CB 1.927 128 residues pruned to eliminate duplicates Z: 47 70.686 2.432 1.043 0.750 0.957 0.826 CB 1.755 47 residues pruned to eliminate duplicates Z: 54 94.321 2.590 0.988 0.831 0.962 0.792 CB 1.965 54 residues pruned to eliminate duplicates Z: 55 71.360 2.477 0.879 0.748 0.926 0.833 CB 1.805 55 residues pruned to eliminate duplicates Z: 53 82.478 2.511 0.999 0.799 0.942 0.808 CB 1.862 53 residues pruned to eliminate duplicates Z: 219 166.233 2.461 0.985 0.809 0.977 0.771 CB 1.802 219 residues pruned to eliminate duplicates Z: 206 174.544 2.493 1.050 0.823 0.985 0.746 CB 1.830 206 residues pruned to eliminate duplicates Z: 62 80.263 2.405 0.955 0.747 0.984 0.803 CB 1.782 62 residues pruned to eliminate duplicates Z: 43 78.313 2.508 1.072 0.787 0.952 0.762 CB 1.898 43 residues pruned to eliminate duplicates Z: 56 69.653 2.412 0.876 0.750 0.927 0.800 CB 1.790 56 residues pruned to eliminate duplicates Z: 219 183.663 2.521 1.024 0.842 0.986 0.784 CB 1.842 220 residues pruned to eliminate duplicates Z: 11 31.614 2.230 0.915 0.874 1.000 0.800 CB 1.704 10 residues pruned to eliminate duplicates Z: 12 22.670 2.166 0.605 0.871 0.909 0.727 CB 1.577 12 residues pruned to eliminate duplicates Z: 55 76.584 2.400 1.058 0.755 0.944 0.759 CB 1.780 55 residues pruned to eliminate duplicates Z: 57 88.862 2.501 1.071 0.790 0.946 0.768 CB 1.878 57 residues pruned to eliminate duplicates Z: 14 27.120 2.165 0.917 0.765 0.846 0.692 CB 1.693 14 residues pruned to eliminate duplicates Z: 55 82.149 2.459 0.989 0.773 0.981 0.704 CB 1.830 55 residues pruned to eliminate duplicates Z: 14 28.823 2.173 0.971 0.696 0.923 0.769 CB 1.690 14 residues pruned to eliminate duplicates Z: 137 133.562 2.494 0.913 0.822 0.978 0.713 CB 1.856 137 residues pruned to eliminate duplicates Z: 60 80.469 2.457 1.029 0.773 0.915 0.763 CB 1.803 60 residues pruned to eliminate duplicates Z: 57 82.818 2.479 0.993 0.773 0.964 0.821 CB 1.825 57 residues pruned to eliminate duplicates 219 residues left after pruning, divided into chains as follows: A: 186 B: 33 CC for partial structure against native data = 43.94 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.661, Connect. = 0.806 for dens.mod. cycle 1 = 0.300, Contrast = 0.744, Connect. = 0.827 for dens.mod. cycle 2 = 0.300, Contrast = 0.930, Connect. = 0.853 for dens.mod. cycle 3 = 0.300, Contrast = 0.947, Connect. = 0.855 for dens.mod. cycle 4 = 0.300, Contrast = 0.966, Connect. = 0.857 for dens.mod. cycle 5 = 0.300, Contrast = 0.972, Connect. = 0.858 for dens.mod. cycle 6 = 0.300, Contrast = 0.979, Connect. = 0.859 for dens.mod. cycle 7 = 0.300, Contrast = 0.981, Connect. = 0.859 for dens.mod. cycle 8 = 0.300, Contrast = 0.984, Connect. = 0.860 for dens.mod. cycle 9 = 0.300, Contrast = 0.985, Connect. = 0.860 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 3.71 - 2.92 - 2.54 - 2.30 - 2.14 - 2.01 - 1.90 - 1.82 - 1.75 - 1.69 0.773 0.784 0.796 0.800 0.783 0.742 0.693 0.640 0.587 0.548 0.901 0.906 0.904 0.891 0.874 0.831 0.765 0.692 0.628 0.583 N 4100 4144 4150 4187 3908 4164 4431 3950 4055 3869 Estimated mean FOM = 0.716 Pseudo-free CC = 73.01 % Best trace (cycle 1 with CC 44.59%) was saved as ./2oc5-1.7-parrot-noncs/2oc5-1.7-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.9 - Setup, data input and phasing 7.0 - FFTs and peak-searches 27.5 - Sphere of influence 0.5 - Rest of density modification 0.0 - Alpha-helix search 768.2 - Tripeptide search 17900.2 - Chain tracing 0.0 - NCS analysis 23.1 - B-value refinement for trace 0.4 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 02:57:07 Total time: 18727.91 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 313.5 Used memory is bytes: 4040432