null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 14:43:02 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-hancs/2oc5-1.7-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2oc5-1.7-parrot-hancs/2oc5-1.7-parrot-hancs.ins Phases from ./2oc5-1.7-parrot-hancs/2oc5-1.7-parrot-hancs.phi Native data from ./2oc5-1.7-parrot-hancs/2oc5-1.7-parrot-hancs.hkl Listing output to ./2oc5-1.7-parrot-hancs/2oc5-1.7-parrot-hancs.lst Phases output to ./2oc5-1.7-parrot-hancs/2oc5-1.7-parrot-hancs.phs Poly-Ala trace output to ./2oc5-1.7-parrot-hancs/2oc5-1.7-parrot-hancs.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-hancs/2oc5-1.7-parrot-hancs.phi 40958 Reflections read from file ./2oc5-1.7-parrot-hancs/2oc5-1.7-parrot-hancs.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 ?? ** = 0.300, Contrast = 0.332, Connect. = 0.710 for dens.mod. cycle 1 = 0.300, Contrast = 0.505, Connect. = 0.763 for dens.mod. cycle 2 = 0.300, Contrast = 0.829, Connect. = 0.825 for dens.mod. cycle 3 = 0.300, Contrast = 0.908, Connect. = 0.838 for dens.mod. cycle 4 = 0.300, Contrast = 0.938, Connect. = 0.845 for dens.mod. cycle 5 = 0.300, Contrast = 0.952, Connect. = 0.849 for dens.mod. cycle 6 = 0.300, Contrast = 0.961, Connect. = 0.852 for dens.mod. cycle 7 = 0.300, Contrast = 0.965, Connect. = 0.854 for dens.mod. cycle 8 = 0.300, Contrast = 0.969, Connect. = 0.855 for dens.mod. cycle 9 = 0.300, Contrast = 0.971, Connect. = 0.856 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1414 peaks > 0.5 sigma used to seed fragment search Space for about 385 unique residues taking solvent into account 293 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 53.512 2.421 1.027 0.900 1.000 0.857 CB 1.699 B: 65 76.326 2.206 1.019 0.879 0.969 0.719 CB 1.604 C: 64 75.940 2.273 0.885 0.900 0.968 0.746 CB 1.647 65 residues pruned to eliminate duplicates D: 29 69.125 2.422 1.248 0.922 1.000 0.857 CB 1.687 E: 24 52.569 2.350 1.175 0.776 0.913 0.652 CA 1.841 F: 13 41.852 2.345 1.336 0.899 0.917 0.583 CA 1.720 9 residues pruned to eliminate duplicates G: 28 74.402 2.576 1.317 0.844 0.889 0.593 CB 2.007 28 residues pruned to eliminate duplicates H: 18 54.210 2.484 1.028 0.862 1.000 0.824 CB 1.916 18 residues pruned to eliminate duplicates I: 23 62.233 2.300 1.241 0.924 1.000 0.864 CA 1.807 J: 33 81.603 2.443 1.354 0.959 1.000 0.938 CB 1.719 K: 33 81.323 2.451 1.326 0.957 1.000 0.875 CB 1.731 32 residues pruned to eliminate duplicates L: 35 59.439 2.439 0.850 0.848 0.941 0.647 CB 1.782 35 residues pruned to eliminate duplicates M: 28 54.599 2.440 1.032 0.867 0.889 0.630 CB 1.744 28 residues pruned to eliminate duplicates N: 23 61.528 2.284 1.289 0.921 1.000 0.864 CB 1.766 23 residues pruned to eliminate duplicates O: 31 61.820 2.295 1.302 0.896 0.967 0.867 CB 1.583 30 residues pruned to eliminate duplicates P: 35 63.892 2.442 0.791 0.886 1.000 0.765 CB 1.807 35 residues pruned to eliminate duplicates Q: 22 68.046 2.364 1.498 0.941 0.952 0.905 CA 1.833 23 residues pruned to eliminate duplicates R: 27 50.194 2.412 0.926 0.819 0.846 0.654 CB 1.898 27 residues pruned to eliminate duplicates S: 29 76.862 2.499 1.347 0.861 1.000 0.679 CB 1.820 29 residues pruned to eliminate duplicates T: 64 80.801 2.281 0.979 0.881 0.968 0.730 CB 1.687 63 residues pruned to eliminate duplicates U: 29 64.239 2.352 1.106 0.877 0.929 0.714 CB 1.917 29 residues pruned to eliminate duplicates V: 32 62.384 2.419 0.885 0.875 0.968 0.774 CB 1.847 33 residues pruned to eliminate duplicates W: 22 47.309 2.375 0.851 0.912 1.000 0.952 CB 1.664 22 residues pruned to eliminate duplicates X: 29 86.670 2.512 1.497 0.877 1.000 0.357 CB 1.896 28 residues pruned to eliminate duplicates Y: 35 72.048 2.455 1.023 0.885 1.000 0.706 CB 1.797 35 residues pruned to eliminate duplicates Z: 49 71.201 2.278 0.983 0.884 0.979 0.792 CB 1.678 49 residues pruned to eliminate duplicates Z: 27 54.014 2.389 0.781 0.939 1.000 0.962 CB 1.730 27 residues pruned to eliminate duplicates Z: 22 66.762 2.373 1.515 0.945 0.952 0.952 CB 1.773 22 residues pruned to eliminate duplicates Z: 46 65.248 2.223 1.012 0.885 0.956 0.778 CB 1.643 46 residues pruned to eliminate duplicates Z: 17 47.291 2.461 1.160 0.906 0.875 0.750 CB 1.809 17 residues pruned to eliminate duplicates Z: 35 63.516 2.422 0.946 0.865 1.000 0.765 CB 1.693 35 residues pruned to eliminate duplicates Z: 17 50.444 2.477 0.936 0.885 1.000 0.812 CB 1.899 17 residues pruned to eliminate duplicates Z: 19 60.070 2.458 1.279 0.834 1.000 0.667 CB 1.895 19 residues pruned to eliminate duplicates Z: 30 49.629 2.365 0.751 0.898 1.000 0.862 CB 1.591 30 residues pruned to eliminate duplicates Z: 27 53.124 2.382 0.854 0.952 0.962 0.885 CB 1.690 27 residues pruned to eliminate duplicates Z: 22 58.493 2.349 1.188 0.907 0.952 0.857 CB 1.853 22 residues pruned to eliminate duplicates Z: 27 59.943 2.409 0.974 0.944 1.000 0.962 CB 1.712 27 residues pruned to eliminate duplicates Z: 32 87.589 2.495 1.511 0.968 1.000 0.935 CB 1.712 33 residues pruned to eliminate duplicates Z: 14 44.131 2.328 1.170 0.893 0.923 0.615 CA 1.884 14 residues pruned to eliminate duplicates Z: 12 41.506 2.456 1.052 0.918 0.909 0.545 CA 1.926 12 residues pruned to eliminate duplicates Z: 21 49.645 2.411 0.884 0.918 1.000 0.900 CB 1.724 21 residues pruned to eliminate duplicates Z: 22 53.725 2.421 1.010 0.904 1.000 1.000 CB 1.716 22 residues pruned to eliminate duplicates Z: 27 61.611 2.396 1.180 0.957 1.000 0.885 CB 1.588 27 residues pruned to eliminate duplicates Z: 28 65.813 2.471 1.111 0.932 1.000 0.815 CB 1.696 28 residues pruned to eliminate duplicates Z: 33 88.450 2.439 1.547 0.959 1.000 0.875 CB 1.726 33 residues pruned to eliminate duplicates Z: 27 51.985 2.366 0.838 0.932 0.962 0.846 CB 1.703 27 residues pruned to eliminate duplicates Z: 25 54.435 2.413 0.877 0.854 0.958 0.667 CB 1.891 25 residues pruned to eliminate duplicates Z: 22 62.786 2.342 1.384 0.930 0.952 0.905 CB 1.802 22 residues pruned to eliminate duplicates Z: 32 85.625 2.493 1.421 0.965 1.000 0.935 CB 1.739 32 residues pruned to eliminate duplicates Z: 33 79.506 2.441 1.289 0.960 1.000 0.938 CB 1.723 33 residues pruned to eliminate duplicates Z: 33 87.150 2.433 1.544 0.960 1.000 0.844 CB 1.704 33 residues pruned to eliminate duplicates Z: 32 80.606 2.413 1.493 0.960 0.968 0.839 CB 1.704 32 residues pruned to eliminate duplicates Z: 28 56.440 2.462 0.821 0.914 1.000 0.852 CB 1.713 28 residues pruned to eliminate duplicates Z: 33 88.553 2.441 1.588 0.967 1.000 0.906 CB 1.689 33 residues pruned to eliminate duplicates Z: 33 38.578 2.003 0.865 0.872 0.906 0.625 CB 1.469 33 residues pruned to eliminate duplicates Z: 22 70.233 2.357 1.526 0.931 0.952 0.905 CB 1.888 22 residues pruned to eliminate duplicates Z: 33 82.802 2.437 1.406 0.944 1.000 0.875 CB 1.728 33 residues pruned to eliminate duplicates Z: 33 88.372 2.457 1.592 0.962 1.000 0.938 CB 1.678 33 residues pruned to eliminate duplicates Z: 27 61.543 2.386 1.026 0.949 1.000 0.923 CB 1.723 27 residues pruned to eliminate duplicates Z: 30 69.588 2.381 1.347 0.944 0.931 0.793 CB 1.720 29 residues pruned to eliminate duplicates Z: 27 59.393 2.412 1.157 0.838 0.885 0.731 CB 1.890 27 residues pruned to eliminate duplicates Z: 63 81.795 2.330 0.965 0.898 1.000 0.774 CB 1.623 63 residues pruned to eliminate duplicates Z: 30 54.270 2.375 0.872 0.900 1.000 0.862 CB 1.620 30 residues pruned to eliminate duplicates Z: 12 25.472 2.058 0.925 0.835 0.909 0.727 CB 1.598 Z: 24 58.912 2.249 1.299 0.922 1.000 0.783 CB 1.670 24 residues pruned to eliminate duplicates Z: 27 53.636 2.406 0.733 0.950 1.000 1.000 CB 1.740 27 residues pruned to eliminate duplicates Z: 33 78.036 2.438 1.225 0.948 1.000 0.875 CB 1.757 33 residues pruned to eliminate duplicates Z: 13 22.101 1.987 0.852 0.835 0.833 0.667 CA 1.558 13 residues pruned to eliminate duplicates Z: 23 43.090 2.332 0.871 0.856 0.955 0.864 CB 1.627 23 residues pruned to eliminate duplicates Z: 34 80.949 2.386 1.416 0.951 1.000 0.848 CB 1.684 34 residues pruned to eliminate duplicates Z: 29 74.417 2.471 1.372 0.928 1.000 0.893 CB 1.680 30 residues pruned to eliminate duplicates Z: 13 22.452 1.974 0.861 0.859 0.833 0.667 CA 1.559 13 residues pruned to eliminate duplicates Z: 22 67.195 2.374 1.606 0.941 0.905 0.810 CB 1.818 22 residues pruned to eliminate duplicates Z: 22 47.589 2.462 0.767 0.899 1.000 0.857 CB 1.706 22 residues pruned to eliminate duplicates Z: 19 57.475 2.492 1.371 0.866 0.889 0.722 CA 1.888 19 residues pruned to eliminate duplicates Z: 21 48.794 2.431 1.107 0.816 0.900 0.550 CB 1.798 21 residues pruned to eliminate duplicates Z: 26 64.213 2.458 1.148 0.954 1.000 0.960 CB 1.673 26 residues pruned to eliminate duplicates Z: 28 47.117 2.321 0.750 0.915 0.963 0.889 CB 1.638 27 residues pruned to eliminate duplicates Z: 22 49.729 2.395 0.939 0.896 1.000 0.810 CB 1.673 22 residues pruned to eliminate duplicates Z: 30 48.060 2.146 0.975 0.941 1.000 0.862 CB 1.462 30 residues pruned to eliminate duplicates Z: 22 46.644 2.360 1.026 0.893 0.905 0.762 CB 1.688 22 residues pruned to eliminate duplicates Z: 33 88.404 2.433 1.505 0.961 1.000 0.875 CB 1.755 34 residues pruned to eliminate duplicates Z: 33 81.665 2.439 1.327 0.959 1.000 0.875 CB 1.743 33 residues pruned to eliminate duplicates Z: 50 76.926 2.316 0.991 0.901 1.000 0.755 CB 1.702 50 residues pruned to eliminate duplicates Z: 23 58.871 2.292 1.394 0.924 0.955 0.818 CB 1.682 23 residues pruned to eliminate duplicates Z: 33 80.362 2.432 1.284 0.965 1.000 0.969 CB 1.746 33 residues pruned to eliminate duplicates Z: 28 66.881 2.342 1.361 0.958 0.963 0.815 CB 1.658 29 residues pruned to eliminate duplicates Z: 35 70.006 2.434 1.113 0.888 0.941 0.765 CB 1.787 35 residues pruned to eliminate duplicates Z: 63 78.318 2.318 0.933 0.875 0.984 0.758 CB 1.640 63 residues pruned to eliminate duplicates Z: 20 73.492 2.511 1.629 0.958 0.947 0.947 CB 1.848 20 residues pruned to eliminate duplicates Z: 30 56.160 2.381 0.763 0.926 1.000 0.931 CB 1.743 30 residues pruned to eliminate duplicates Z: 33 51.096 2.359 0.973 0.853 0.875 0.594 CB 1.639 33 residues pruned to eliminate duplicates Z: 29 66.041 2.472 1.049 0.918 1.000 0.893 CB 1.737 29 residues pruned to eliminate duplicates Z: 23 39.680 2.361 0.881 0.804 0.955 0.682 CB 1.530 23 residues pruned to eliminate duplicates Z: 49 71.481 2.284 0.978 0.887 0.979 0.792 CB 1.682 49 residues pruned to eliminate duplicates Z: 21 57.788 2.386 1.231 0.944 0.950 0.850 CA 1.769 21 residues pruned to eliminate duplicates Z: 11 28.193 2.090 1.104 0.835 0.900 0.700 CB 1.688 11 residues pruned to eliminate duplicates Z: 22 56.324 2.376 1.164 0.904 1.000 0.857 CB 1.703 22 residues pruned to eliminate duplicates Z: 33 87.208 2.440 1.503 0.962 1.000 0.781 CB 1.727 33 residues pruned to eliminate duplicates Z: 28 85.152 2.572 1.198 0.928 1.000 0.815 CB 2.031 28 residues pruned to eliminate duplicates Z: 12 23.355 2.054 0.792 0.801 0.909 0.727 CB 1.618 12 residues pruned to eliminate duplicates Z: 22 72.267 2.406 1.553 0.940 0.952 0.857 CB 1.872 22 residues pruned to eliminate duplicates Z: 23 50.852 2.322 0.981 0.928 1.000 0.955 CB 1.650 23 residues pruned to eliminate duplicates Z: 33 87.550 2.435 1.561 0.959 1.000 0.812 CB 1.701 33 residues pruned to eliminate duplicates Z: 22 56.009 2.400 1.175 0.923 1.000 0.810 CB 1.645 22 residues pruned to eliminate duplicates Z: 22 51.328 2.400 1.102 0.920 0.952 0.762 CB 1.642 22 residues pruned to eliminate duplicates Z: 34 76.408 2.390 1.213 0.948 1.000 0.818 CB 1.737 34 residues pruned to eliminate duplicates Z: 64 77.516 2.306 0.922 0.880 0.984 0.746 CB 1.623 64 residues pruned to eliminate duplicates Z: 32 55.910 2.444 0.685 0.890 0.968 0.871 CB 1.812 32 residues pruned to eliminate duplicates Z: 63 72.075 2.322 0.738 0.896 1.000 0.694 CB 1.625 63 residues pruned to eliminate duplicates Z: 21 68.816 2.442 1.521 0.911 0.950 0.900 CB 1.865 21 residues pruned to eliminate duplicates Z: 27 54.623 2.356 0.875 0.951 1.000 0.923 CB 1.672 27 residues pruned to eliminate duplicates Z: 28 72.031 2.426 1.105 0.905 1.000 0.815 CA 1.933 28 residues pruned to eliminate duplicates Z: 218 168.938 2.397 1.206 0.826 0.954 0.829 CB 1.714 212 residues pruned to eliminate duplicates Z: 28 55.616 2.304 1.075 0.942 0.963 0.963 CB 1.612 28 residues pruned to eliminate duplicates Z: 32 57.792 2.433 0.831 0.868 0.968 0.677 CB 1.760 32 residues pruned to eliminate duplicates Z: 22 50.761 2.410 0.900 0.913 1.000 1.000 CB 1.712 22 residues pruned to eliminate duplicates Z: 32 75.948 2.477 1.202 0.954 1.000 0.968 CB 1.720 32 residues pruned to eliminate duplicates Z: 63 84.786 2.326 1.027 0.884 0.984 0.726 CB 1.677 63 residues pruned to eliminate duplicates Z: 56 62.224 2.229 0.759 0.892 0.927 0.745 CB 1.658 56 residues pruned to eliminate duplicates Z: 15 43.122 2.325 1.231 0.888 1.000 0.857 CB 1.601 15 residues pruned to eliminate duplicates Z: 22 44.137 2.352 0.691 0.895 1.000 0.905 CB 1.735 22 residues pruned to eliminate duplicates Z: 19 50.555 2.442 1.154 0.836 0.889 0.611 CA 1.909 19 residues pruned to eliminate duplicates Z: 27 38.733 2.159 0.741 0.925 0.962 0.846 CB 1.474 27 residues pruned to eliminate duplicates Z: 25 53.067 2.207 1.386 0.902 0.917 0.708 CB 1.601 25 residues pruned to eliminate duplicates Z: 29 76.132 2.414 1.487 0.926 1.000 0.857 CB 1.681 29 residues pruned to eliminate duplicates Z: 22 52.763 2.433 0.978 0.902 1.000 0.905 CB 1.706 22 residues pruned to eliminate duplicates Z: 31 43.926 2.138 0.861 0.892 0.967 0.767 CB 1.497 31 residues pruned to eliminate duplicates Z: 63 79.943 2.344 0.916 0.895 0.968 0.806 CB 1.674 63 residues pruned to eliminate duplicates Z: 33 47.307 2.087 0.929 0.899 0.969 0.812 CB 1.532 33 residues pruned to eliminate duplicates Z: 12 21.698 2.032 1.036 0.893 0.818 0.727 CB 1.388 12 residues pruned to eliminate duplicates Z: 21 27.712 2.242 0.723 0.758 0.800 0.650 CB 1.594 21 residues pruned to eliminate duplicates Z: 34 78.818 2.403 1.228 0.955 1.000 0.879 CB 1.761 34 residues pruned to eliminate duplicates Z: 218 171.988 2.410 1.233 0.808 0.972 0.793 CB 1.706 218 residues pruned to eliminate duplicates Z: 64 77.136 2.304 0.992 0.876 0.952 0.762 CB 1.615 64 residues pruned to eliminate duplicates Z: 22 48.177 2.365 0.869 0.903 1.000 0.810 CB 1.695 22 residues pruned to eliminate duplicates Z: 87 101.482 2.408 0.994 0.830 0.977 0.767 CB 1.753 87 residues pruned to eliminate duplicates Z: 22 56.175 2.422 1.144 0.918 1.000 0.857 CB 1.665 22 residues pruned to eliminate duplicates Z: 30 49.500 2.127 0.980 0.943 1.000 0.897 CB 1.513 30 residues pruned to eliminate duplicates Z: 13 21.688 2.004 0.688 0.852 0.917 0.750 CA 1.494 11 residues pruned to eliminate duplicates Z: 157 121.666 2.338 1.119 0.771 0.942 0.705 CB 1.642 157 residues pruned to eliminate duplicates Z: 47 56.341 2.194 0.813 0.865 0.978 0.652 CB 1.563 47 residues pruned to eliminate duplicates Z: 51 67.540 2.317 0.783 0.912 0.960 0.800 CB 1.705 51 residues pruned to eliminate duplicates Z: 21 57.563 2.383 1.258 0.911 1.000 0.750 CB 1.695 21 residues pruned to eliminate duplicates Z: 33 45.079 2.106 0.945 0.886 0.938 0.719 CB 1.497 33 residues pruned to eliminate duplicates Z: 63 77.971 2.326 0.934 0.891 0.984 0.774 CB 1.609 63 residues pruned to eliminate duplicates Z: 46 70.980 2.248 1.050 0.901 1.000 0.800 CB 1.640 46 residues pruned to eliminate duplicates Z: 33 79.434 2.426 1.256 0.955 1.000 0.938 CB 1.763 33 residues pruned to eliminate duplicates Z: 10 26.690 2.229 0.606 0.919 1.000 1.000 CB 1.751 10 residues pruned to eliminate duplicates Z: 29 43.742 2.139 0.881 0.943 1.000 0.821 CB 1.424 29 residues pruned to eliminate duplicates Z: 63 79.420 2.316 0.897 0.912 0.968 0.823 CB 1.680 63 residues pruned to eliminate duplicates Z: 13 27.718 2.118 1.006 0.748 0.917 0.750 CB 1.647 13 residues pruned to eliminate duplicates Z: 23 35.972 2.257 0.708 0.851 0.955 0.682 CB 1.542 23 residues pruned to eliminate duplicates Z: 63 83.755 2.296 0.987 0.903 0.984 0.758 CB 1.688 63 residues pruned to eliminate duplicates Z: 11 26.923 2.144 1.205 0.925 0.800 0.700 CB 1.580 11 residues pruned to eliminate duplicates Z: 65 75.975 2.262 0.910 0.901 1.000 0.844 CB 1.568 65 residues pruned to eliminate duplicates Z: 28 63.410 2.365 1.227 0.882 0.889 0.519 CB 1.887 28 residues pruned to eliminate duplicates Z: 9 16.823 2.392 0.530 0.771 1.000 0.625 CB 1.279 9 residues pruned to eliminate duplicates Z: 64 78.684 2.319 0.971 0.876 0.968 0.746 CB 1.628 64 residues pruned to eliminate duplicates Z: 34 82.530 2.356 1.442 0.946 1.000 0.970 CB 1.726 34 residues pruned to eliminate duplicates Z: 32 76.409 2.475 1.221 0.956 1.000 0.903 CB 1.715 32 residues pruned to eliminate duplicates Z: 40 60.135 2.347 1.227 0.735 0.923 0.718 CB 1.616 40 residues pruned to eliminate duplicates Z: 61 104.704 2.424 1.558 0.918 0.950 0.783 CB 1.618 61 residues pruned to eliminate duplicates Z: 62 80.563 2.349 0.855 0.914 0.984 0.836 CB 1.702 62 residues pruned to eliminate duplicates Z: 32 63.750 2.477 0.917 0.876 1.000 0.839 CB 1.753 32 residues pruned to eliminate duplicates Z: 29 65.598 2.438 1.162 0.904 1.000 0.857 CB 1.676 29 residues pruned to eliminate duplicates Z: 188 166.247 2.423 1.281 0.828 0.973 0.759 CB 1.702 188 residues pruned to eliminate duplicates Z: 52 64.860 2.296 0.678 0.901 1.000 0.843 CB 1.683 52 residues pruned to eliminate duplicates Z: 34 70.175 2.337 1.280 0.927 0.970 0.879 CB 1.657 34 residues pruned to eliminate duplicates Z: 153 137.744 2.416 1.160 0.835 0.954 0.750 CB 1.681 153 residues pruned to eliminate duplicates Z: 22 52.202 2.372 1.006 0.903 1.000 0.810 CB 1.707 22 residues pruned to eliminate duplicates Z: 28 75.237 2.570 1.291 0.872 0.926 0.704 CB 1.935 28 residues pruned to eliminate duplicates Z: 32 78.918 2.474 1.315 0.946 1.000 0.871 CB 1.712 32 residues pruned to eliminate duplicates Z: 27 71.016 2.443 1.241 0.899 0.923 0.692 CB 1.969 27 residues pruned to eliminate duplicates Z: 20 46.643 2.367 0.857 0.855 0.947 0.789 CB 1.896 20 residues pruned to eliminate duplicates Z: 30 45.876 2.105 0.991 0.935 1.000 0.828 CB 1.416 30 residues pruned to eliminate duplicates Z: 35 58.001 2.400 0.750 0.890 1.000 0.794 CB 1.703 35 residues pruned to eliminate duplicates Z: 33 74.836 2.414 1.258 0.952 1.000 0.938 CB 1.672 33 residues pruned to eliminate duplicates Z: 32 45.870 2.094 0.818 0.880 1.000 0.806 CB 1.568 32 residues pruned to eliminate duplicates Z: 32 50.043 2.153 1.019 0.910 0.968 0.806 CB 1.515 32 residues pruned to eliminate duplicates Z: 12 23.406 2.065 0.696 0.916 0.909 0.727 CB 1.566 12 residues pruned to eliminate duplicates Z: 35 40.135 2.067 0.676 0.869 0.941 0.824 CB 1.542 35 residues pruned to eliminate duplicates Z: 35 60.535 2.435 0.766 0.890 1.000 0.824 CB 1.737 35 residues pruned to eliminate duplicates Z: 21 70.819 2.462 1.402 0.945 1.000 0.900 CB 1.853 33 residues pruned to eliminate duplicates Z: 62 76.045 2.331 0.859 0.905 0.951 0.885 CB 1.681 62 residues pruned to eliminate duplicates Z: 32 86.650 2.497 1.535 0.968 0.968 0.903 CB 1.730 32 residues pruned to eliminate duplicates Z: 35 52.102 2.425 0.649 0.904 0.941 0.794 CB 1.691 35 residues pruned to eliminate duplicates Z: 32 85.538 2.493 1.385 0.963 1.000 1.000 CB 1.766 32 residues pruned to eliminate duplicates Z: 106 130.016 2.434 1.393 0.820 0.990 0.762 CB 1.666 106 residues pruned to eliminate duplicates Z: 36 53.047 2.173 0.953 0.895 0.971 0.771 CB 1.559 36 residues pruned to eliminate duplicates Z: 104 107.812 2.422 1.102 0.799 0.981 0.767 CB 1.638 104 residues pruned to eliminate duplicates Z: 11 28.792 2.092 0.965 0.838 1.000 0.800 CA 1.655 Z: 65 75.437 2.255 0.870 0.904 0.969 0.828 CB 1.645 65 residues pruned to eliminate duplicates Z: 35 39.593 2.064 0.774 0.877 0.941 0.824 CB 1.431 35 residues pruned to eliminate duplicates Z: 7 8.593 1.704 0.715 0.678 0.833 0.667 CB 1.223 7 residues pruned to eliminate duplicates Z: 82 103.853 2.447 1.168 0.802 0.975 0.802 CB 1.713 82 residues pruned to eliminate duplicates Z: 78 87.839 2.379 1.097 0.777 0.987 0.688 CB 1.591 78 residues pruned to eliminate duplicates Z: 63 77.344 2.318 0.921 0.889 0.968 0.806 CB 1.641 63 residues pruned to eliminate duplicates Z: 85 98.811 2.351 1.321 0.811 0.952 0.762 CB 1.583 85 residues pruned to eliminate duplicates Z: 29 71.245 2.454 1.224 0.935 1.000 0.893 CB 1.719 29 residues pruned to eliminate duplicates Z: 7 5.768 1.606 0.349 0.662 0.833 0.500 CA 1.122 7 residues pruned to eliminate duplicates Z: 33 82.180 2.433 1.364 0.959 1.000 0.875 CB 1.731 33 residues pruned to eliminate duplicates Z: 30 54.962 2.380 0.971 0.898 0.966 0.862 CB 1.612 30 residues pruned to eliminate duplicates Z: 49 89.217 2.413 1.401 0.788 0.979 0.792 CB 1.763 49 residues pruned to eliminate duplicates Z: 34 50.672 2.090 1.039 0.904 1.000 0.697 CB 1.475 34 residues pruned to eliminate duplicates Z: 101 116.231 2.354 1.373 0.810 1.000 0.770 CB 1.588 101 residues pruned to eliminate duplicates Z: 102 114.461 2.423 1.040 0.853 0.960 0.772 CB 1.772 102 residues pruned to eliminate duplicates Z: 28 71.053 2.417 1.448 0.934 1.000 0.926 CB 1.611 28 residues pruned to eliminate duplicates Z: 56 69.413 2.285 1.090 0.812 0.891 0.655 CB 1.677 56 residues pruned to eliminate duplicates Z: 106 130.929 2.422 1.404 0.823 1.000 0.781 CB 1.658 106 residues pruned to eliminate duplicates Z: 23 36.438 2.313 0.569 0.849 1.000 0.727 CB 1.587 23 residues pruned to eliminate duplicates Z: 86 119.164 2.486 1.317 0.807 0.988 0.788 CB 1.737 86 residues pruned to eliminate duplicates Z: 222 179.382 2.405 1.291 0.838 0.955 0.742 CB 1.715 220 residues pruned to eliminate duplicates Z: 10 14.118 1.925 0.295 0.814 0.889 0.778 CA 1.617 10 residues pruned to eliminate duplicates Z: 83 111.425 2.428 1.324 0.823 0.976 0.902 CB 1.690 83 residues pruned to eliminate duplicates Z: 12 25.942 1.999 1.047 0.837 0.909 0.545 CB 1.572 12 residues pruned to eliminate duplicates Z: 29 68.059 2.449 1.181 0.921 1.000 0.964 CB 1.695 29 residues pruned to eliminate duplicates Z: 40 59.360 2.287 1.282 0.740 0.897 0.795 CB 1.636 40 residues pruned to eliminate duplicates Z: 34 45.937 2.075 0.878 0.885 0.970 0.788 CB 1.529 34 residues pruned to eliminate duplicates Z: 90 92.370 2.353 0.980 0.803 0.978 0.742 CB 1.650 90 residues pruned to eliminate duplicates Z: 91 112.158 2.395 1.317 0.817 0.978 0.833 CB 1.655 91 residues pruned to eliminate duplicates Z: 178 161.658 2.404 1.236 0.839 0.983 0.802 CB 1.718 178 residues pruned to eliminate duplicates Z: 33 72.919 2.429 1.144 0.963 1.000 0.969 CB 1.692 33 residues pruned to eliminate duplicates Z: 204 165.789 2.415 1.197 0.815 0.970 0.759 CB 1.719 204 residues pruned to eliminate duplicates Z: 21 43.316 2.388 0.653 0.916 1.000 0.850 CB 1.733 21 residues pruned to eliminate duplicates Z: 59 98.970 2.414 1.394 0.827 1.000 0.862 CB 1.695 59 residues pruned to eliminate duplicates Z: 59 109.157 2.446 1.462 0.844 1.000 0.879 CB 1.771 60 residues pruned to eliminate duplicates Z: 106 117.646 2.382 1.394 0.813 0.971 0.800 CB 1.579 106 residues pruned to eliminate duplicates Z: 22 36.839 2.217 1.152 0.653 0.905 0.762 CB 1.615 22 residues pruned to eliminate duplicates Z: 11 45.160 2.486 1.029 0.911 1.000 0.800 CA 2.007 11 residues pruned to eliminate duplicates Z: 20 35.650 2.078 1.136 0.664 1.000 0.737 CB 1.584 20 residues pruned to eliminate duplicates Z: 75 98.931 2.402 1.290 0.775 0.973 0.784 CB 1.685 75 residues pruned to eliminate duplicates Z: 11 28.790 2.128 1.029 0.895 0.900 0.800 CB 1.680 11 residues pruned to eliminate duplicates Z: 53 80.966 2.340 1.336 0.782 0.981 0.769 CB 1.633 53 residues pruned to eliminate duplicates Z: 12 27.503 2.037 1.139 0.916 0.909 0.545 CB 1.478 11 residues pruned to eliminate duplicates Z: 24 70.610 2.413 1.409 0.947 1.000 0.870 CB 1.751 24 residues pruned to eliminate duplicates Z: 29 59.640 2.481 1.172 0.766 0.929 0.679 CB 1.780 29 residues pruned to eliminate duplicates Z: 11 32.395 2.245 0.963 0.811 1.000 0.900 CA 1.772 11 residues pruned to eliminate duplicates Z: 181 159.737 2.396 1.247 0.819 0.978 0.789 CB 1.714 181 residues pruned to eliminate duplicates Z: 6 3.779 1.579 0.292 0.587 0.800 0.600 CB 0.953 Z: 30 59.362 2.381 0.949 0.918 0.966 0.828 CB 1.736 30 residues pruned to eliminate duplicates Z: 37 55.929 2.219 1.470 0.720 0.917 0.667 CB 1.521 37 residues pruned to eliminate duplicates Z: 6 5.354 1.877 0.441 0.462 0.800 0.600 CA 1.150 6 residues pruned to eliminate duplicates Z: 63 104.751 2.424 1.463 0.832 0.984 0.710 CB 1.700 63 residues pruned to eliminate duplicates 220 residues left after pruning, divided into chains as follows: A: 220 CC for partial structure against native data = 44.45 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.677, Connect. = 0.807 for dens.mod. cycle 1 = 0.300, Contrast = 0.771, Connect. = 0.830 for dens.mod. cycle 2 = 0.300, Contrast = 0.935, Connect. = 0.852 for dens.mod. cycle 3 = 0.300, Contrast = 0.952, Connect. = 0.854 for dens.mod. cycle 4 = 0.300, Contrast = 0.966, Connect. = 0.856 for dens.mod. cycle 5 = 0.300, Contrast = 0.969, Connect. = 0.857 for dens.mod. cycle 6 = 0.300, Contrast = 0.974, 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 = 0.976, Connect. = 0.859 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1537 peaks > 0.5 sigma used to seed fragment search Space for about 385 unique residues taking solvent into account 303 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 27 68.499 2.594 1.075 0.914 0.846 0.615 CB 2.086 B: 12 19.599 2.242 0.448 0.779 1.000 0.545 CB 1.423 C: 23 47.422 2.407 0.685 0.895 0.955 0.727 CB 1.872 12 residues pruned to eliminate duplicates D: 22 68.379 2.420 1.283 0.936 1.000 0.810 CB 1.881 E: 63 79.317 2.394 0.748 0.878 0.984 0.774 CB 1.775 22 residues pruned to eliminate duplicates F: 33 58.022 2.533 0.588 0.886 0.969 0.750 CB 1.898 33 residues pruned to eliminate duplicates G: 30 70.545 2.434 1.179 0.918 0.966 0.828 CB 1.804 H: 30 72.215 2.457 1.110 0.927 1.000 0.793 CB 1.812 30 residues pruned to eliminate duplicates I: 11 41.152 2.600 0.728 0.881 1.000 0.800 CA 2.098 12 residues pruned to eliminate duplicates J: 13 32.545 2.599 0.618 0.865 0.750 0.500 CB 2.183 13 residues pruned to eliminate duplicates K: 17 55.076 2.547 1.027 0.889 0.875 0.812 CB 2.193 17 residues pruned to eliminate duplicates L: 33 74.326 2.494 0.969 0.952 1.000 0.906 CB 1.842 M: 29 74.097 2.594 0.968 0.853 0.964 0.786 CA 2.102 26 residues pruned to eliminate duplicates N: 28 51.529 2.477 0.777 0.821 0.889 0.741 CB 1.919 28 residues pruned to eliminate duplicates O: 22 64.590 2.464 1.078 0.944 0.952 0.905 CA 2.002 22 residues pruned to eliminate duplicates P: 14 49.672 2.653 0.758 0.920 1.000 0.769 CB 2.080 14 residues pruned to eliminate duplicates Q: 8 28.932 2.604 0.735 0.885 1.000 0.857 CB 1.747 8 residues pruned to eliminate duplicates R: 20 56.823 2.419 1.280 0.839 0.947 0.684 CB 1.864 19 residues pruned to eliminate duplicates S: 14 48.862 2.639 0.803 0.908 1.000 0.692 CB 2.023 14 residues pruned to eliminate duplicates T: 19 56.730 2.518 1.067 0.836 0.944 0.667 CB 2.036 19 residues pruned to eliminate duplicates U: 30 65.969 2.439 0.971 0.927 1.000 1.000 CB 1.785 30 residues pruned to eliminate duplicates V: 33 65.700 2.453 0.757 0.917 1.000 0.875 CB 1.902 33 residues pruned to eliminate duplicates W: 20 62.839 2.408 1.381 0.832 0.947 0.684 CB 1.992 20 residues pruned to eliminate duplicates X: 64 79.466 2.378 0.710 0.908 0.984 0.794 CB 1.777 64 residues pruned to eliminate duplicates Y: 65 80.425 2.362 0.790 0.896 0.984 0.859 CB 1.731 64 residues pruned to eliminate duplicates Z: 22 49.533 2.432 0.777 0.896 1.000 0.857 CB 1.792 Z: 22 66.017 2.442 1.131 0.938 1.000 0.857 CA 1.925 22 residues pruned to eliminate duplicates Z: 26 72.785 2.531 1.199 0.873 0.920 0.600 CB 2.071 26 residues pruned to eliminate duplicates Z: 18 54.282 2.547 0.990 0.892 0.941 0.765 CA 1.984 18 residues pruned to eliminate duplicates Z: 34 68.144 2.458 0.987 0.942 0.970 0.879 CB 1.738 34 residues pruned to eliminate duplicates Z: 26 61.271 2.251 1.207 0.926 1.000 0.840 CB 1.730 22 residues pruned to eliminate duplicates Z: 13 48.269 2.508 1.283 0.928 1.000 0.917 CB 1.704 13 residues pruned to eliminate duplicates Z: 24 53.214 2.341 0.893 0.909 1.000 0.783 CB 1.777 24 residues pruned to eliminate duplicates Z: 33 62.031 2.435 0.759 0.904 0.969 0.844 CB 1.882 34 residues pruned to eliminate duplicates Z: 34 76.368 2.410 1.073 0.935 1.000 0.848 CB 1.854 33 residues pruned to eliminate duplicates Z: 26 63.805 2.505 0.957 0.951 1.000 0.880 CB 1.794 26 residues pruned to eliminate duplicates Z: 24 84.679 2.634 1.231 0.940 0.957 0.783 CB 2.181 25 residues pruned to eliminate duplicates Z: 10 40.029 2.601 1.110 0.765 0.889 0.667 CB 2.162 10 residues pruned to eliminate duplicates Z: 33 79.814 2.498 1.116 0.959 1.000 0.906 CB 1.829 34 residues pruned to eliminate duplicates Z: 34 81.310 2.462 1.257 0.954 1.000 0.848 CB 1.752 33 residues pruned to eliminate duplicates Z: 33 87.697 2.503 1.295 0.958 1.000 0.906 CB 1.851 34 residues pruned to eliminate duplicates Z: 33 85.069 2.501 1.331 0.953 1.000 0.812 CB 1.776 34 residues pruned to eliminate duplicates Z: 35 66.755 2.524 0.789 0.874 1.000 0.824 CB 1.846 35 residues pruned to eliminate duplicates Z: 30 55.402 2.437 0.828 0.878 0.966 0.931 CB 1.735 30 residues pruned to eliminate duplicates Z: 22 68.550 2.455 1.123 0.932 1.000 0.905 CA 2.004 26 residues pruned to eliminate duplicates Z: 32 81.684 2.528 1.159 0.954 1.000 0.839 CB 1.849 32 residues pruned to eliminate duplicates Z: 22 72.117 2.470 1.168 0.932 1.000 0.810 CA 2.051 22 residues pruned to eliminate duplicates Z: 30 53.165 2.444 0.545 0.906 1.000 0.862 CB 1.859 30 residues pruned to eliminate duplicates Z: 21 78.355 2.535 1.365 0.953 1.000 0.950 CB 2.011 22 residues pruned to eliminate duplicates Z: 30 64.354 2.454 0.858 0.915 1.000 0.897 CB 1.852 30 residues pruned to eliminate duplicates Z: 28 56.005 2.358 1.040 0.920 0.926 0.815 CB 1.704 28 residues pruned to eliminate duplicates Z: 65 72.329 2.344 0.625 0.895 1.000 0.766 CB 1.703 65 residues pruned to eliminate duplicates Z: 33 77.126 2.508 1.057 0.954 1.000 0.906 CB 1.817 33 residues pruned to eliminate duplicates Z: 33 84.549 2.491 1.209 0.957 1.000 0.938 CB 1.864 33 residues pruned to eliminate duplicates Z: 30 51.600 2.434 0.652 0.896 0.966 0.828 CB 1.767 31 residues pruned to eliminate duplicates Z: 29 66.091 2.422 1.037 0.883 0.929 0.857 CA 1.971 29 residues pruned to eliminate duplicates Z: 33 83.618 2.517 1.198 0.959 1.000 0.938 CB 1.832 33 residues pruned to eliminate duplicates Z: 33 84.942 2.510 1.234 0.963 1.000 0.781 CB 1.830 33 residues pruned to eliminate duplicates Z: 63 76.081 2.326 0.811 0.887 0.952 0.726 CB 1.738 64 residues pruned to eliminate duplicates Z: 20 44.111 2.461 1.184 0.809 0.789 0.632 CA 1.822 20 residues pruned to eliminate duplicates Z: 22 68.689 2.482 1.063 0.949 1.000 0.952 CA 2.020 22 residues pruned to eliminate duplicates Z: 32 80.912 2.526 1.131 0.958 1.000 0.903 CB 1.852 32 residues pruned to eliminate duplicates Z: 30 55.459 2.471 0.776 0.892 0.966 0.931 CB 1.746 30 residues pruned to eliminate duplicates Z: 29 66.134 2.387 1.221 0.864 0.857 0.679 CB 2.016 29 residues pruned to eliminate duplicates Z: 36 53.206 2.417 0.531 0.866 0.971 0.829 CB 1.831 36 residues pruned to eliminate duplicates Z: 23 59.815 2.369 1.163 0.945 0.955 0.909 CA 1.804 23 residues pruned to eliminate duplicates Z: 29 49.676 2.517 0.424 0.914 1.000 0.929 CB 1.853 29 residues pruned to eliminate duplicates Z: 24 51.008 2.307 0.922 0.912 0.957 0.826 CA 1.776 24 residues pruned to eliminate duplicates Z: 23 48.591 2.503 0.721 0.865 1.000 0.818 CB 1.762 23 residues pruned to eliminate duplicates Z: 30 60.544 2.431 0.806 0.916 1.000 0.862 CB 1.809 30 residues pruned to eliminate duplicates Z: 32 77.882 2.548 1.045 0.962 0.968 0.968 CB 1.897 32 residues pruned to eliminate duplicates Z: 28 48.026 2.387 0.797 0.892 0.926 0.815 CB 1.672 28 residues pruned to eliminate duplicates Z: 30 49.984 2.451 0.615 0.887 0.966 0.931 CB 1.752 30 residues pruned to eliminate duplicates Z: 36 44.287 2.183 0.659 0.894 0.971 0.743 CB 1.526 36 residues pruned to eliminate duplicates Z: 22 48.652 2.447 0.781 0.899 1.000 0.952 CB 1.742 22 residues pruned to eliminate duplicates Z: 29 51.287 2.498 0.550 0.905 1.000 0.893 CB 1.781 29 residues pruned to eliminate duplicates Z: 22 49.155 2.446 0.970 0.906 0.905 0.905 CB 1.750 22 residues pruned to eliminate duplicates Z: 19 63.266 2.495 1.216 0.844 1.000 0.722 CA 2.007 20 residues pruned to eliminate duplicates Z: 23 60.542 2.381 1.020 0.928 1.000 0.818 CA 1.880 23 residues pruned to eliminate duplicates Z: 34 76.205 2.425 1.043 0.946 1.000 0.909 CB 1.852 34 residues pruned to eliminate duplicates Z: 22 53.329 2.427 0.977 0.887 1.000 0.857 CB 1.749 22 residues pruned to eliminate duplicates Z: 53 67.819 2.390 0.631 0.896 0.962 0.827 CB 1.797 52 residues pruned to eliminate duplicates Z: 12 22.909 2.108 0.626 0.903 1.000 0.636 CB 1.436 Z: 34 83.157 2.451 1.259 0.948 1.000 0.879 CB 1.806 34 residues pruned to eliminate duplicates Z: 14 43.474 2.382 1.112 0.898 1.000 0.769 CB 1.715 13 residues pruned to eliminate duplicates Z: 28 76.116 2.507 1.313 0.865 0.889 0.704 CA 2.082 28 residues pruned to eliminate duplicates Z: 33 85.019 2.499 1.237 0.960 1.000 0.906 CB 1.841 33 residues pruned to eliminate duplicates Z: 22 46.981 2.453 0.676 0.917 1.000 1.000 CB 1.761 22 residues pruned to eliminate duplicates Z: 21 74.613 2.574 1.373 0.942 0.950 0.800 CB 1.994 22 residues pruned to eliminate duplicates Z: 12 22.826 2.095 0.676 0.924 1.000 0.636 CB 1.377 12 residues pruned to eliminate duplicates Z: 30 42.879 2.216 0.686 0.926 0.966 0.862 CB 1.548 30 residues pruned to eliminate duplicates Z: 12 24.606 2.123 0.849 0.906 0.909 0.636 CB 1.478 12 residues pruned to eliminate duplicates Z: 32 88.156 2.559 1.290 0.962 1.000 0.839 CB 1.848 32 residues pruned to eliminate duplicates Z: 13 26.948 2.362 0.183 0.939 1.000 1.000 CB 1.935 13 residues pruned to eliminate duplicates Z: 34 88.272 2.464 1.449 0.958 1.000 0.909 CB 1.747 33 residues pruned to eliminate duplicates Z: 23 39.800 2.364 0.705 0.871 0.909 0.818 CB 1.689 23 residues pruned to eliminate duplicates Z: 33 88.029 2.487 1.463 0.942 0.969 0.906 CB 1.818 34 residues pruned to eliminate duplicates Z: 29 43.304 2.242 0.626 0.943 1.000 0.964 CB 1.556 29 residues pruned to eliminate duplicates Z: 34 47.727 2.189 0.750 0.881 0.970 0.697 CB 1.619 34 residues pruned to eliminate duplicates Z: 29 68.120 2.492 0.963 0.929 1.000 0.929 CB 1.842 29 residues pruned to eliminate duplicates Z: 12 26.074 2.126 0.781 0.908 1.000 0.636 CB 1.474 12 residues pruned to eliminate duplicates Z: 48 64.552 2.367 0.676 0.886 0.979 0.809 CB 1.750 48 residues pruned to eliminate duplicates Z: 23 67.082 2.409 1.258 0.924 0.955 0.727 CB 1.934 23 residues pruned to eliminate duplicates Z: 31 57.328 2.583 0.550 0.908 1.000 0.867 CB 1.856 31 residues pruned to eliminate duplicates Z: 50 65.647 2.327 0.725 0.897 1.000 0.694 CB 1.673 50 residues pruned to eliminate duplicates Z: 21 42.529 2.448 0.570 0.911 1.000 0.900 CB 1.753 21 residues pruned to eliminate duplicates Z: 63 78.522 2.410 0.684 0.890 1.000 0.806 CB 1.767 63 residues pruned to eliminate duplicates Z: 22 50.679 2.407 0.933 0.908 1.000 0.762 CB 1.688 22 residues pruned to eliminate duplicates Z: 30 72.467 2.444 1.121 0.922 1.000 0.828 CB 1.825 30 residues pruned to eliminate duplicates Z: 46 57.377 2.304 0.685 0.882 0.933 0.889 CB 1.709 46 residues pruned to eliminate duplicates Z: 22 64.235 2.446 0.995 0.932 1.000 0.905 CB 2.005 22 residues pruned to eliminate duplicates Z: 28 50.517 2.263 0.803 0.942 1.000 0.889 CB 1.652 28 residues pruned to eliminate duplicates Z: 33 86.944 2.517 1.308 0.967 1.000 0.938 CB 1.804 33 residues pruned to eliminate duplicates Z: 34 61.259 2.564 0.657 0.883 0.939 0.667 CB 1.932 34 residues pruned to eliminate duplicates Z: 19 42.714 2.503 0.567 0.860 0.944 0.556 CB 1.998 19 residues pruned to eliminate duplicates Z: 22 48.639 2.509 0.639 0.851 0.952 0.762 CB 2.005 22 residues pruned to eliminate duplicates Z: 22 67.951 2.480 1.303 0.929 0.952 0.857 CB 1.908 21 residues pruned to eliminate duplicates Z: 14 31.267 2.506 0.606 0.897 0.923 0.923 CB 1.671 14 residues pruned to eliminate duplicates Z: 33 76.933 2.487 1.089 0.957 1.000 0.906 CB 1.796 33 residues pruned to eliminate duplicates Z: 29 46.896 2.269 0.718 0.939 0.964 0.786 CB 1.638 29 residues pruned to eliminate duplicates Z: 22 48.617 2.412 0.924 0.912 0.952 0.857 CB 1.700 22 residues pruned to eliminate duplicates Z: 22 54.233 2.458 0.949 0.903 1.000 0.810 CB 1.760 22 residues pruned to eliminate duplicates Z: 23 61.222 2.362 1.272 0.878 0.955 0.864 CB 1.849 23 residues pruned to eliminate duplicates Z: 27 70.820 2.371 1.383 0.955 1.000 0.846 CB 1.690 26 residues pruned to eliminate duplicates Z: 19 34.887 2.206 0.721 0.938 1.000 0.944 CB 1.506 19 residues pruned to eliminate duplicates Z: 27 40.410 2.381 0.634 0.829 0.808 0.692 CB 1.897 27 residues pruned to eliminate duplicates Z: 43 64.658 2.399 1.013 0.721 0.929 0.690 CB 1.822 54 residues pruned to eliminate duplicates Z: 22 47.000 2.392 0.788 0.878 1.000 0.857 CB 1.741 22 residues pruned to eliminate duplicates Z: 54 54.531 2.354 0.436 0.894 0.943 0.755 CB 1.684 54 residues pruned to eliminate duplicates Z: 22 61.690 2.463 0.973 0.934 1.000 0.952 CA 1.931 22 residues pruned to eliminate duplicates Z: 49 68.208 2.360 0.756 0.889 0.979 0.667 CB 1.747 49 residues pruned to eliminate duplicates Z: 13 22.242 2.031 0.680 0.884 0.917 0.667 CB 1.483 Z: 34 74.460 2.464 1.040 0.956 1.000 0.909 CB 1.771 34 residues pruned to eliminate duplicates Z: 31 65.624 2.557 0.766 0.921 0.967 0.800 CB 1.931 31 residues pruned to eliminate duplicates Z: 33 73.232 2.497 0.957 0.956 1.000 0.875 CB 1.819 32 residues pruned to eliminate duplicates Z: 31 59.764 2.331 1.111 0.884 0.967 0.733 CB 1.658 31 residues pruned to eliminate duplicates Z: 22 49.791 2.419 0.929 0.899 0.952 0.810 CB 1.748 22 residues pruned to eliminate duplicates Z: 7 10.460 1.679 0.700 0.677 0.833 0.500 C 1.525 7 residues pruned to eliminate duplicates Z: 23 54.061 2.381 0.992 0.908 1.000 0.909 CB 1.726 23 residues pruned to eliminate duplicates Z: 13 30.408 2.520 1.111 0.648 0.833 0.667 CB 1.724 13 residues pruned to eliminate duplicates Z: 22 41.088 2.433 0.498 0.902 1.000 0.952 CB 1.755 22 residues pruned to eliminate duplicates Z: 22 46.226 2.425 0.719 0.900 1.000 0.905 CB 1.729 22 residues pruned to eliminate duplicates Z: 51 60.794 2.350 0.579 0.889 0.940 0.720 CB 1.773 51 residues pruned to eliminate duplicates Z: 35 63.642 2.506 0.802 0.873 0.971 0.588 CB 1.813 35 residues pruned to eliminate duplicates Z: 22 46.008 2.387 0.713 0.898 1.000 0.905 CB 1.757 22 residues pruned to eliminate duplicates Z: 22 50.593 2.422 0.819 0.901 1.000 0.905 CB 1.788 22 residues pruned to eliminate duplicates Z: 13 21.489 1.992 0.913 0.890 0.833 0.667 CB 1.405 13 residues pruned to eliminate duplicates Z: 20 44.382 2.380 0.870 0.812 0.947 0.737 CB 1.840 20 residues pruned to eliminate duplicates Z: 10 23.954 2.292 0.377 0.936 1.000 1.000 CB 1.762 10 residues pruned to eliminate duplicates Z: 33 69.442 2.471 0.906 0.946 1.000 0.969 CB 1.803 33 residues pruned to eliminate duplicates Z: 64 70.697 2.358 0.612 0.897 0.968 0.810 CB 1.733 64 residues pruned to eliminate duplicates Z: 13 33.894 2.322 0.627 0.910 0.917 0.917 CB 2.004 13 residues pruned to eliminate duplicates Z: 12 23.340 2.157 0.398 0.885 1.000 1.000 CB 1.685 12 residues pruned to eliminate duplicates Z: 38 46.830 2.175 0.662 0.875 0.946 0.757 CB 1.638 38 residues pruned to eliminate duplicates Z: 34 72.306 2.429 0.953 0.960 1.000 0.970 CB 1.817 34 residues pruned to eliminate duplicates Z: 31 55.797 2.590 0.441 0.910 1.000 0.900 CB 1.936 31 residues pruned to eliminate duplicates Z: 107 111.350 2.498 0.948 0.807 0.953 0.783 CB 1.784 105 residues pruned to eliminate duplicates Z: 20 46.985 2.384 1.061 0.833 0.895 0.632 CB 1.839 20 residues pruned to eliminate duplicates Z: 22 51.018 2.578 0.767 0.836 1.000 0.810 CB 1.829 22 residues pruned to eliminate duplicates Z: 28 38.560 2.254 0.462 0.944 1.000 0.926 CB 1.559 28 residues pruned to eliminate duplicates Z: 29 44.239 2.171 0.679 0.927 1.000 0.929 CB 1.607 29 residues pruned to eliminate duplicates Z: 22 45.763 2.411 0.741 0.886 1.000 0.667 CB 1.716 22 residues pruned to eliminate duplicates Z: 13 41.563 2.478 1.112 0.911 1.000 0.833 CB 1.625 13 residues pruned to eliminate duplicates Z: 12 25.752 2.130 0.574 0.911 1.000 1.000 CB 1.641 12 residues pruned to eliminate duplicates Z: 12 25.362 2.119 0.651 0.879 1.000 0.909 CB 1.584 12 residues pruned to eliminate duplicates Z: 64 70.823 2.360 0.621 0.895 0.952 0.794 CB 1.755 64 residues pruned to eliminate duplicates Z: 33 73.854 2.480 0.940 0.955 1.000 0.969 CB 1.865 33 residues pruned to eliminate duplicates Z: 49 67.961 2.377 0.739 0.902 0.979 0.812 CB 1.728 49 residues pruned to eliminate duplicates Z: 32 86.725 2.551 1.349 0.952 0.968 0.710 CB 1.850 32 residues pruned to eliminate duplicates Z: 64 76.871 2.360 0.725 0.898 1.000 0.778 CB 1.701 64 residues pruned to eliminate duplicates Z: 34 67.447 2.517 0.859 0.876 0.970 0.758 CB 1.881 34 residues pruned to eliminate duplicates Z: 106 114.084 2.517 0.963 0.812 0.952 0.790 CB 1.804 106 residues pruned to eliminate duplicates Z: 29 73.088 2.494 1.249 0.929 1.000 0.750 CB 1.724 29 residues pruned to eliminate duplicates Z: 20 33.510 2.161 0.748 0.923 1.000 0.842 CB 1.430 20 residues pruned to eliminate duplicates Z: 30 50.751 2.455 0.589 0.872 0.931 0.759 CB 1.891 30 residues pruned to eliminate duplicates Z: 34 80.527 2.391 1.137 0.928 1.000 0.848 CB 1.922 34 residues pruned to eliminate duplicates Z: 7 10.480 1.757 0.774 0.660 1.000 0.500 CB 1.183 Z: 107 124.853 2.489 1.184 0.811 0.962 0.708 CB 1.769 107 residues pruned to eliminate duplicates Z: 9 11.378 2.006 0.636 0.407 1.000 0.500 CB 1.352 9 residues pruned to eliminate duplicates Z: 102 120.478 2.478 1.182 0.811 0.980 0.792 CB 1.725 102 residues pruned to eliminate duplicates Z: 24 43.838 2.296 1.007 0.776 0.870 0.739 CA 1.788 24 residues pruned to eliminate duplicates Z: 31 49.479 2.170 0.900 0.917 0.967 0.833 CB 1.600 31 residues pruned to eliminate duplicates Z: 34 51.871 2.203 0.739 0.900 1.000 0.818 CB 1.683 34 residues pruned to eliminate duplicates Z: 31 58.727 2.361 0.862 0.896 0.967 0.867 CB 1.808 31 residues pruned to eliminate duplicates Z: 35 72.802 2.535 0.836 0.889 1.000 0.765 CB 1.931 35 residues pruned to eliminate duplicates Z: 30 53.673 2.444 0.525 0.917 1.000 0.966 CB 1.887 30 residues pruned to eliminate duplicates Z: 38 47.785 2.188 0.627 0.877 0.946 0.757 CB 1.695 38 residues pruned to eliminate duplicates Z: 23 70.493 2.373 1.378 0.946 0.955 0.909 CB 1.929 23 residues pruned to eliminate duplicates Z: 21 59.780 2.417 1.174 0.949 1.000 0.900 CB 1.755 21 residues pruned to eliminate duplicates Z: 8 5.086 1.783 0.523 0.275 0.714 0.429 CB 1.279 8 residues pruned to eliminate duplicates Z: 128 118.471 2.443 0.948 0.803 0.961 0.772 CB 1.765 131 residues pruned to eliminate duplicates Z: 27 66.945 2.472 1.080 0.952 0.962 0.923 CB 1.828 27 residues pruned to eliminate duplicates Z: 63 71.184 2.401 0.572 0.895 0.952 0.839 CB 1.805 63 residues pruned to eliminate duplicates Z: 11 28.115 2.184 0.699 0.928 1.000 0.800 CB 1.678 11 residues pruned to eliminate duplicates Z: 28 59.641 2.452 0.888 0.850 0.926 0.593 CA 1.984 28 residues pruned to eliminate duplicates Z: 44 73.975 2.423 1.207 0.781 0.953 0.814 CB 1.727 44 residues pruned to eliminate duplicates Z: 24 48.059 2.504 0.857 0.745 0.913 0.696 CB 1.896 24 residues pruned to eliminate duplicates Z: 9 5.527 1.855 0.525 0.321 0.750 0.250 CB 1.123 9 residues pruned to eliminate duplicates Z: 51 69.662 2.318 0.806 0.832 0.980 0.760 CB 1.804 51 residues pruned to eliminate duplicates Z: 47 59.428 2.300 0.700 0.880 0.935 0.804 CB 1.737 47 residues pruned to eliminate duplicates Z: 27 42.128 2.400 0.328 0.942 1.000 0.923 CB 1.798 27 residues pruned to eliminate duplicates Z: 30 47.635 2.377 0.532 0.894 1.000 0.931 CB 1.742 30 residues pruned to eliminate duplicates Z: 22 42.316 2.415 0.638 0.838 0.952 0.810 CB 1.832 22 residues pruned to eliminate duplicates Z: 51 70.145 2.372 0.758 0.893 0.980 0.800 CB 1.742 51 residues pruned to eliminate duplicates Z: 33 50.221 2.191 0.757 0.906 1.000 0.812 CB 1.639 33 residues pruned to eliminate duplicates Z: 105 132.554 2.515 1.231 0.824 1.000 0.788 CB 1.749 105 residues pruned to eliminate duplicates Z: 90 98.117 2.437 0.792 0.812 1.000 0.753 CB 1.815 90 residues pruned to eliminate duplicates Z: 26 63.191 2.618 1.023 0.867 0.800 0.680 CB 2.182 26 residues pruned to eliminate duplicates Z: 31 39.881 2.197 0.781 0.882 0.933 0.700 CB 1.443 31 residues pruned to eliminate duplicates Z: 35 45.078 2.135 0.678 0.889 1.000 0.853 CB 1.554 35 residues pruned to eliminate duplicates Z: 175 156.783 2.475 1.047 0.818 0.977 0.805 CB 1.822 175 residues pruned to eliminate duplicates Z: 59 103.541 2.493 1.277 0.829 1.000 0.776 CB 1.801 59 residues pruned to eliminate duplicates Z: 22 42.224 2.316 0.812 0.734 1.000 0.905 CB 1.779 22 residues pruned to eliminate duplicates Z: 63 76.012 2.380 0.690 0.889 0.984 0.774 CB 1.757 63 residues pruned to eliminate duplicates Z: 86 108.618 2.461 1.135 0.813 0.988 0.788 CB 1.729 86 residues pruned to eliminate duplicates Z: 20 54.901 2.438 1.156 0.890 0.842 0.526 CB 2.048 20 residues pruned to eliminate duplicates Z: 69 90.089 2.465 0.798 0.845 0.971 0.750 CB 1.889 69 residues pruned to eliminate duplicates Z: 8 7.269 2.170 0.489 0.780 0.571 0.429 CB 1.162 8 residues pruned to eliminate duplicates Z: 20 21.159 2.069 0.404 0.623 0.895 0.789 CB 1.663 20 residues pruned to eliminate duplicates Z: 6 2.056 1.369 0.415 0.445 0.600 0.400 CB 0.837 Z: 36 70.606 2.431 1.034 0.808 0.971 0.829 CB 1.898 36 residues pruned to eliminate duplicates Z: 52 85.094 2.411 1.194 0.787 0.980 0.667 CB 1.785 52 residues pruned to eliminate duplicates Z: 91 120.137 2.492 1.160 0.841 1.000 0.800 CB 1.755 91 residues pruned to eliminate duplicates Z: 55 70.751 2.365 0.795 0.826 0.944 0.704 CB 1.812 55 residues pruned to eliminate duplicates Z: 6 2.916 1.478 0.491 0.292 0.800 0.400 CB 0.933 Z: 43 64.792 2.375 0.784 0.778 0.976 0.714 CB 1.892 43 residues pruned to eliminate duplicates Z: 61 100.323 2.425 1.227 0.828 1.000 0.783 CB 1.807 61 residues pruned to eliminate duplicates Z: 31 73.204 2.489 1.294 0.811 1.000 0.867 CB 1.786 31 residues pruned to eliminate duplicates Z: 6 3.758 1.574 0.722 0.414 0.600 0.400 CB 1.131 Z: 41 55.450 2.243 0.807 0.819 0.975 0.725 CB 1.682 41 residues pruned to eliminate duplicates Z: 11 30.004 2.199 0.787 0.870 1.000 0.800 CA 1.761 11 residues pruned to eliminate duplicates Z: 23 51.979 2.351 0.932 0.913 1.000 0.818 CB 1.727 23 residues pruned to eliminate duplicates Z: 100 110.416 2.486 0.811 0.823 0.990 0.778 CB 1.883 100 residues pruned to eliminate duplicates Z: 63 77.921 2.404 0.661 0.912 0.968 0.839 CB 1.814 63 residues pruned to eliminate duplicates Z: 46 81.650 2.498 1.091 0.766 0.956 0.867 CB 1.926 47 residues pruned to eliminate duplicates Z: 26 57.699 2.559 0.853 0.734 0.960 0.680 CA 2.054 26 residues pruned to eliminate duplicates Z: 109 122.944 2.483 0.923 0.836 0.991 0.787 CB 1.873 109 residues pruned to eliminate duplicates Z: 105 119.147 2.539 0.866 0.820 0.962 0.750 CB 1.942 105 residues pruned to eliminate duplicates Z: 46 82.161 2.406 1.185 0.789 1.000 0.711 CB 1.807 46 residues pruned to eliminate duplicates Z: 81 105.637 2.438 1.182 0.809 1.000 0.800 CB 1.697 81 residues pruned to eliminate duplicates Z: 28 80.517 2.660 1.315 0.804 0.963 0.741 CB 2.004 28 residues pruned to eliminate duplicates Z: 27 72.442 2.676 1.107 0.792 0.962 0.769 CB 2.028 27 residues pruned to eliminate duplicates Z: 104 123.148 2.464 1.212 0.811 0.990 0.777 CB 1.714 104 residues pruned to eliminate duplicates Z: 12 23.015 2.021 0.507 0.788 1.000 0.818 CA 1.769 12 residues pruned to eliminate duplicates Z: 7 9.102 1.855 0.480 0.664 0.833 0.833 CA 1.396 Z: 33 89.842 2.477 1.423 0.959 1.000 0.875 CB 1.814 33 residues pruned to eliminate duplicates Z: 41 61.203 2.335 0.797 0.849 1.000 0.875 CB 1.709 41 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 4.163 1.708 0.288 0.393 1.000 0.600 CA 0.948 6 residues pruned to eliminate duplicates Z: 157 134.345 2.446 0.940 0.836 0.949 0.737 CB 1.789 157 residues pruned to eliminate duplicates Z: 218 162.559 2.481 0.937 0.809 0.968 0.779 CB 1.813 218 residues pruned to eliminate duplicates Z: 218 164.758 2.489 0.923 0.823 0.963 0.783 CB 1.833 219 residues pruned to eliminate duplicates Z: 36 72.779 2.462 0.981 0.893 1.000 0.943 CB 1.810 36 residues pruned to eliminate duplicates Z: 208 164.898 2.508 0.912 0.831 0.971 0.783 CB 1.850 208 residues pruned to eliminate duplicates Z: 107 113.647 2.504 0.956 0.813 0.972 0.774 CB 1.767 107 residues pruned to eliminate duplicates Z: 106 117.466 2.504 1.023 0.815 0.971 0.790 CB 1.773 106 residues pruned to eliminate duplicates Z: 221 178.205 2.506 0.976 0.841 0.982 0.777 CB 1.842 225 residues pruned to eliminate duplicates Z: 33 78.340 2.514 1.083 0.950 1.000 0.906 CB 1.825 33 residues pruned to eliminate duplicates Z: 155 137.420 2.470 0.965 0.822 0.974 0.773 CB 1.773 155 residues pruned to eliminate duplicates Z: 107 118.107 2.496 1.048 0.813 0.962 0.755 CB 1.776 107 residues pruned to eliminate duplicates Z: 152 142.226 2.497 0.982 0.847 0.967 0.742 CB 1.796 152 residues pruned to eliminate duplicates Z: 173 145.846 2.478 0.947 0.821 0.971 0.744 CB 1.796 173 residues pruned to eliminate duplicates Z: 108 116.062 2.501 1.036 0.822 0.935 0.757 CB 1.782 108 residues pruned to eliminate duplicates Z: 107 118.761 2.505 1.064 0.816 0.962 0.802 CB 1.762 107 residues pruned to eliminate duplicates Z: 54 96.518 2.522 1.105 0.835 1.000 0.792 CB 1.871 54 residues pruned to eliminate duplicates Z: 34 79.145 2.460 1.093 0.955 1.000 0.879 CB 1.839 34 residues pruned to eliminate duplicates Z: 220 181.833 2.509 1.024 0.841 0.977 0.781 CB 1.846 220 residues pruned to eliminate duplicates Z: 220 172.444 2.509 0.963 0.839 0.963 0.772 CB 1.833 220 residues pruned to eliminate duplicates Z: 135 131.339 2.499 0.957 0.795 0.978 0.739 CB 1.832 135 residues pruned to eliminate duplicates Z: 108 119.157 2.500 0.996 0.809 0.991 0.794 CB 1.780 108 residues pruned to eliminate duplicates Z: 106 120.219 2.507 1.054 0.812 0.981 0.790 CB 1.771 106 residues pruned to eliminate duplicates Z: 153 149.032 2.487 1.043 0.840 0.993 0.796 CB 1.787 153 residues pruned to eliminate duplicates Z: 184 145.480 2.447 0.967 0.804 0.978 0.787 CB 1.752 107 residues pruned to eliminate duplicates Z: 33 86.301 2.511 1.292 0.959 1.000 0.812 CB 1.817 33 residues pruned to eliminate duplicates Z: 55 86.964 2.459 1.067 0.825 0.981 0.815 CB 1.791 55 residues pruned to eliminate duplicates Z: 107 119.591 2.490 1.062 0.811 0.972 0.745 CB 1.776 107 residues pruned to eliminate duplicates Z: 70 98.014 2.481 1.045 0.833 0.986 0.797 CB 1.770 70 residues pruned to eliminate duplicates Z: 152 142.195 2.478 1.024 0.833 0.974 0.748 CB 1.778 152 residues pruned to eliminate duplicates Z: 106 120.065 2.505 1.057 0.816 0.981 0.781 CB 1.761 106 residues pruned to eliminate duplicates Z: 51 89.698 2.508 1.160 0.823 0.980 0.860 CB 1.806 51 residues pruned to eliminate duplicates Z: 106 122.099 2.507 1.056 0.816 0.990 0.781 CB 1.774 106 residues pruned to eliminate duplicates Z: 156 140.047 2.456 0.999 0.825 0.968 0.774 CB 1.787 156 residues pruned to eliminate duplicates Z: 154 140.416 2.468 1.029 0.830 0.961 0.745 CB 1.774 154 residues pruned to eliminate duplicates Z: 108 111.891 2.469 1.004 0.802 0.963 0.720 CB 1.744 108 residues pruned to eliminate duplicates Z: 108 123.025 2.463 1.122 0.799 0.991 0.776 CB 1.769 108 residues pruned to eliminate duplicates Z: 220 175.018 2.510 0.981 0.830 0.973 0.776 CB 1.838 220 residues pruned to eliminate duplicates Z: 153 140.199 2.472 1.062 0.819 0.947 0.730 CB 1.785 153 residues pruned to eliminate duplicates Z: 153 143.646 2.475 0.998 0.826 0.993 0.750 CB 1.788 153 residues pruned to eliminate duplicates Z: 106 119.336 2.522 1.021 0.825 0.962 0.800 CB 1.792 106 residues pruned to eliminate duplicates Z: 220 171.619 2.502 1.003 0.824 0.954 0.795 CB 1.831 220 residues pruned to eliminate duplicates Z: 186 159.170 2.506 0.966 0.843 0.968 0.735 CB 1.828 186 residues pruned to eliminate duplicates Z: 107 125.236 2.490 1.141 0.809 0.991 0.774 CB 1.759 107 residues pruned to eliminate duplicates Z: 158 146.728 2.463 1.058 0.819 0.975 0.713 CB 1.797 158 residues pruned to eliminate duplicates Z: 221 172.806 2.504 0.978 0.836 0.964 0.777 CB 1.827 221 residues pruned to eliminate duplicates Z: 220 177.379 2.511 1.004 0.840 0.973 0.763 CB 1.827 220 residues pruned to eliminate duplicates Z: 107 120.462 2.502 1.102 0.807 0.962 0.764 CB 1.768 107 residues pruned to eliminate duplicates Z: 174 159.742 2.504 1.057 0.847 0.954 0.746 CB 1.835 174 residues pruned to eliminate duplicates Z: 106 130.349 2.509 1.205 0.818 0.981 0.752 CB 1.778 106 residues pruned to eliminate duplicates Z: 209 179.813 2.514 1.082 0.842 0.966 0.764 CB 1.836 209 residues pruned to eliminate duplicates Z: 107 128.603 2.504 1.174 0.810 0.991 0.764 CB 1.769 107 residues pruned to eliminate duplicates Z: 156 141.406 2.465 1.048 0.816 0.961 0.755 CB 1.779 156 residues pruned to eliminate duplicates Z: 106 114.064 2.444 1.093 0.777 0.962 0.790 CB 1.771 106 residues pruned to eliminate duplicates Z: 108 124.006 2.464 1.194 0.809 0.963 0.813 CB 1.760 108 residues pruned to eliminate duplicates Z: 109 130.105 2.487 1.217 0.808 0.981 0.750 CB 1.768 109 residues pruned to eliminate duplicates Z: 151 153.350 2.501 1.112 0.846 0.973 0.740 CB 1.809 151 residues pruned to eliminate duplicates Z: 108 125.014 2.467 1.176 0.797 0.981 0.720 CB 1.769 108 residues pruned to eliminate duplicates Z: 152 155.702 2.495 1.139 0.843 0.987 0.728 CB 1.792 152 residues pruned to eliminate duplicates Z: 108 128.377 2.475 1.255 0.803 0.972 0.729 CB 1.755 108 residues pruned to eliminate duplicates Z: 82 110.594 2.463 1.218 0.821 0.975 0.716 CB 1.746 82 residues pruned to eliminate duplicates Z: 110 122.526 2.454 1.146 0.794 0.982 0.716 CB 1.754 110 residues pruned to eliminate duplicates Z: 108 126.251 2.489 1.239 0.800 0.953 0.748 CB 1.767 108 residues pruned to eliminate duplicates Z: 221 173.398 2.491 1.048 0.822 0.955 0.759 CB 1.817 221 residues pruned to eliminate duplicates Z: 109 129.839 2.476 1.228 0.807 0.972 0.750 CB 1.782 109 residues pruned to eliminate duplicates Z: 107 126.278 2.495 1.194 0.811 0.972 0.726 CB 1.759 107 residues pruned to eliminate duplicates Z: 130 138.202 2.493 1.193 0.796 0.969 0.760 CB 1.773 130 residues pruned to eliminate duplicates Z: 221 179.767 2.492 1.087 0.838 0.955 0.759 CB 1.825 221 residues pruned to eliminate duplicates Z: 158 136.879 2.429 1.095 0.811 0.949 0.726 CB 1.725 158 residues pruned to eliminate duplicates Z: 187 150.327 2.454 1.040 0.802 0.957 0.753 CB 1.766 186 residues pruned to eliminate duplicates Z: 24 45.080 2.395 0.776 0.863 0.957 0.609 CB 1.696 24 residues pruned to eliminate duplicates Z: 108 128.102 2.477 1.201 0.812 0.991 0.794 CB 1.748 108 residues pruned to eliminate duplicates Z: 106 130.613 2.499 1.222 0.826 0.990 0.810 CB 1.747 106 residues pruned to eliminate duplicates Z: 153 150.609 2.478 1.149 0.835 0.967 0.730 CB 1.776 153 residues pruned to eliminate duplicates Z: 108 130.027 2.477 1.235 0.805 0.981 0.720 CB 1.773 108 residues pruned to eliminate duplicates Z: 38 72.408 2.508 1.086 0.803 0.973 0.757 CB 1.795 38 residues pruned to eliminate duplicates Z: 106 130.041 2.503 1.201 0.826 0.990 0.752 CB 1.753 106 residues pruned to eliminate duplicates Z: 170 141.144 2.429 1.057 0.768 0.970 0.728 CB 1.766 170 residues pruned to eliminate duplicates Z: 108 124.531 2.472 1.194 0.806 0.981 0.766 CB 1.732 108 residues pruned to eliminate duplicates Z: 156 144.963 2.452 1.112 0.828 0.968 0.735 CB 1.750 156 residues pruned to eliminate duplicates Z: 110 122.002 2.455 1.173 0.796 0.972 0.725 CB 1.739 110 residues pruned to eliminate duplicates Z: 77 92.540 2.444 0.921 0.790 0.961 0.750 CB 1.825 51 residues pruned to eliminate duplicates Z: 22 52.824 2.463 0.894 0.914 1.000 0.952 CB 1.747 13 residues pruned to eliminate duplicates Z: 13 41.795 2.477 1.046 0.912 1.000 0.917 CB 1.687 13 residues pruned to eliminate duplicates Z: 158 148.109 2.454 1.100 0.832 0.975 0.739 CB 1.767 85 residues pruned to eliminate duplicates Z: 13 48.075 2.526 1.276 0.910 1.000 0.667 CB 1.712 13 residues pruned to eliminate duplicates Z: 111 124.410 2.466 1.206 0.783 0.982 0.782 CB 1.730 111 residues pruned to eliminate duplicates Z: 221 177.042 2.486 1.055 0.829 0.959 0.745 CB 1.833 221 residues pruned to eliminate duplicates Z: 138 142.741 2.535 1.019 0.823 0.956 0.737 CB 1.884 138 residues pruned to eliminate duplicates Z: 221 182.242 2.492 1.092 0.834 0.977 0.745 CB 1.808 221 residues pruned to eliminate duplicates Z: 14 45.927 2.367 1.215 0.903 1.000 0.769 CB 1.732 14 residues pruned to eliminate duplicates Z: 41 69.286 2.413 1.075 0.744 0.975 0.725 CB 1.804 41 residues pruned to eliminate duplicates Z: 26 61.681 2.565 1.310 0.763 0.880 0.560 CB 1.873 26 residues pruned to eliminate duplicates Z: 219 175.847 2.489 1.038 0.817 0.972 0.803 CB 1.833 219 residues pruned to eliminate duplicates Z: 30 78.049 2.533 1.051 0.857 1.000 0.552 CA 2.056 30 residues pruned to eliminate duplicates Z: 220 182.373 2.507 1.064 0.839 0.973 0.740 CB 1.828 220 residues pruned to eliminate duplicates Z: 107 134.053 2.493 1.279 0.818 0.991 0.774 CB 1.755 107 residues pruned to eliminate duplicates Z: 156 151.226 2.468 1.131 0.834 0.961 0.787 CB 1.800 156 residues pruned to eliminate duplicates Z: 154 148.295 2.467 1.137 0.832 0.974 0.719 CB 1.753 154 residues pruned to eliminate duplicates Z: 108 126.082 2.479 1.178 0.805 0.981 0.785 CB 1.763 108 residues pruned to eliminate duplicates Z: 107 128.935 2.479 1.223 0.814 0.981 0.736 CB 1.763 107 residues pruned to eliminate duplicates Z: 218 171.394 2.481 1.067 0.818 0.954 0.783 CB 1.804 218 residues pruned to eliminate duplicates Z: 172 149.853 2.452 1.136 0.815 0.936 0.696 CB 1.778 172 residues pruned to eliminate duplicates Z: 157 147.664 2.462 1.121 0.828 0.962 0.718 CB 1.773 157 residues pruned to eliminate duplicates Z: 28 67.269 2.497 1.107 0.843 0.889 0.519 CB 2.061 28 residues pruned to eliminate duplicates Z: 94 103.171 2.475 0.806 0.846 0.957 0.613 CB 1.858 94 residues pruned to eliminate duplicates Z: 220 178.037 2.503 1.064 0.836 0.950 0.753 CB 1.836 221 residues pruned to eliminate duplicates Z: 19 64.873 2.544 1.319 0.843 0.944 0.722 CB 2.044 19 residues pruned to eliminate duplicates Z: 155 138.489 2.424 1.065 0.791 0.961 0.708 CB 1.797 155 residues pruned to eliminate duplicates Z: 52 82.905 2.401 0.971 0.849 0.980 0.725 CB 1.854 52 residues pruned to eliminate duplicates Z: 154 149.483 2.468 1.140 0.831 0.974 0.804 CB 1.765 154 residues pruned to eliminate duplicates Z: 152 146.969 2.460 1.166 0.834 0.954 0.788 CB 1.764 152 residues pruned to eliminate duplicates Z: 221 185.461 2.504 1.051 0.844 0.986 0.791 CB 1.837 221 residues pruned to eliminate duplicates Z: 20 47.786 2.426 1.072 0.820 0.895 0.737 CB 1.846 20 residues pruned to eliminate duplicates Z: 215 169.872 2.474 1.067 0.810 0.967 0.757 CB 1.792 215 residues pruned to eliminate duplicates Z: 120 123.319 2.480 0.948 0.830 0.941 0.748 CB 1.869 120 residues pruned to eliminate duplicates Z: 74 99.829 2.413 1.077 0.833 0.973 0.671 CB 1.798 74 residues pruned to eliminate duplicates Z: 53 85.905 2.480 0.913 0.872 0.981 0.769 CB 1.867 53 residues pruned to eliminate duplicates Z: 219 169.180 2.474 1.005 0.829 0.972 0.766 CB 1.787 219 residues pruned to eliminate duplicates Z: 221 184.752 2.497 1.085 0.836 0.982 0.777 CB 1.824 221 residues pruned to eliminate duplicates Z: 51 76.839 2.415 0.900 0.847 0.960 0.600 CB 1.832 51 residues pruned to eliminate duplicates Z: 82 93.095 2.478 0.714 0.862 0.951 0.741 CB 1.881 82 residues pruned to eliminate duplicates Z: 222 174.153 2.484 1.017 0.832 0.964 0.778 CB 1.821 222 residues pruned to eliminate duplicates Z: 221 178.423 2.499 1.025 0.839 0.977 0.786 CB 1.817 221 residues pruned to eliminate duplicates Z: 156 142.391 2.462 1.100 0.812 0.955 0.761 CB 1.766 156 residues pruned to eliminate duplicates Z: 218 177.408 2.486 1.053 0.832 0.982 0.751 CB 1.806 218 residues pruned to eliminate duplicates Z: 153 149.427 2.469 1.104 0.839 0.987 0.822 CB 1.765 153 residues pruned to eliminate duplicates Z: 208 180.846 2.514 1.071 0.839 0.976 0.787 CB 1.847 208 residues pruned to eliminate duplicates Z: 141 137.170 2.508 0.961 0.819 0.957 0.771 CB 1.867 141 residues pruned to eliminate duplicates Z: 56 72.021 2.340 0.792 0.816 0.964 0.655 CB 1.826 56 residues pruned to eliminate duplicates Z: 122 123.766 2.479 0.855 0.826 0.983 0.769 CB 1.876 122 residues pruned to eliminate duplicates Z: 152 152.820 2.484 1.115 0.837 0.993 0.788 CB 1.783 152 residues pruned to eliminate duplicates Z: 139 141.171 2.528 0.961 0.838 0.957 0.783 CB 1.894 139 residues pruned to eliminate duplicates Z: 221 182.840 2.497 1.057 0.827 0.986 0.755 CB 1.833 221 residues pruned to eliminate duplicates Z: 33 43.968 2.207 0.763 0.877 0.906 0.781 CB 1.601 33 residues pruned to eliminate duplicates Z: 152 156.229 2.496 1.091 0.847 1.000 0.815 CB 1.807 152 residues pruned to eliminate duplicates Z: 115 131.333 2.516 0.921 0.852 0.982 0.789 CB 1.917 116 residues pruned to eliminate duplicates Z: 64 79.815 2.393 0.716 0.899 0.984 0.810 CB 1.778 64 residues pruned to eliminate duplicates Z: 157 150.133 2.460 1.076 0.833 0.974 0.769 CB 1.812 157 residues pruned to eliminate duplicates Z: 221 181.677 2.494 1.042 0.836 0.982 0.764 CB 1.833 221 residues pruned to eliminate duplicates Z: 152 150.606 2.493 1.045 0.844 0.993 0.848 CB 1.801 152 residues pruned to eliminate duplicates Z: 152 156.713 2.486 1.148 0.843 0.993 0.801 CB 1.789 152 residues pruned to eliminate duplicates Z: 158 146.359 2.444 1.111 0.799 0.975 0.726 CB 1.788 158 residues pruned to eliminate duplicates Z: 221 180.661 2.493 1.063 0.823 0.982 0.764 CB 1.823 220 residues pruned to eliminate duplicates Z: 63 74.214 2.334 0.892 0.860 0.935 0.839 CB 1.677 63 residues pruned to eliminate duplicates Z: 72 87.796 2.432 0.853 0.826 0.930 0.803 CB 1.877 72 residues pruned to eliminate duplicates Z: 158 146.488 2.445 1.069 0.828 0.987 0.815 CB 1.762 158 residues pruned to eliminate duplicates Z: 155 146.910 2.451 1.114 0.827 0.987 0.727 CB 1.745 155 residues pruned to eliminate duplicates Z: 70 87.300 2.447 0.775 0.869 0.928 0.725 CB 1.905 70 residues pruned to eliminate duplicates Z: 71 89.157 2.468 0.766 0.846 0.957 0.814 CB 1.899 71 residues pruned to eliminate duplicates Z: 221 178.938 2.495 1.017 0.830 0.977 0.795 CB 1.844 221 residues pruned to eliminate duplicates Z: 138 146.583 2.526 1.014 0.835 0.964 0.810 CB 1.914 139 residues pruned to eliminate duplicates Z: 63 78.947 2.405 0.728 0.898 0.984 0.790 CB 1.754 63 residues pruned to eliminate duplicates Z: 117 124.288 2.492 0.881 0.840 0.957 0.733 CB 1.920 117 residues pruned to eliminate duplicates Z: 222 178.925 2.497 1.024 0.835 0.968 0.738 CB 1.842 222 residues pruned to eliminate duplicates Z: 220 185.390 2.504 1.058 0.838 0.991 0.790 CB 1.835 220 residues pruned to eliminate duplicates Z: 90 117.052 2.500 0.951 0.845 1.000 0.753 CB 1.890 90 residues pruned to eliminate duplicates Z: 221 180.077 2.500 1.020 0.836 0.982 0.832 CB 1.834 221 residues pruned to eliminate duplicates Z: 220 181.913 2.506 1.038 0.829 0.982 0.817 CB 1.845 220 residues pruned to eliminate duplicates Z: 221 183.939 2.499 1.063 0.835 0.982 0.773 CB 1.835 221 residues pruned to eliminate duplicates Z: 220 189.514 2.506 1.109 0.831 0.986 0.804 CB 1.845 220 residues pruned to eliminate duplicates Z: 35 63.049 2.499 0.656 0.889 1.000 0.853 CB 1.882 35 residues pruned to eliminate duplicates Z: 116 128.457 2.493 0.911 0.845 0.983 0.800 CB 1.902 116 residues pruned to eliminate duplicates Z: 222 186.351 2.497 1.085 0.838 0.982 0.774 CB 1.832 220 residues pruned to eliminate duplicates Z: 18 48.309 2.523 0.765 0.832 1.000 0.588 CB 1.975 18 residues pruned to eliminate duplicates Z: 68 89.450 2.473 0.868 0.829 0.955 0.687 CB 1.863 68 residues pruned to eliminate duplicates Z: 221 179.742 2.491 1.024 0.834 0.986 0.750 CB 1.826 221 residues pruned to eliminate duplicates Z: 152 136.324 2.469 0.912 0.809 0.974 0.748 CB 1.844 152 residues pruned to eliminate duplicates Z: 55 91.014 2.569 0.906 0.826 0.981 0.852 CB 1.944 56 residues pruned to eliminate duplicates Z: 64 76.889 2.372 0.718 0.884 0.984 0.698 CB 1.745 64 residues pruned to eliminate duplicates Z: 54 81.446 2.519 0.853 0.807 0.962 0.811 CB 1.907 54 residues pruned to eliminate duplicates Z: 57 83.446 2.483 1.068 0.785 0.929 0.714 CB 1.820 57 residues pruned to eliminate duplicates Z: 221 186.438 2.501 1.079 0.839 0.986 0.795 CB 1.830 221 residues pruned to eliminate duplicates Z: 31 66.098 2.592 0.710 0.896 1.000 0.833 CB 1.952 31 residues pruned to eliminate duplicates Z: 221 183.547 2.494 1.099 0.822 0.982 0.764 CB 1.821 221 residues pruned to eliminate duplicates Z: 53 81.349 2.502 0.919 0.808 0.962 0.827 CB 1.869 53 residues pruned to eliminate duplicates Z: 54 78.682 2.476 0.911 0.774 0.943 0.830 CB 1.901 54 residues pruned to eliminate duplicates Z: 208 180.009 2.513 1.058 0.842 0.986 0.802 CB 1.829 208 residues pruned to eliminate duplicates Z: 54 69.255 2.471 0.807 0.764 0.906 0.792 CB 1.860 54 residues pruned to eliminate duplicates Z: 139 136.569 2.506 0.965 0.823 0.949 0.775 CB 1.880 139 residues pruned to eliminate duplicates Z: 218 173.509 2.473 1.035 0.818 0.977 0.756 CB 1.817 218 residues pruned to eliminate duplicates Z: 56 86.599 2.527 0.887 0.804 0.982 0.764 CB 1.912 56 residues pruned to eliminate duplicates Z: 59 80.968 2.471 0.973 0.777 0.948 0.776 CB 1.800 59 residues pruned to eliminate duplicates Z: 42 81.502 2.578 1.049 0.808 0.951 0.829 CB 1.937 42 residues pruned to eliminate duplicates Z: 43 80.728 2.550 1.080 0.809 0.952 0.810 CB 1.885 43 residues pruned to eliminate duplicates Z: 44 79.139 2.489 1.111 0.796 0.953 0.791 CB 1.859 44 residues pruned to eliminate duplicates Z: 53 84.974 2.516 1.048 0.813 0.942 0.808 CB 1.849 53 residues pruned to eliminate duplicates Z: 143 135.229 2.490 0.903 0.819 0.979 0.796 CB 1.855 143 residues pruned to eliminate duplicates Z: 220 183.591 2.509 1.065 0.831 0.977 0.772 CB 1.841 220 residues pruned to eliminate duplicates Z: 22 67.873 2.475 1.180 0.942 0.952 0.905 CA 1.999 22 residues pruned to eliminate duplicates Z: 45 76.044 2.487 1.089 0.775 0.955 0.841 CB 1.814 45 residues pruned to eliminate duplicates Z: 44 79.661 2.509 1.122 0.790 0.953 0.791 CB 1.856 44 residues pruned to eliminate duplicates Z: 138 143.161 2.530 0.998 0.830 0.956 0.737 CB 1.903 138 residues pruned to eliminate duplicates Z: 220 181.445 2.507 1.057 0.834 0.977 0.767 CB 1.824 220 residues pruned to eliminate duplicates Z: 115 127.792 2.508 0.942 0.824 0.974 0.781 CB 1.906 115 residues pruned to eliminate duplicates Z: 44 75.357 2.492 1.060 0.788 0.930 0.744 CB 1.868 44 residues pruned to eliminate duplicates Z: 214 172.588 2.486 1.085 0.805 0.967 0.756 CB 1.808 214 residues pruned to eliminate duplicates Z: 127 130.573 2.498 0.925 0.830 0.960 0.802 CB 1.894 127 residues pruned to eliminate duplicates Z: 54 95.922 2.593 1.003 0.830 0.962 0.830 CB 1.982 55 residues pruned to eliminate duplicates Z: 22 66.241 2.466 1.178 0.945 0.952 0.857 CA 1.956 22 residues pruned to eliminate duplicates Z: 220 176.632 2.492 1.022 0.834 0.982 0.804 CB 1.809 220 residues pruned to eliminate duplicates Z: 119 128.138 2.489 0.932 0.830 0.975 0.780 CB 1.893 119 residues pruned to eliminate duplicates Z: 56 77.094 2.446 0.991 0.773 0.909 0.764 CB 1.844 56 residues pruned to eliminate duplicates Z: 140 135.531 2.457 0.974 0.824 0.986 0.691 CB 1.817 140 residues pruned to eliminate duplicates Z: 221 178.378 2.486 1.035 0.825 0.986 0.782 CB 1.820 221 residues pruned to eliminate duplicates Z: 222 178.663 2.482 1.065 0.832 0.973 0.801 CB 1.810 222 residues pruned to eliminate duplicates Z: 16 25.549 1.968 0.727 0.717 1.000 0.800 CB 1.594 16 residues pruned to eliminate duplicates Z: 52 79.807 2.462 1.031 0.768 0.941 0.804 CB 1.873 52 residues pruned to eliminate duplicates Z: 15 19.270 1.959 0.808 0.725 0.857 0.857 CB 1.385 15 residues pruned to eliminate duplicates Z: 216 159.222 2.426 1.015 0.794 0.953 0.744 CB 1.801 216 residues pruned to eliminate duplicates Z: 55 67.814 2.382 0.972 0.724 0.926 0.778 CB 1.733 55 residues pruned to eliminate duplicates Z: 140 142.693 2.503 0.999 0.831 0.971 0.755 CB 1.870 140 residues pruned to eliminate duplicates Z: 54 76.091 2.449 1.025 0.769 0.906 0.774 CB 1.835 54 residues pruned to eliminate duplicates Z: 149 136.994 2.437 1.009 0.792 0.966 0.716 CB 1.843 149 residues pruned to eliminate duplicates Z: 153 144.145 2.476 1.007 0.809 0.974 0.730 CB 1.846 153 residues pruned to eliminate duplicates Z: 14 30.931 2.048 1.393 0.780 0.923 0.692 CB 1.482 13 residues pruned to eliminate duplicates Z: 12 29.407 2.110 1.010 0.910 0.909 0.818 CB 1.631 12 residues pruned to eliminate duplicates 217 residues left after pruning, divided into chains as follows: A: 184 B: 33 CC for partial structure against native data = 42.31 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.664, Connect. = 0.802 for dens.mod. cycle 1 = 0.300, Contrast = 0.752, Connect. = 0.825 for dens.mod. cycle 2 = 0.300, Contrast = 0.917, Connect. = 0.850 for dens.mod. cycle 3 = 0.300, Contrast = 0.935, Connect. = 0.853 for dens.mod. cycle 4 = 0.300, Contrast = 0.951, Connect. = 0.855 for dens.mod. cycle 5 = 0.300, Contrast = 0.956, Connect. = 0.856 for dens.mod. cycle 6 = 0.300, Contrast = 0.962, Connect. = 0.857 for dens.mod. cycle 7 = 0.300, Contrast = 0.963, Connect. = 0.858 for dens.mod. cycle 8 = 0.300, Contrast = 0.965, Connect. = 0.858 for dens.mod. cycle 9 = 0.300, Contrast = 0.966, Connect. = 0.859 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1584 peaks > 0.5 sigma used to seed fragment search Space for about 385 unique residues taking solvent into account 308 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 9 39.475 2.808 0.717 0.853 1.000 0.875 CB 2.140 B: 28 69.222 2.634 1.212 0.824 0.852 0.593 CB 2.027 9 residues pruned to eliminate duplicates C: 29 70.056 2.461 1.078 0.919 1.000 0.750 CB 1.824 D: 31 62.576 2.397 1.023 0.893 0.967 0.733 CB 1.749 31 residues pruned to eliminate duplicates E: 28 68.247 2.620 1.040 0.828 0.889 0.704 CB 2.082 28 residues pruned to eliminate duplicates F: 29 73.909 2.622 1.012 0.884 0.929 0.786 CA 2.060 30 residues pruned to eliminate duplicates G: 24 44.771 2.481 0.568 0.843 0.913 0.696 CB 1.957 H: 20 50.602 2.476 0.990 0.796 0.947 0.579 CB 1.919 20 residues pruned to eliminate duplicates I: 22 64.934 2.473 1.114 0.923 0.952 0.810 CA 1.999 J: 29 73.126 2.607 0.916 0.888 0.964 0.714 CA 2.067 29 residues pruned to eliminate duplicates K: 33 76.381 2.474 0.983 0.944 1.000 0.938 CB 1.905 L: 12 38.106 2.519 0.902 0.795 0.909 0.727 CB 2.036 12 residues pruned to eliminate duplicates M: 22 58.236 2.554 1.082 0.803 0.905 0.714 CA 2.027 22 residues pruned to eliminate duplicates N: 22 63.030 2.468 0.962 0.937 1.000 1.000 CA 1.978 22 residues pruned to eliminate duplicates O: 62 69.292 2.340 0.707 0.860 0.934 0.721 CB 1.748 24 residues pruned to eliminate duplicates P: 20 60.699 2.507 1.044 0.863 1.000 0.842 CB 1.994 20 residues pruned to eliminate duplicates Q: 29 66.897 2.613 0.953 0.830 0.893 0.571 CB 2.087 29 residues pruned to eliminate duplicates R: 29 53.334 2.382 0.932 0.826 0.893 0.679 CB 1.849 29 residues pruned to eliminate duplicates S: 23 56.745 2.378 1.060 0.940 0.909 0.864 CB 1.887 23 residues pruned to eliminate duplicates T: 28 46.844 2.259 0.752 0.948 1.000 0.741 CB 1.574 28 residues pruned to eliminate duplicates U: 64 75.463 2.359 0.711 0.893 0.968 0.746 CB 1.746 62 residues pruned to eliminate duplicates V: 30 71.541 2.473 1.066 0.907 1.000 0.724 CB 1.848 29 residues pruned to eliminate duplicates W: 22 58.449 2.486 0.859 0.941 1.000 0.905 CA 1.915 22 residues pruned to eliminate duplicates X: 30 55.932 2.491 0.626 0.888 0.966 0.759 CB 1.912 30 residues pruned to eliminate duplicates Y: 33 82.771 2.493 1.163 0.957 1.000 0.969 CB 1.862 33 residues pruned to eliminate duplicates Z: 22 64.627 2.509 1.184 0.912 0.952 0.857 CB 1.914 22 residues pruned to eliminate duplicates Z: 27 52.696 2.490 0.889 0.808 0.846 0.577 CB 1.986 27 residues pruned to eliminate duplicates Z: 63 79.472 2.391 0.823 0.888 0.984 0.774 CB 1.695 63 residues pruned to eliminate duplicates Z: 23 48.382 2.391 0.696 0.912 1.000 0.955 CB 1.801 Z: 29 69.968 2.625 0.940 0.869 0.929 0.857 CA 2.042 29 residues pruned to eliminate duplicates Z: 33 83.359 2.493 1.229 0.945 1.000 0.938 CB 1.835 33 residues pruned to eliminate duplicates Z: 18 63.889 2.593 1.367 0.874 0.882 0.706 CB 2.081 18 residues pruned to eliminate duplicates Z: 30 66.931 2.473 0.912 0.930 1.000 1.000 CB 1.838 30 residues pruned to eliminate duplicates Z: 35 62.625 2.481 0.697 0.884 1.000 0.676 CB 1.843 35 residues pruned to eliminate duplicates Z: 28 66.667 2.607 1.186 0.840 0.852 0.667 CB 1.972 28 residues pruned to eliminate duplicates Z: 34 72.360 2.464 1.106 0.953 0.970 0.848 CB 1.723 34 residues pruned to eliminate duplicates Z: 35 76.260 2.408 1.133 0.950 1.000 0.912 CB 1.757 35 residues pruned to eliminate duplicates Z: 35 61.759 2.480 0.707 0.858 1.000 0.735 CB 1.843 35 residues pruned to eliminate duplicates Z: 64 78.859 2.379 0.704 0.902 1.000 0.825 CB 1.748 65 residues pruned to eliminate duplicates Z: 21 76.692 2.578 1.365 0.930 0.950 0.950 CB 2.070 21 residues pruned to eliminate duplicates Z: 30 56.784 2.458 0.712 0.904 0.966 0.897 CB 1.849 30 residues pruned to eliminate duplicates Z: 34 77.856 2.456 1.091 0.946 1.000 0.818 CB 1.825 34 residues pruned to eliminate duplicates Z: 32 87.370 2.545 1.356 0.956 1.000 0.806 CB 1.797 33 residues pruned to eliminate duplicates Z: 22 59.906 2.467 1.010 0.934 0.952 0.857 CA 1.931 22 residues pruned to eliminate duplicates Z: 30 59.743 2.465 0.731 0.914 1.000 0.897 CB 1.839 30 residues pruned to eliminate duplicates Z: 20 44.715 2.436 0.999 0.843 0.842 0.632 CA 1.863 20 residues pruned to eliminate duplicates Z: 22 54.345 2.456 0.870 0.951 0.905 0.905 CA 1.967 22 residues pruned to eliminate duplicates Z: 32 77.256 2.546 0.984 0.963 1.000 0.903 CB 1.878 32 residues pruned to eliminate duplicates Z: 30 52.628 2.464 0.689 0.880 0.966 0.931 CB 1.762 30 residues pruned to eliminate duplicates Z: 23 57.592 2.390 1.126 0.900 0.909 0.864 CA 1.898 23 residues pruned to eliminate duplicates Z: 25 56.099 2.292 1.050 0.906 0.958 0.750 CB 1.809 25 residues pruned to eliminate duplicates Z: 52 59.862 2.342 0.557 0.892 0.961 0.784 CB 1.719 52 residues pruned to eliminate duplicates Z: 13 41.709 2.498 1.289 0.903 0.917 0.750 CB 1.637 13 residues pruned to eliminate duplicates Z: 52 62.026 2.362 0.532 0.913 0.980 0.784 CB 1.734 52 residues pruned to eliminate duplicates Z: 30 58.487 2.450 0.831 0.907 1.000 0.828 CB 1.722 30 residues pruned to eliminate duplicates Z: 23 46.571 2.387 0.771 0.889 0.955 0.864 CB 1.772 23 residues pruned to eliminate duplicates Z: 23 63.737 2.395 1.085 0.943 1.000 0.818 CA 1.887 23 residues pruned to eliminate duplicates Z: 32 80.695 2.546 1.078 0.957 1.000 0.903 CB 1.880 32 residues pruned to eliminate duplicates Z: 22 64.249 2.459 1.001 0.947 1.000 0.905 CA 1.969 22 residues pruned to eliminate duplicates Z: 28 49.977 2.369 0.754 0.905 0.963 0.963 CB 1.711 28 residues pruned to eliminate duplicates Z: 25 51.855 2.298 1.077 0.923 0.917 0.833 CB 1.700 25 residues pruned to eliminate duplicates Z: 33 83.694 2.488 1.304 0.940 0.969 0.906 CB 1.851 33 residues pruned to eliminate duplicates Z: 14 32.499 2.484 0.346 0.858 1.000 0.846 CB 1.985 14 residues pruned to eliminate duplicates Z: 33 85.951 2.470 1.328 0.947 1.000 0.844 CB 1.826 33 residues pruned to eliminate duplicates Z: 22 76.713 2.477 1.318 0.925 1.000 0.905 CA 2.046 22 residues pruned to eliminate duplicates Z: 19 64.204 2.612 1.104 0.850 1.000 0.722 CB 2.040 19 residues pruned to eliminate duplicates Z: 34 81.204 2.440 1.231 0.949 1.000 0.939 CB 1.792 34 residues pruned to eliminate duplicates Z: 35 53.223 2.188 0.909 0.869 0.971 0.735 CB 1.644 34 residues pruned to eliminate duplicates Z: 46 55.872 2.244 0.828 0.876 0.933 0.778 CB 1.582 46 residues pruned to eliminate duplicates Z: 30 51.502 2.427 0.519 0.914 1.000 0.931 CB 1.834 30 residues pruned to eliminate duplicates Z: 64 71.854 2.301 0.735 0.887 0.952 0.683 CB 1.716 64 residues pruned to eliminate duplicates Z: 43 74.141 2.519 1.013 0.801 0.952 0.810 CB 1.822 31 residues pruned to eliminate duplicates Z: 30 70.533 2.465 1.059 0.921 1.000 0.690 CB 1.817 30 residues pruned to eliminate duplicates Z: 21 67.189 2.540 1.002 0.952 1.000 0.900 CB 2.035 21 residues pruned to eliminate duplicates Z: 14 37.767 2.462 0.762 0.916 1.000 0.846 CB 1.705 14 residues pruned to eliminate duplicates Z: 23 46.904 2.538 0.529 0.861 0.955 0.682 CB 1.983 23 residues pruned to eliminate duplicates Z: 22 48.745 2.479 0.767 0.905 1.000 0.905 CB 1.729 22 residues pruned to eliminate duplicates Z: 34 78.550 2.449 1.223 0.955 1.000 0.879 CB 1.726 34 residues pruned to eliminate duplicates Z: 29 61.199 2.520 0.785 0.920 1.000 0.893 CB 1.811 29 residues pruned to eliminate duplicates Z: 13 27.156 2.052 0.847 0.876 1.000 0.667 CB 1.503 12 residues pruned to eliminate duplicates Z: 34 72.260 2.425 1.004 0.943 0.970 0.909 CB 1.849 34 residues pruned to eliminate duplicates Z: 10 46.034 2.435 1.262 0.924 1.000 0.778 CA 1.957 9 residues pruned to eliminate duplicates Z: 12 29.691 2.151 0.834 0.903 1.000 0.727 CB 1.617 12 residues pruned to eliminate duplicates Z: 12 26.735 2.139 0.728 0.891 1.000 0.818 CB 1.568 12 residues pruned to eliminate duplicates Z: 11 24.529 2.222 0.742 0.871 0.900 0.800 CB 1.625 11 residues pruned to eliminate duplicates Z: 28 50.021 2.373 0.583 0.945 1.000 0.963 CB 1.774 28 residues pruned to eliminate duplicates Z: 22 56.791 2.435 0.907 0.928 1.000 0.905 CB 1.869 22 residues pruned to eliminate duplicates Z: 18 38.866 2.415 0.780 0.882 0.941 0.765 CB 1.687 18 residues pruned to eliminate duplicates Z: 34 78.548 2.435 1.184 0.944 1.000 0.879 CB 1.781 34 residues pruned to eliminate duplicates Z: 51 64.782 2.379 0.651 0.879 0.960 0.780 CB 1.763 51 residues pruned to eliminate duplicates Z: 34 87.526 2.422 1.387 0.949 1.000 0.848 CB 1.819 32 residues pruned to eliminate duplicates Z: 22 70.514 2.505 1.320 0.915 0.952 0.905 CB 1.964 22 residues pruned to eliminate duplicates Z: 52 69.960 2.384 0.689 0.896 0.980 0.824 CB 1.778 52 residues pruned to eliminate duplicates Z: 26 61.423 2.276 1.219 0.912 0.960 0.760 CB 1.794 26 residues pruned to eliminate duplicates Z: 31 49.587 2.384 0.637 0.874 0.967 0.867 CB 1.746 31 residues pruned to eliminate duplicates Z: 22 55.407 2.439 1.017 0.906 1.000 0.762 CB 1.748 23 residues pruned to eliminate duplicates Z: 62 72.040 2.372 0.710 0.877 0.951 0.770 CB 1.737 62 residues pruned to eliminate duplicates Z: 17 47.708 2.456 0.946 0.832 1.000 0.438 CB 1.874 17 residues pruned to eliminate duplicates Z: 21 58.370 2.534 0.925 0.955 0.950 0.900 CB 1.936 21 residues pruned to eliminate duplicates Z: 22 63.829 2.434 1.191 0.948 0.952 0.857 CA 1.893 22 residues pruned to eliminate duplicates Z: 8 28.128 2.568 0.874 0.872 1.000 0.714 CB 1.610 8 residues pruned to eliminate duplicates Z: 23 48.482 2.379 0.797 0.906 1.000 0.773 CB 1.720 23 residues pruned to eliminate duplicates Z: 22 67.884 2.488 1.185 0.922 0.952 0.952 CB 2.011 22 residues pruned to eliminate duplicates Z: 30 48.863 2.241 0.682 0.933 1.000 0.897 CB 1.681 30 residues pruned to eliminate duplicates Z: 22 51.571 2.479 0.830 0.900 1.000 0.952 CB 1.771 22 residues pruned to eliminate duplicates Z: 29 47.105 2.249 0.779 0.934 0.964 0.857 CB 1.609 29 residues pruned to eliminate duplicates Z: 35 54.463 2.476 0.586 0.847 0.971 0.676 CB 1.819 35 residues pruned to eliminate duplicates Z: 30 50.014 2.239 0.763 0.941 1.000 0.897 CB 1.633 30 residues pruned to eliminate duplicates Z: 50 62.979 2.359 0.720 0.891 0.918 0.755 CB 1.736 50 residues pruned to eliminate duplicates Z: 33 49.128 2.216 0.732 0.899 1.000 0.844 CB 1.618 33 residues pruned to eliminate duplicates Z: 30 56.531 2.565 0.574 0.909 0.966 0.931 CB 1.911 30 residues pruned to eliminate duplicates Z: 33 78.667 2.455 1.114 0.950 1.000 0.938 CB 1.848 34 residues pruned to eliminate duplicates Z: 27 47.144 2.449 0.405 0.940 1.000 1.000 CB 1.866 27 residues pruned to eliminate duplicates Z: 21 52.574 2.543 0.920 0.853 0.900 0.850 CA 1.978 21 residues pruned to eliminate duplicates Z: 23 52.640 2.384 0.913 0.905 1.000 0.727 CB 1.752 22 residues pruned to eliminate duplicates Z: 30 67.816 2.444 1.147 0.912 1.000 0.759 CB 1.700 30 residues pruned to eliminate duplicates Z: 139 133.464 2.473 1.023 0.807 0.949 0.725 CB 1.829 143 residues pruned to eliminate duplicates Z: 12 33.581 2.360 0.964 0.860 0.909 0.727 CA 1.766 12 residues pruned to eliminate duplicates Z: 31 60.756 2.398 1.004 0.892 0.967 0.667 CB 1.715 31 residues pruned to eliminate duplicates Z: 30 59.974 2.445 0.857 0.932 1.000 0.966 CB 1.713 30 residues pruned to eliminate duplicates Z: 34 84.360 2.411 1.312 0.933 1.000 0.848 CB 1.839 34 residues pruned to eliminate duplicates Z: 32 88.254 2.562 1.291 0.968 1.000 0.903 CB 1.839 32 residues pruned to eliminate duplicates Z: 64 81.526 2.384 0.773 0.903 0.984 0.794 CB 1.760 64 residues pruned to eliminate duplicates Z: 34 74.617 2.439 1.061 0.949 1.000 0.879 CB 1.782 34 residues pruned to eliminate duplicates Z: 29 51.562 2.283 0.953 0.858 0.893 0.643 CB 1.802 29 residues pruned to eliminate duplicates Z: 29 54.021 2.519 0.558 0.913 1.000 0.964 CB 1.841 29 residues pruned to eliminate duplicates Z: 51 68.068 2.370 0.713 0.890 0.960 0.760 CB 1.777 51 residues pruned to eliminate duplicates Z: 15 27.447 2.090 1.074 0.713 0.929 0.786 CB 1.503 15 residues pruned to eliminate duplicates Z: 22 48.584 2.415 0.778 0.886 1.000 0.762 CB 1.782 22 residues pruned to eliminate duplicates Z: 29 49.643 2.271 0.734 0.927 1.000 0.893 CB 1.669 29 residues pruned to eliminate duplicates Z: 33 86.122 2.500 1.333 0.959 1.000 0.812 CB 1.789 33 residues pruned to eliminate duplicates Z: 22 53.617 2.410 1.014 0.895 1.000 0.762 CB 1.727 22 residues pruned to eliminate duplicates Z: 64 66.620 2.349 0.570 0.893 0.984 0.746 CB 1.659 64 residues pruned to eliminate duplicates Z: 20 47.776 2.554 0.595 0.881 1.000 0.789 CB 1.947 20 residues pruned to eliminate duplicates Z: 22 48.438 2.440 0.774 0.886 1.000 0.810 CB 1.761 22 residues pruned to eliminate duplicates Z: 23 52.701 2.404 0.906 0.922 1.000 0.864 CB 1.724 23 residues pruned to eliminate duplicates Z: 11 30.680 2.181 0.849 0.905 1.000 0.900 CA 1.713 12 residues pruned to eliminate duplicates Z: 22 42.379 2.446 0.551 0.900 1.000 0.905 CB 1.742 22 residues pruned to eliminate duplicates Z: 61 99.065 2.529 0.979 0.915 0.983 0.800 CB 1.836 63 residues pruned to eliminate duplicates Z: 33 70.048 2.489 0.946 0.948 1.000 0.969 CB 1.766 33 residues pruned to eliminate duplicates Z: 12 21.614 2.129 0.512 0.884 0.909 0.727 CA 1.608 11 residues pruned to eliminate duplicates Z: 63 79.890 2.397 0.846 0.875 0.952 0.758 CB 1.752 63 residues pruned to eliminate duplicates Z: 34 85.274 2.447 1.255 0.961 1.000 0.909 CB 1.841 34 residues pruned to eliminate duplicates Z: 29 62.425 2.601 0.920 0.805 0.893 0.571 CB 2.028 29 residues pruned to eliminate duplicates Z: 22 53.855 2.450 1.014 0.897 1.000 0.952 CB 1.704 22 residues pruned to eliminate duplicates Z: 11 20.956 2.057 0.472 0.895 1.000 0.800 CB 1.568 11 residues pruned to eliminate duplicates Z: 22 30.794 2.230 0.474 0.822 0.857 0.667 CB 1.804 22 residues pruned to eliminate duplicates Z: 22 42.960 2.461 0.555 0.902 1.000 1.000 CB 1.747 22 residues pruned to eliminate duplicates Z: 23 40.924 2.402 0.523 0.864 0.955 0.773 CB 1.832 23 residues pruned to eliminate duplicates Z: 14 36.399 2.418 0.908 0.875 1.000 0.923 CB 1.591 14 residues pruned to eliminate duplicates Z: 14 40.538 2.348 1.022 0.902 0.923 0.538 CB 1.830 14 residues pruned to eliminate duplicates Z: 32 82.524 2.499 1.293 0.950 1.000 0.903 CB 1.784 32 residues pruned to eliminate duplicates Z: 27 65.725 2.441 1.194 0.926 0.962 0.769 CB 1.755 27 residues pruned to eliminate duplicates Z: 63 76.003 2.367 0.773 0.880 0.984 0.661 CB 1.694 63 residues pruned to eliminate duplicates Z: 31 45.209 2.212 0.781 0.888 0.967 0.800 CB 1.562 31 residues pruned to eliminate duplicates Z: 46 67.103 2.323 0.844 0.902 0.978 0.711 CB 1.705 46 residues pruned to eliminate duplicates Z: 23 47.340 2.368 0.704 0.879 1.000 0.909 CB 1.814 23 residues pruned to eliminate duplicates Z: 33 77.332 2.487 1.067 0.952 1.000 0.844 CB 1.832 33 residues pruned to eliminate duplicates Z: 29 37.524 2.209 0.482 0.933 1.000 0.857 CB 1.511 29 residues pruned to eliminate duplicates Z: 29 51.115 2.275 0.789 0.943 1.000 0.857 CB 1.645 29 residues pruned to eliminate duplicates Z: 34 53.326 2.492 0.542 0.871 1.000 0.758 CB 1.761 34 residues pruned to eliminate duplicates Z: 22 50.163 2.461 0.783 0.917 1.000 0.810 CB 1.762 22 residues pruned to eliminate duplicates Z: 9 25.601 2.382 0.891 0.867 1.000 0.375 CB 1.471 9 residues pruned to eliminate duplicates Z: 30 57.065 2.403 0.820 0.914 1.000 0.793 CB 1.714 30 residues pruned to eliminate duplicates Z: 90 100.654 2.456 0.865 0.812 0.978 0.697 CB 1.816 90 residues pruned to eliminate duplicates Z: 27 54.443 2.401 1.037 0.914 0.962 0.846 CB 1.606 27 residues pruned to eliminate duplicates Z: 107 112.967 2.515 0.936 0.806 0.981 0.792 CB 1.759 96 residues pruned to eliminate duplicates Z: 11 21.787 2.325 0.597 0.894 1.000 1.000 CB 1.331 11 residues pruned to eliminate duplicates Z: 12 23.139 2.124 0.453 0.898 1.000 0.727 CB 1.617 12 residues pruned to eliminate duplicates Z: 64 73.909 2.339 0.637 0.902 0.984 0.794 CB 1.764 64 residues pruned to eliminate duplicates Z: 50 60.333 2.350 0.732 0.885 0.878 0.673 CB 1.742 50 residues pruned to eliminate duplicates Z: 30 69.017 2.451 0.980 0.915 1.000 0.759 CB 1.866 30 residues pruned to eliminate duplicates Z: 22 64.018 2.455 1.161 0.928 0.952 0.810 CB 1.937 22 residues pruned to eliminate duplicates Z: 35 61.766 2.486 0.664 0.891 0.971 0.765 CB 1.897 35 residues pruned to eliminate duplicates Z: 22 41.213 2.421 0.676 0.838 0.952 0.762 CB 1.739 22 residues pruned to eliminate duplicates Z: 12 28.298 2.147 0.830 0.887 1.000 0.727 CB 1.565 12 residues pruned to eliminate duplicates Z: 7 8.896 1.747 0.530 0.679 1.000 0.833 CB 1.153 7 residues pruned to eliminate duplicates Z: 64 73.285 2.367 0.724 0.887 0.952 0.762 CB 1.714 64 residues pruned to eliminate duplicates Z: 8 25.176 2.498 0.753 0.800 1.000 0.857 CB 1.671 8 residues pruned to eliminate duplicates Z: 33 79.424 2.497 1.122 0.961 1.000 0.906 CB 1.813 33 residues pruned to eliminate duplicates Z: 32 50.660 2.248 0.763 0.901 1.000 0.806 CB 1.639 32 residues pruned to eliminate duplicates Z: 12 23.765 2.104 0.655 0.924 1.000 0.818 CB 1.446 12 residues pruned to eliminate duplicates Z: 118 123.713 2.483 1.001 0.806 0.949 0.744 CB 1.859 118 residues pruned to eliminate duplicates Z: 78 87.216 2.454 0.925 0.790 0.961 0.753 CB 1.697 78 residues pruned to eliminate duplicates Z: 104 105.703 2.497 0.955 0.789 0.942 0.767 CB 1.758 104 residues pruned to eliminate duplicates Z: 106 122.470 2.498 1.153 0.820 0.971 0.724 CB 1.733 105 residues pruned to eliminate duplicates Z: 12 23.036 2.073 0.566 0.919 1.000 0.818 CB 1.507 12 residues pruned to eliminate duplicates Z: 31 56.498 2.509 0.577 0.912 1.000 0.867 CB 1.847 31 residues pruned to eliminate duplicates Z: 16 20.297 2.174 0.709 0.566 0.800 0.533 CB 1.655 16 residues pruned to eliminate duplicates Z: 23 71.003 2.378 1.324 0.942 1.000 0.909 CA 1.900 23 residues pruned to eliminate duplicates Z: 35 78.501 2.420 1.133 0.952 1.000 0.941 CB 1.796 35 residues pruned to eliminate duplicates Z: 6 3.708 1.966 0.364 0.380 0.600 0.200 CB 1.171 6 residues pruned to eliminate duplicates Z: 12 22.582 2.040 0.831 0.928 0.909 0.818 CB 1.404 12 residues pruned to eliminate duplicates Z: 29 53.380 2.522 0.605 0.894 1.000 0.857 CB 1.787 29 residues pruned to eliminate duplicates Z: 29 70.274 2.538 1.000 0.923 1.000 0.893 CB 1.838 29 residues pruned to eliminate duplicates Z: 46 62.271 2.270 0.841 0.880 0.956 0.756 CB 1.684 46 residues pruned to eliminate duplicates Z: 23 45.250 2.372 0.660 0.901 1.000 0.864 CB 1.749 23 residues pruned to eliminate duplicates Z: 63 76.248 2.380 0.743 0.892 0.968 0.726 CB 1.732 63 residues pruned to eliminate duplicates Z: 29 47.600 2.243 0.755 0.928 1.000 0.857 CB 1.600 29 residues pruned to eliminate duplicates Z: 20 44.036 2.377 0.864 0.808 0.947 0.579 CB 1.840 20 residues pruned to eliminate duplicates Z: 126 137.720 2.535 1.107 0.791 0.984 0.704 CB 1.815 127 residues pruned to eliminate duplicates 6 1.648 1.515 0.021 0.350 0.600 0.400 N 0.934 ? Z: 34 83.333 2.435 1.245 0.946 1.000 0.818 CB 1.836 34 residues pruned to eliminate duplicates Z: 41 54.502 2.428 0.847 0.725 0.925 0.800 CB 1.696 41 residues pruned to eliminate duplicates Z: 99 113.527 2.502 0.857 0.830 0.990 0.704 CB 1.874 99 residues pruned to eliminate duplicates Z: 22 50.677 2.414 0.824 0.898 1.000 0.857 CB 1.796 22 residues pruned to eliminate duplicates Z: 47 46.720 2.221 0.534 0.855 0.870 0.804 CB 1.716 47 residues pruned to eliminate duplicates Z: 106 127.984 2.524 1.118 0.823 0.990 0.810 CB 1.783 106 residues pruned to eliminate duplicates Z: 63 71.447 2.378 0.569 0.897 0.984 0.806 CB 1.769 63 residues pruned to eliminate duplicates Z: 18 29.294 2.252 0.733 0.599 1.000 0.824 CB 1.657 18 residues pruned to eliminate duplicates Z: 12 22.990 2.121 0.818 0.891 0.909 0.636 CB 1.421 12 residues pruned to eliminate duplicates Z: 28 43.998 2.351 0.533 0.916 0.963 0.963 CB 1.722 28 residues pruned to eliminate duplicates Z: 44 72.313 2.399 1.151 0.779 0.977 0.721 CB 1.710 44 residues pruned to eliminate duplicates Z: 221 173.368 2.484 1.036 0.827 0.968 0.764 CB 1.799 221 residues pruned to eliminate duplicates Z: 35 46.424 2.172 0.674 0.885 0.941 0.882 CB 1.679 35 residues pruned to eliminate duplicates Z: 21 45.267 2.317 0.720 0.867 1.000 0.850 CB 1.857 21 residues pruned to eliminate duplicates Z: 100 116.367 2.476 1.133 0.804 0.990 0.778 CB 1.715 100 residues pruned to eliminate duplicates Z: 22 39.183 2.378 0.959 0.640 1.000 0.714 CB 1.610 22 residues pruned to eliminate duplicates Z: 28 85.613 2.553 1.372 0.962 1.000 0.889 CB 1.861 28 residues pruned to eliminate duplicates Z: 14 19.951 2.136 0.726 0.498 0.923 0.462 CB 1.630 14 residues pruned to eliminate duplicates Z: 29 50.549 2.251 0.917 0.936 1.000 0.786 CB 1.542 29 residues pruned to eliminate duplicates Z: 19 46.877 2.514 0.746 0.917 0.944 0.722 CB 1.881 19 residues pruned to eliminate duplicates Z: 14 38.287 2.424 0.755 0.794 1.000 0.769 CB 1.929 14 residues pruned to eliminate duplicates Z: 108 116.555 2.506 0.930 0.829 0.944 0.748 CB 1.856 108 residues pruned to eliminate duplicates Z: 50 81.667 2.457 1.032 0.806 1.000 0.755 CB 1.789 50 residues pruned to eliminate duplicates Z: 58 101.084 2.511 1.177 0.835 1.000 0.772 CB 1.835 58 residues pruned to eliminate duplicates Z: 11 30.883 2.513 0.806 0.634 1.000 0.800 CA 1.897 11 residues pruned to eliminate duplicates Z: 88 101.694 2.454 1.049 0.789 0.977 0.793 CB 1.722 88 residues pruned to eliminate duplicates Z: 49 79.508 2.443 1.125 0.792 0.979 0.708 CB 1.748 49 residues pruned to eliminate duplicates Z: 14 39.959 2.269 1.079 0.902 1.000 0.923 CB 1.676 14 residues pruned to eliminate duplicates Z: 25 65.392 2.406 1.208 0.914 0.958 0.875 CB 1.855 25 residues pruned to eliminate duplicates Z: 64 80.555 2.409 0.834 0.806 0.952 0.714 CB 1.846 64 residues pruned to eliminate duplicates Z: 14 34.645 2.570 0.916 0.596 1.000 0.615 CB 1.781 14 residues pruned to eliminate duplicates Z: 57 98.545 2.469 1.188 0.832 1.000 0.804 CB 1.831 57 residues pruned to eliminate duplicates Z: 24 34.343 2.215 0.697 0.666 0.957 0.739 CB 1.708 24 residues pruned to eliminate duplicates Z: 27 67.774 2.568 1.077 0.782 1.000 0.731 CB 1.944 27 residues pruned to eliminate duplicates Z: 108 117.203 2.514 0.887 0.827 0.963 0.710 CB 1.869 108 residues pruned to eliminate duplicates Z: 44 61.243 2.321 1.227 0.684 0.930 0.605 CB 1.640 44 residues pruned to eliminate duplicates Z: 46 54.592 2.257 0.720 0.785 0.956 0.644 CB 1.707 46 residues pruned to eliminate duplicates Z: 8 7.686 2.183 0.188 0.626 0.857 0.714 CB 1.160 8 residues pruned to eliminate duplicates Z: 51 87.648 2.467 1.161 0.807 1.000 0.820 CB 1.779 51 residues pruned to eliminate duplicates Z: 114 122.067 2.459 1.153 0.779 0.973 0.743 CB 1.743 114 residues pruned to eliminate duplicates Z: 50 69.428 2.371 1.007 0.736 0.959 0.816 CB 1.758 50 residues pruned to eliminate duplicates Z: 17 25.065 2.150 0.951 0.791 0.812 0.438 CB 1.424 17 residues pruned to eliminate duplicates Z: 129 138.634 2.531 1.053 0.809 0.992 0.812 CB 1.816 129 residues pruned to eliminate duplicates Z: 50 67.513 2.459 0.983 0.732 0.959 0.714 CB 1.674 50 residues pruned to eliminate duplicates Z: 203 164.644 2.499 0.993 0.819 0.975 0.743 CB 1.808 203 residues pruned to eliminate duplicates Z: 29 73.696 2.531 1.188 0.924 1.000 0.821 CB 1.766 29 residues pruned to eliminate duplicates Z: 183 154.114 2.480 0.995 0.817 0.984 0.764 CB 1.782 183 residues pruned to eliminate duplicates Z: 11 26.688 2.143 0.829 0.827 0.900 0.700 C 1.804 11 residues pruned to eliminate duplicates Z: 167 140.722 2.487 0.914 0.827 0.970 0.759 CB 1.784 166 residues pruned to eliminate duplicates Z: 11 30.872 2.207 0.860 0.883 1.000 0.800 CB 1.719 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 19 57.137 2.532 1.125 0.835 0.944 0.667 CB 1.984 19 residues pruned to eliminate duplicates Z: 135 144.368 2.519 1.131 0.818 0.985 0.754 CB 1.789 135 residues pruned to eliminate duplicates Z: 138 141.615 2.524 0.974 0.840 0.971 0.774 CB 1.867 138 residues pruned to eliminate duplicates Z: 19 57.188 2.518 1.035 0.848 0.944 0.778 CA 2.065 19 residues pruned to eliminate duplicates Z: 218 174.974 2.500 1.026 0.839 0.963 0.756 CB 1.818 218 residues pruned to eliminate duplicates Z: 221 175.776 2.498 1.041 0.825 0.968 0.723 CB 1.811 221 residues pruned to eliminate duplicates Z: 173 160.824 2.511 1.033 0.849 0.977 0.738 CB 1.823 173 residues pruned to eliminate duplicates Z: 204 164.371 2.488 0.949 0.832 0.985 0.754 CB 1.812 204 residues pruned to eliminate duplicates Z: 136 129.346 2.477 0.957 0.794 0.970 0.726 CB 1.828 136 residues pruned to eliminate duplicates Z: 30 73.662 2.619 0.954 0.785 1.000 0.724 CA 2.079 30 residues pruned to eliminate duplicates Z: 56 91.408 2.565 1.087 0.747 0.964 0.673 CB 1.917 56 residues pruned to eliminate duplicates Z: 133 128.858 2.494 0.965 0.813 0.962 0.735 CB 1.811 133 residues pruned to eliminate duplicates Z: 119 119.768 2.487 0.866 0.840 0.958 0.754 CB 1.852 119 residues pruned to eliminate duplicates Z: 207 175.300 2.510 1.071 0.838 0.971 0.762 CB 1.808 207 residues pruned to eliminate duplicates Z: 51 79.227 2.430 0.938 0.845 0.980 0.680 CB 1.805 51 residues pruned to eliminate duplicates Z: 105 121.559 2.526 0.922 0.838 0.962 0.731 CB 1.908 105 residues pruned to eliminate duplicates Z: 221 179.865 2.503 1.011 0.839 0.991 0.755 CB 1.816 219 residues pruned to eliminate duplicates Z: 52 67.873 2.362 0.712 0.899 0.961 0.725 CB 1.750 52 residues pruned to eliminate duplicates Z: 151 146.776 2.484 1.065 0.836 0.993 0.740 CB 1.760 151 residues pruned to eliminate duplicates Z: 208 172.353 2.512 1.016 0.839 0.966 0.773 CB 1.829 208 residues pruned to eliminate duplicates Z: 153 149.709 2.469 1.120 0.823 0.993 0.750 CB 1.765 153 residues pruned to eliminate duplicates Z: 156 132.363 2.458 0.925 0.811 0.948 0.806 CB 1.807 158 residues pruned to eliminate duplicates Z: 64 73.340 2.341 0.725 0.891 0.968 0.730 CB 1.699 64 residues pruned to eliminate duplicates Z: 116 124.466 2.512 0.896 0.840 0.965 0.774 CB 1.884 116 residues pruned to eliminate duplicates Z: 49 72.923 2.391 0.847 0.863 0.958 0.771 CB 1.824 49 residues pruned to eliminate duplicates Z: 76 82.719 2.443 0.714 0.799 0.933 0.680 CB 1.881 76 residues pruned to eliminate duplicates Z: 129 136.952 2.537 0.977 0.822 0.969 0.766 CB 1.884 129 residues pruned to eliminate duplicates Z: 208 167.564 2.484 0.989 0.837 0.966 0.763 CB 1.825 208 residues pruned to eliminate duplicates Z: 219 175.504 2.514 0.991 0.836 0.972 0.761 CB 1.828 219 residues pruned to eliminate duplicates Z: 152 149.496 2.495 1.086 0.827 0.980 0.775 CB 1.797 152 residues pruned to eliminate duplicates Z: 208 177.814 2.514 1.016 0.840 0.995 0.754 CB 1.830 208 residues pruned to eliminate duplicates Z: 151 141.411 2.475 1.041 0.834 0.967 0.740 CB 1.772 151 residues pruned to eliminate duplicates Z: 208 173.424 2.515 1.026 0.834 0.966 0.773 CB 1.836 208 residues pruned to eliminate duplicates Z: 153 150.175 2.495 1.075 0.835 0.980 0.783 CB 1.798 153 residues pruned to eliminate duplicates Z: 118 121.184 2.493 0.896 0.818 0.949 0.803 CB 1.895 118 residues pruned to eliminate duplicates Z: 220 179.456 2.505 1.042 0.829 0.982 0.767 CB 1.816 219 residues pruned to eliminate duplicates Z: 64 80.214 2.381 0.720 0.907 1.000 0.714 CB 1.754 64 residues pruned to eliminate duplicates Z: 221 177.195 2.507 0.988 0.841 0.986 0.795 CB 1.813 221 residues pruned to eliminate duplicates Z: 220 176.302 2.511 0.944 0.843 0.991 0.799 CB 1.833 220 residues pruned to eliminate duplicates Z: 105 106.058 2.440 0.882 0.810 0.952 0.721 CB 1.817 105 residues pruned to eliminate duplicates Z: 208 175.094 2.515 1.011 0.840 0.981 0.749 CB 1.831 208 residues pruned to eliminate duplicates Z: 208 173.777 2.515 0.979 0.843 0.990 0.797 CB 1.825 208 residues pruned to eliminate duplicates Z: 142 139.082 2.522 0.928 0.828 0.972 0.752 CB 1.867 142 residues pruned to eliminate duplicates Z: 142 137.570 2.524 0.890 0.834 0.979 0.780 CB 1.861 142 residues pruned to eliminate duplicates Z: 209 180.640 2.506 1.058 0.839 0.986 0.760 CB 1.840 209 residues pruned to eliminate duplicates Z: 208 173.329 2.492 1.037 0.828 0.986 0.768 CB 1.814 208 residues pruned to eliminate duplicates Z: 143 139.299 2.501 0.962 0.817 0.972 0.768 CB 1.862 143 residues pruned to eliminate duplicates Z: 119 128.094 2.495 0.898 0.847 0.983 0.780 CB 1.881 119 residues pruned to eliminate duplicates Z: 106 120.629 2.518 0.838 0.852 0.990 0.733 CB 1.898 106 residues pruned to eliminate duplicates Z: 138 142.869 2.530 0.992 0.836 0.964 0.745 CB 1.881 138 residues pruned to eliminate duplicates Z: 222 180.017 2.490 1.047 0.829 0.991 0.751 CB 1.804 221 residues pruned to eliminate duplicates Z: 44 57.766 2.313 0.791 0.868 0.930 0.721 CB 1.671 44 residues pruned to eliminate duplicates Z: 139 137.692 2.507 0.988 0.798 0.971 0.746 CB 1.865 139 residues pruned to eliminate duplicates Z: 132 130.305 2.510 0.937 0.809 0.954 0.771 CB 1.875 132 residues pruned to eliminate duplicates Z: 117 122.907 2.493 0.886 0.823 0.974 0.759 CB 1.883 117 residues pruned to eliminate duplicates Z: 219 169.741 2.499 0.984 0.823 0.968 0.771 CB 1.811 219 residues pruned to eliminate duplicates Z: 221 177.917 2.491 1.043 0.818 0.982 0.768 CB 1.821 221 residues pruned to eliminate duplicates Z: 58 80.820 2.476 0.951 0.769 0.947 0.789 CB 1.843 58 residues pruned to eliminate duplicates Z: 117 122.943 2.493 0.911 0.819 0.974 0.741 CB 1.864 117 residues pruned to eliminate duplicates Z: 220 181.534 2.501 1.056 0.829 0.991 0.767 CB 1.810 220 residues pruned to eliminate duplicates Z: 53 71.589 2.396 1.034 0.741 0.942 0.712 CB 1.742 53 residues pruned to eliminate duplicates Z: 220 179.533 2.497 1.086 0.822 0.973 0.753 CB 1.811 220 residues pruned to eliminate duplicates Z: 218 169.413 2.486 1.012 0.818 0.972 0.756 CB 1.793 218 residues pruned to eliminate duplicates Z: 119 122.379 2.480 0.827 0.839 0.992 0.754 CB 1.873 119 residues pruned to eliminate duplicates Z: 141 138.410 2.511 0.961 0.830 0.964 0.750 CB 1.852 141 residues pruned to eliminate duplicates Z: 219 181.770 2.512 1.035 0.836 0.986 0.752 CB 1.827 219 residues pruned to eliminate duplicates Z: 22 43.746 2.463 0.679 0.848 1.000 0.714 CB 1.713 22 residues pruned to eliminate duplicates Z: 42 74.211 2.539 1.041 0.797 0.927 0.732 CB 1.861 42 residues pruned to eliminate duplicates Z: 143 130.298 2.468 0.935 0.810 0.979 0.704 CB 1.785 143 residues pruned to eliminate duplicates Z: 82 97.690 2.463 0.817 0.821 0.975 0.728 CB 1.882 82 residues pruned to eliminate duplicates Z: 184 155.212 2.474 1.029 0.811 0.978 0.727 CB 1.782 184 residues pruned to eliminate duplicates Z: 106 106.673 2.464 0.875 0.790 0.952 0.676 CB 1.834 106 residues pruned to eliminate duplicates Z: 108 110.890 2.487 0.941 0.796 0.972 0.794 CB 1.763 108 residues pruned to eliminate duplicates Z: 108 114.271 2.494 0.964 0.798 0.981 0.776 CB 1.771 108 residues pruned to eliminate duplicates Z: 108 108.473 2.497 0.893 0.796 0.981 0.766 CB 1.744 108 residues pruned to eliminate duplicates Z: 209 157.587 2.512 0.863 0.826 0.962 0.764 CB 1.832 209 residues pruned to eliminate duplicates Z: 220 169.447 2.510 0.926 0.839 0.968 0.753 CB 1.828 220 residues pruned to eliminate duplicates Z: 86 92.751 2.442 0.903 0.776 0.976 0.788 CB 1.737 86 residues pruned to eliminate duplicates Z: 152 143.301 2.477 1.016 0.829 0.993 0.755 CB 1.768 152 residues pruned to eliminate duplicates Z: 108 112.492 2.507 0.924 0.803 0.981 0.804 CB 1.764 108 residues pruned to eliminate duplicates Z: 107 112.486 2.494 0.896 0.805 0.991 0.774 CB 1.787 107 residues pruned to eliminate duplicates Z: 108 109.903 2.509 0.917 0.814 0.972 0.757 CB 1.729 108 residues pruned to eliminate duplicates Z: 108 108.537 2.481 0.870 0.802 0.991 0.794 CB 1.754 108 residues pruned to eliminate duplicates Z: 220 172.560 2.509 0.975 0.839 0.963 0.772 CB 1.824 220 residues pruned to eliminate duplicates Z: 106 111.280 2.519 0.897 0.816 0.971 0.790 CB 1.778 106 residues pruned to eliminate duplicates Z: 117 113.571 2.487 0.962 0.785 0.974 0.784 CB 1.727 105 residues pruned to eliminate duplicates Z: 34 78.663 2.449 1.082 0.946 1.000 0.879 CB 1.856 34 residues pruned to eliminate duplicates Z: 218 164.636 2.501 0.955 0.819 0.959 0.765 CB 1.808 218 residues pruned to eliminate duplicates Z: 79 99.174 2.497 0.922 0.830 1.000 0.795 CB 1.760 79 residues pruned to eliminate duplicates Z: 109 115.468 2.494 0.926 0.805 0.981 0.769 CB 1.807 109 residues pruned to eliminate duplicates Z: 152 141.638 2.506 0.947 0.843 0.980 0.781 CB 1.795 152 residues pruned to eliminate duplicates Z: 108 114.041 2.485 0.982 0.795 0.981 0.757 CB 1.761 108 residues pruned to eliminate duplicates Z: 107 115.904 2.497 0.948 0.804 1.000 0.783 CB 1.775 107 residues pruned to eliminate duplicates Z: 221 169.958 2.505 0.958 0.833 0.964 0.777 CB 1.819 221 residues pruned to eliminate duplicates Z: 134 143.304 2.532 1.046 0.819 0.992 0.767 CB 1.833 134 residues pruned to eliminate duplicates Z: 217 166.742 2.502 0.935 0.823 0.977 0.792 CB 1.813 217 residues pruned to eliminate duplicates Z: 107 115.756 2.507 0.948 0.814 0.981 0.821 CB 1.786 107 residues pruned to eliminate duplicates Z: 109 109.522 2.478 0.947 0.794 0.972 0.796 CB 1.737 109 residues pruned to eliminate duplicates Z: 130 110.895 2.428 0.941 0.757 0.977 0.767 CB 1.686 130 residues pruned to eliminate duplicates Z: 107 115.049 2.507 0.991 0.806 0.972 0.764 CB 1.765 107 residues pruned to eliminate duplicates Z: 106 122.329 2.522 1.015 0.822 1.000 0.829 CB 1.776 106 residues pruned to eliminate duplicates Z: 107 118.974 2.509 1.036 0.807 0.981 0.774 CB 1.764 107 residues pruned to eliminate duplicates Z: 105 118.056 2.527 1.016 0.823 0.981 0.798 CB 1.751 105 residues pruned to eliminate duplicates Z: 109 112.767 2.488 0.981 0.798 0.963 0.731 CB 1.761 109 residues pruned to eliminate duplicates Z: 219 172.511 2.514 0.963 0.839 0.977 0.784 CB 1.810 219 residues pruned to eliminate duplicates Z: 221 173.112 2.503 0.987 0.836 0.968 0.773 CB 1.815 221 residues pruned to eliminate duplicates Z: 105 123.316 2.521 1.059 0.819 1.000 0.798 CB 1.767 105 residues pruned to eliminate duplicates Z: 220 167.677 2.507 0.917 0.824 0.982 0.776 CB 1.814 220 residues pruned to eliminate duplicates Z: 152 143.961 2.498 0.977 0.846 0.987 0.742 CB 1.786 152 residues pruned to eliminate duplicates Z: 107 115.406 2.511 0.977 0.801 0.972 0.736 CB 1.786 107 residues pruned to eliminate duplicates Z: 105 122.449 2.530 1.025 0.821 1.000 0.817 CB 1.775 105 residues pruned to eliminate duplicates Z: 152 141.782 2.490 0.998 0.839 0.974 0.781 CB 1.779 152 residues pruned to eliminate duplicates Z: 54 94.507 2.520 1.084 0.835 1.000 0.792 CB 1.851 54 residues pruned to eliminate duplicates Z: 108 119.555 2.492 1.035 0.816 0.981 0.757 CB 1.765 108 residues pruned to eliminate duplicates Z: 109 121.046 2.494 1.025 0.802 0.991 0.787 CB 1.787 109 residues pruned to eliminate duplicates Z: 69 99.816 2.503 1.070 0.849 0.985 0.794 CB 1.758 69 residues pruned to eliminate duplicates Z: 106 120.243 2.515 1.045 0.817 0.981 0.762 CB 1.767 106 residues pruned to eliminate duplicates Z: 220 176.171 2.515 1.002 0.836 0.973 0.781 CB 1.820 221 residues pruned to eliminate duplicates Z: 30 50.178 2.450 0.450 0.916 1.000 0.931 CB 1.853 30 residues pruned to eliminate duplicates Z: 220 173.438 2.514 0.972 0.840 0.963 0.790 CB 1.832 220 residues pruned to eliminate duplicates Z: 208 169.543 2.514 1.011 0.822 0.966 0.744 CB 1.825 208 residues pruned to eliminate duplicates Z: 209 168.646 2.515 0.948 0.836 0.976 0.740 CB 1.831 209 residues pruned to eliminate duplicates Z: 108 122.692 2.491 1.066 0.808 0.991 0.794 CB 1.778 108 residues pruned to eliminate duplicates Z: 107 118.095 2.503 1.053 0.811 0.962 0.774 CB 1.769 107 residues pruned to eliminate duplicates Z: 108 122.653 2.504 1.089 0.806 0.981 0.710 CB 1.768 108 residues pruned to eliminate duplicates Z: 106 119.786 2.507 1.054 0.815 0.981 0.771 CB 1.759 106 residues pruned to eliminate duplicates Z: 107 125.452 2.506 1.106 0.808 1.000 0.726 CB 1.766 107 residues pruned to eliminate duplicates Z: 153 150.010 2.496 1.062 0.837 0.987 0.783 CB 1.791 153 residues pruned to eliminate duplicates Z: 208 170.376 2.514 0.996 0.832 0.966 0.758 CB 1.834 208 residues pruned to eliminate duplicates Z: 106 123.727 2.519 1.119 0.814 0.981 0.752 CB 1.755 106 residues pruned to eliminate duplicates Z: 108 119.434 2.485 1.125 0.807 0.972 0.785 CB 1.721 108 residues pruned to eliminate duplicates Z: 136 142.212 2.507 1.104 0.816 0.978 0.763 CB 1.803 136 residues pruned to eliminate duplicates Z: 208 177.980 2.512 1.040 0.836 0.981 0.754 CB 1.842 220 residues pruned to eliminate duplicates Z: 29 69.097 2.537 1.074 0.909 1.000 0.964 CB 1.761 29 residues pruned to eliminate duplicates Z: 220 176.620 2.513 1.029 0.838 0.963 0.740 CB 1.816 220 residues pruned to eliminate duplicates Z: 209 181.279 2.511 1.073 0.845 0.981 0.745 CB 1.831 209 residues pruned to eliminate duplicates Z: 134 146.383 2.520 1.176 0.817 0.977 0.729 CB 1.798 134 residues pruned to eliminate duplicates Z: 105 127.220 2.521 1.129 0.824 0.990 0.673 CB 1.773 105 residues pruned to eliminate duplicates Z: 107 122.141 2.485 1.111 0.805 0.981 0.736 CB 1.766 107 residues pruned to eliminate duplicates Z: 111 121.133 2.455 1.155 0.788 0.973 0.673 CB 1.743 111 residues pruned to eliminate duplicates Z: 109 125.490 2.519 1.129 0.816 0.972 0.722 CB 1.761 109 residues pruned to eliminate duplicates Z: 220 176.323 2.513 1.013 0.833 0.968 0.758 CB 1.825 220 residues pruned to eliminate duplicates Z: 221 180.832 2.506 1.053 0.840 0.977 0.723 CB 1.809 221 residues pruned to eliminate duplicates Z: 152 147.424 2.483 1.080 0.846 0.980 0.735 CB 1.762 152 residues pruned to eliminate duplicates Z: 108 122.462 2.490 1.134 0.810 0.981 0.729 CB 1.734 108 residues pruned to eliminate duplicates Z: 152 154.841 2.502 1.100 0.849 1.000 0.709 CB 1.778 152 residues pruned to eliminate duplicates Z: 22 45.681 2.476 0.635 0.903 1.000 0.810 CB 1.754 22 residues pruned to eliminate duplicates Z: 107 123.479 2.506 1.091 0.816 0.981 0.811 CB 1.774 107 residues pruned to eliminate duplicates Z: 108 123.983 2.475 1.173 0.806 0.991 0.729 CB 1.722 108 residues pruned to eliminate duplicates Z: 113 114.345 2.443 1.096 0.782 0.964 0.705 CB 1.706 113 residues pruned to eliminate duplicates Z: 186 154.302 2.462 1.001 0.806 0.984 0.762 CB 1.792 114 residues pruned to eliminate duplicates Z: 23 47.477 2.403 0.834 0.850 0.955 0.727 CB 1.783 23 residues pruned to eliminate duplicates Z: 153 148.780 2.481 1.080 0.841 0.987 0.704 CB 1.767 108 residues pruned to eliminate duplicates Z: 22 42.041 2.421 0.542 0.888 1.000 0.762 CB 1.771 22 residues pruned to eliminate duplicates Z: 153 148.492 2.466 1.114 0.811 0.987 0.770 CB 1.786 153 residues pruned to eliminate duplicates Z: 109 127.147 2.486 1.133 0.809 0.991 0.713 CB 1.780 109 residues pruned to eliminate duplicates Z: 220 176.207 2.505 1.017 0.842 0.973 0.758 CB 1.806 152 residues pruned to eliminate duplicates Z: 22 51.567 2.484 0.813 0.911 1.000 0.857 CB 1.770 22 residues pruned to eliminate duplicates Z: 105 126.491 2.522 1.167 0.832 0.971 0.769 CB 1.754 105 residues pruned to eliminate duplicates Z: 221 180.801 2.506 1.033 0.840 0.982 0.755 CB 1.819 221 residues pruned to eliminate duplicates Z: 15 41.346 2.491 0.908 0.871 1.000 0.857 CB 1.696 15 residues pruned to eliminate duplicates Z: 209 180.525 2.509 1.078 0.845 0.981 0.745 CB 1.820 209 residues pruned to eliminate duplicates Z: 138 145.115 2.526 1.077 0.831 0.956 0.701 CB 1.856 139 residues pruned to eliminate duplicates Z: 23 49.634 2.410 0.892 0.857 0.955 0.773 CB 1.792 23 residues pruned to eliminate duplicates Z: 139 136.445 2.494 0.961 0.814 0.993 0.754 CB 1.821 138 residues pruned to eliminate duplicates Z: 22 56.627 2.490 0.989 0.902 1.000 0.810 CB 1.780 22 residues pruned to eliminate duplicates Z: 106 132.653 2.505 1.208 0.813 1.000 0.705 CB 1.782 106 residues pruned to eliminate duplicates Z: 221 178.355 2.500 1.019 0.828 0.986 0.786 CB 1.818 221 residues pruned to eliminate duplicates Z: 108 124.071 2.490 1.135 0.804 0.981 0.738 CB 1.764 108 residues pruned to eliminate duplicates Z: 107 128.211 2.503 1.137 0.820 1.000 0.783 CB 1.764 107 residues pruned to eliminate duplicates Z: 108 125.599 2.504 1.176 0.804 0.981 0.766 CB 1.741 108 residues pruned to eliminate duplicates Z: 14 25.931 2.421 0.770 0.606 0.846 0.538 CB 1.793 14 residues pruned to eliminate duplicates Z: 129 140.251 2.558 0.985 0.837 0.953 0.734 CB 1.916 129 residues pruned to eliminate duplicates Z: 220 178.090 2.506 1.015 0.840 0.973 0.758 CB 1.828 220 residues pruned to eliminate duplicates Z: 105 129.816 2.538 1.154 0.832 0.981 0.760 CB 1.781 105 residues pruned to eliminate duplicates Z: 142 138.237 2.527 0.923 0.837 0.965 0.674 CB 1.857 142 residues pruned to eliminate duplicates Z: 27 56.575 2.452 1.120 0.742 0.962 0.692 CB 1.787 27 residues pruned to eliminate duplicates Z: 70 91.596 2.471 1.022 0.775 0.942 0.710 CB 1.837 70 residues pruned to eliminate duplicates Z: 142 137.795 2.521 0.887 0.844 0.965 0.773 CB 1.882 142 residues pruned to eliminate duplicates Z: 20 61.648 2.531 1.218 0.828 0.947 0.684 CA 2.002 20 residues pruned to eliminate duplicates Z: 222 175.579 2.481 1.053 0.825 0.968 0.747 CB 1.807 222 residues pruned to eliminate duplicates Z: 173 159.545 2.499 1.061 0.850 0.971 0.767 CB 1.802 173 residues pruned to eliminate duplicates Z: 209 174.636 2.506 1.022 0.835 0.976 0.774 CB 1.835 209 residues pruned to eliminate duplicates Z: 220 175.992 2.495 1.051 0.818 0.973 0.776 CB 1.813 220 residues pruned to eliminate duplicates Z: 208 181.859 2.520 1.060 0.838 0.990 0.763 CB 1.837 208 residues pruned to eliminate duplicates Z: 126 140.146 2.544 0.980 0.826 0.984 0.784 CB 1.907 126 residues pruned to eliminate duplicates Z: 130 132.715 2.538 0.924 0.821 0.961 0.721 CB 1.885 130 residues pruned to eliminate duplicates Z: 31 77.045 2.624 1.161 0.816 0.967 0.833 CB 1.949 31 residues pruned to eliminate duplicates Z: 221 177.145 2.499 1.019 0.819 0.986 0.745 CB 1.819 221 residues pruned to eliminate duplicates Z: 22 60.874 2.461 1.178 0.887 0.952 0.905 CB 1.877 22 residues pruned to eliminate duplicates Z: 31 80.788 2.585 1.254 0.823 0.967 0.800 CB 1.980 31 residues pruned to eliminate duplicates Z: 43 78.873 2.514 1.088 0.812 0.952 0.833 CB 1.855 43 residues pruned to eliminate duplicates Z: 219 177.078 2.497 1.033 0.821 0.986 0.729 CB 1.813 219 residues pruned to eliminate duplicates Z: 43 77.534 2.490 1.132 0.788 0.952 0.857 CB 1.837 43 residues pruned to eliminate duplicates Z: 119 117.040 2.439 0.907 0.821 0.949 0.754 CB 1.847 119 residues pruned to eliminate duplicates Z: 119 127.297 2.513 0.916 0.837 0.966 0.780 CB 1.884 119 residues pruned to eliminate duplicates Z: 142 140.599 2.510 0.992 0.803 0.965 0.745 CB 1.884 142 residues pruned to eliminate duplicates Z: 208 173.388 2.510 1.037 0.824 0.981 0.744 CB 1.815 208 residues pruned to eliminate duplicates Z: 119 122.169 2.481 0.971 0.802 0.949 0.737 CB 1.861 119 residues pruned to eliminate duplicates Z: 143 139.559 2.494 0.975 0.827 0.965 0.739 CB 1.857 143 residues pruned to eliminate duplicates Z: 54 79.756 2.459 1.016 0.798 0.925 0.774 CB 1.842 54 residues pruned to eliminate duplicates Z: 221 180.796 2.499 1.058 0.827 0.982 0.786 CB 1.819 221 residues pruned to eliminate duplicates Z: 14 26.274 2.139 0.845 0.777 1.000 0.846 CB 1.446 14 residues pruned to eliminate duplicates Z: 140 126.508 2.478 0.933 0.812 0.942 0.734 CB 1.811 140 residues pruned to eliminate duplicates Z: 46 80.841 2.465 1.184 0.785 0.978 0.778 CB 1.782 46 residues pruned to eliminate duplicates Z: 15 26.951 2.062 1.128 0.715 0.929 0.714 CB 1.455 15 residues pruned to eliminate duplicates Z: 54 81.049 2.437 1.096 0.809 0.925 0.792 CB 1.801 54 residues pruned to eliminate duplicates Z: 218 176.937 2.499 1.028 0.833 0.972 0.756 CB 1.829 217 residues pruned to eliminate duplicates Z: 13 27.060 2.064 0.752 0.891 1.000 0.750 CB 1.552 13 residues pruned to eliminate duplicates Z: 217 176.358 2.491 1.083 0.822 0.968 0.708 CB 1.809 217 residues pruned to eliminate duplicates Z: 16 30.037 2.024 1.051 0.703 1.000 0.667 CB 1.553 16 residues pruned to eliminate duplicates Z: 12 27.005 2.088 1.142 0.913 0.909 0.727 CB 1.417 12 residues pruned to eliminate duplicates Z: 10 36.913 2.245 1.388 0.901 1.000 0.556 CB 1.638 10 residues pruned to eliminate duplicates 218 residues left after pruning, divided into chains as follows: A: 184 B: 34 CC for partial structure against native data = 42.76 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.661, Connect. = 0.803 for dens.mod. cycle 1 = 0.300, Contrast = 0.749, Connect. = 0.825 for dens.mod. cycle 2 = 0.300, Contrast = 0.914, Connect. = 0.850 for dens.mod. cycle 3 = 0.300, Contrast = 0.932, Connect. = 0.853 for dens.mod. cycle 4 = 0.300, Contrast = 0.949, Connect. = 0.854 for dens.mod. cycle 5 = 0.300, Contrast = 0.954, Connect. = 0.855 for dens.mod. cycle 6 = 0.300, Contrast = 0.961, Connect. = 0.856 for dens.mod. cycle 7 = 0.300, Contrast = 0.962, Connect. = 0.857 for dens.mod. cycle 8 = 0.300, Contrast = 0.965, 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) 1569 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: 29 72.572 2.521 1.175 0.930 1.000 0.643 CB 1.749 B: 34 70.563 2.469 0.884 0.932 0.970 0.879 CB 1.901 C: 28 77.857 2.688 1.054 0.832 0.963 0.630 CB 2.116 D: 28 56.193 2.365 1.101 0.915 0.926 0.815 CB 1.661 28 residues pruned to eliminate duplicates E: 22 66.833 2.468 1.241 0.952 0.952 0.905 CB 1.907 F: 24 46.191 2.464 0.780 0.778 0.913 0.609 CB 1.882 23 residues pruned to eliminate duplicates G: 23 66.540 2.410 1.152 0.926 1.000 0.818 CA 1.918 23 residues pruned to eliminate duplicates H: 22 65.955 2.440 1.051 0.949 1.000 1.000 CA 1.985 22 residues pruned to eliminate duplicates I: 13 33.238 2.527 0.903 0.849 0.667 0.417 CA 2.218 13 residues pruned to eliminate duplicates J: 23 63.691 2.407 1.182 0.921 0.955 0.864 CA 1.905 23 residues pruned to eliminate duplicates K: 30 75.156 2.552 1.072 0.854 0.966 0.759 CA 2.018 30 residues pruned to eliminate duplicates L: 27 67.069 2.720 0.904 0.842 0.885 0.731 CB 2.140 27 residues pruned to eliminate duplicates M: 20 38.101 2.416 0.855 0.772 0.842 0.737 CB 1.821 20 residues pruned to eliminate duplicates N: 63 80.240 2.404 0.737 0.899 1.000 0.806 CB 1.745 O: 38 50.376 2.401 0.563 0.848 0.973 0.649 CB 1.682 38 residues pruned to eliminate duplicates P: 63 79.166 2.410 0.746 0.887 0.968 0.758 CB 1.780 63 residues pruned to eliminate duplicates Q: 30 54.266 2.404 0.835 0.834 0.862 0.724 CA 1.987 30 residues pruned to eliminate duplicates R: 33 76.786 2.507 1.023 0.951 1.000 0.938 CB 1.844 34 residues pruned to eliminate duplicates S: 34 69.244 2.417 0.838 0.933 1.000 0.879 CB 1.894 34 residues pruned to eliminate duplicates T: 8 27.093 2.561 0.674 0.889 1.000 1.000 CB 1.720 8 residues pruned to eliminate duplicates U: 29 78.768 2.603 1.034 0.868 0.964 0.714 CA 2.131 29 residues pruned to eliminate duplicates V: 34 58.884 2.508 0.760 0.855 0.970 0.606 CB 1.768 34 residues pruned to eliminate duplicates W: 12 37.379 2.554 0.652 0.762 1.000 0.636 CA 2.116 12 residues pruned to eliminate duplicates X: 22 52.002 2.496 0.792 0.899 1.000 0.952 CB 1.814 Y: 30 64.020 2.457 0.869 0.924 1.000 0.897 CB 1.818 30 residues pruned to eliminate duplicates Z: 32 77.487 2.530 1.001 0.958 1.000 0.871 CB 1.885 32 residues pruned to eliminate duplicates Z: 21 78.329 2.555 1.327 0.933 1.000 0.850 CB 2.056 21 residues pruned to eliminate duplicates Z: 17 49.393 2.446 1.238 0.872 0.875 0.750 CB 1.878 17 residues pruned to eliminate duplicates Z: 11 23.411 2.338 0.593 0.835 1.000 0.800 CB 1.489 11 residues pruned to eliminate duplicates Z: 22 64.480 2.484 1.157 0.941 0.905 0.857 CA 2.014 22 residues pruned to eliminate duplicates Z: 26 51.018 2.245 0.977 0.918 0.960 0.760 CB 1.689 22 residues pruned to eliminate duplicates Z: 47 67.444 2.353 0.807 0.879 0.957 0.717 CB 1.773 47 residues pruned to eliminate duplicates Z: 30 59.285 2.456 0.895 0.888 0.966 0.690 CB 1.765 30 residues pruned to eliminate duplicates Z: 34 73.740 2.452 1.010 0.951 1.000 0.909 CB 1.795 34 residues pruned to eliminate duplicates Z: 20 50.186 2.513 1.199 0.856 0.842 0.789 CB 1.825 20 residues pruned to eliminate duplicates Z: 26 49.989 2.490 1.138 0.809 0.800 0.640 CB 1.792 27 residues pruned to eliminate duplicates Z: 32 75.554 2.550 0.945 0.955 1.000 0.968 CB 1.881 32 residues pruned to eliminate duplicates Z: 35 58.616 2.481 0.593 0.876 1.000 0.735 CB 1.849 35 residues pruned to eliminate duplicates Z: 33 89.040 2.524 1.346 0.960 1.000 0.906 CB 1.821 33 residues pruned to eliminate duplicates Z: 34 77.720 2.470 1.150 0.945 0.970 0.909 CB 1.818 34 residues pruned to eliminate duplicates Z: 31 51.901 2.346 0.614 0.913 1.000 0.933 CB 1.771 31 residues pruned to eliminate duplicates Z: 20 49.157 2.473 0.844 0.811 0.947 0.632 CA 1.992 20 residues pruned to eliminate duplicates Z: 22 44.477 2.477 0.546 0.895 1.000 0.905 CB 1.817 22 residues pruned to eliminate duplicates Z: 16 29.317 2.360 0.178 0.845 1.000 0.800 CA 2.024 16 residues pruned to eliminate duplicates Z: 33 82.975 2.510 1.119 0.958 1.000 0.906 CB 1.892 33 residues pruned to eliminate duplicates Z: 20 43.618 2.440 0.897 0.778 0.842 0.737 CB 2.009 20 residues pruned to eliminate duplicates Z: 22 51.379 2.478 0.818 0.893 1.000 0.905 CB 1.787 22 residues pruned to eliminate duplicates Z: 34 76.171 2.465 1.041 0.943 1.000 0.939 CB 1.826 34 residues pruned to eliminate duplicates Z: 22 50.755 2.486 0.780 0.890 1.000 0.857 CB 1.801 22 residues pruned to eliminate duplicates Z: 24 50.687 2.530 0.549 0.891 1.000 0.696 CB 1.939 24 residues pruned to eliminate duplicates Z: 31 50.272 2.377 0.717 0.879 0.933 0.933 CB 1.748 31 residues pruned to eliminate duplicates Z: 28 47.308 2.193 0.867 0.869 0.926 0.778 CB 1.754 26 residues pruned to eliminate duplicates Z: 22 72.184 2.455 1.246 0.929 1.000 0.762 CA 1.999 28 residues pruned to eliminate duplicates Z: 20 53.039 2.493 0.985 0.830 0.895 0.632 CB 2.067 20 residues pruned to eliminate duplicates Z: 13 48.028 2.524 1.326 0.910 1.000 0.833 CB 1.675 13 residues pruned to eliminate duplicates Z: 34 73.528 2.424 1.130 0.939 0.970 0.848 CB 1.778 34 residues pruned to eliminate duplicates Z: 30 55.003 2.432 0.715 0.904 0.966 0.724 CB 1.806 30 residues pruned to eliminate duplicates Z: 22 60.687 2.460 1.046 0.937 0.952 0.857 CB 1.922 22 residues pruned to eliminate duplicates Z: 22 63.658 2.469 1.242 0.922 0.905 0.857 CB 1.951 22 residues pruned to eliminate duplicates Z: 63 76.833 2.409 0.685 0.887 0.984 0.726 CB 1.761 63 residues pruned to eliminate duplicates Z: 24 33.965 2.167 0.725 0.811 0.913 0.609 CB 1.583 24 residues pruned to eliminate duplicates Z: 35 40.404 2.142 0.641 0.828 0.912 0.794 CB 1.628 35 residues pruned to eliminate duplicates Z: 33 85.041 2.530 1.217 0.958 1.000 0.875 CB 1.839 33 residues pruned to eliminate duplicates Z: 14 48.533 2.558 1.207 0.930 1.000 0.846 CB 1.667 14 residues pruned to eliminate duplicates Z: 28 76.565 2.652 1.022 0.835 1.000 0.778 CB 2.058 28 residues pruned to eliminate duplicates Z: 29 48.214 2.273 0.719 0.943 1.000 0.964 CB 1.616 29 residues pruned to eliminate duplicates Z: 44 72.100 2.469 1.031 0.792 0.953 0.767 CB 1.781 31 residues pruned to eliminate duplicates Z: 11 28.430 2.187 0.799 0.929 1.000 0.700 CB 1.599 12 residues pruned to eliminate duplicates Z: 33 87.706 2.542 1.373 0.943 0.969 0.875 CB 1.838 33 residues pruned to eliminate duplicates Z: 22 58.949 2.449 0.967 0.942 0.952 0.810 CA 1.944 22 residues pruned to eliminate duplicates Z: 22 43.420 2.469 0.519 0.898 1.000 0.905 CB 1.807 22 residues pruned to eliminate duplicates Z: 63 81.399 2.406 0.719 0.903 1.000 0.758 CB 1.781 63 residues pruned to eliminate duplicates Z: 26 49.972 2.500 0.531 0.941 1.000 1.000 CB 1.812 26 residues pruned to eliminate duplicates Z: 21 47.709 2.417 0.950 0.804 0.900 0.650 CB 1.929 21 residues pruned to eliminate duplicates Z: 28 62.793 2.499 1.039 0.847 0.852 0.741 CB 2.068 28 residues pruned to eliminate duplicates Z: 21 76.624 2.539 1.290 0.959 1.000 0.950 CA 2.019 21 residues pruned to eliminate duplicates Z: 20 29.049 2.294 0.311 0.849 0.947 0.737 CB 1.734 20 residues pruned to eliminate duplicates Z: 22 50.405 2.408 0.891 0.886 1.000 0.810 CB 1.742 22 residues pruned to eliminate duplicates Z: 64 71.423 2.332 0.701 0.879 0.968 0.698 CB 1.699 64 residues pruned to eliminate duplicates Z: 31 59.643 2.367 0.893 0.912 1.000 0.667 CB 1.721 30 residues pruned to eliminate duplicates Z: 33 86.540 2.521 1.251 0.962 1.000 0.906 CB 1.843 33 residues pruned to eliminate duplicates Z: 14 44.834 2.523 0.826 0.875 1.000 0.923 CB 1.963 15 residues pruned to eliminate duplicates Z: 34 79.979 2.482 1.274 0.948 0.970 0.909 CB 1.756 34 residues pruned to eliminate duplicates Z: 31 51.106 2.315 0.601 0.916 1.000 0.900 CB 1.777 30 residues pruned to eliminate duplicates Z: 33 88.620 2.529 1.297 0.961 1.000 0.906 CB 1.846 33 residues pruned to eliminate duplicates Z: 22 42.983 2.434 0.516 0.889 1.000 0.905 CB 1.830 22 residues pruned to eliminate duplicates Z: 32 77.960 2.571 1.061 0.959 0.968 0.968 CB 1.872 32 residues pruned to eliminate duplicates Z: 30 46.350 2.237 0.670 0.934 1.000 0.862 CB 1.607 29 residues pruned to eliminate duplicates Z: 22 53.917 2.480 0.925 0.910 1.000 0.857 CB 1.747 22 residues pruned to eliminate duplicates Z: 23 46.133 2.388 0.757 0.906 0.955 0.864 CB 1.747 23 residues pruned to eliminate duplicates Z: 22 74.911 2.492 1.357 0.932 0.952 0.905 CA 2.041 22 residues pruned to eliminate duplicates Z: 52 63.390 2.328 0.697 0.886 0.922 0.804 CB 1.759 52 residues pruned to eliminate duplicates Z: 26 58.893 2.257 1.007 0.930 1.000 0.840 CA 1.819 26 residues pruned to eliminate duplicates Z: 26 72.722 2.525 1.233 0.962 1.000 0.920 CB 1.764 26 residues pruned to eliminate duplicates Z: 22 79.207 2.457 1.378 0.947 1.000 0.810 CB 2.044 22 residues pruned to eliminate duplicates Z: 33 75.827 2.509 1.002 0.946 0.969 0.938 CB 1.904 32 residues pruned to eliminate duplicates Z: 33 82.537 2.479 1.122 0.944 1.000 0.875 CB 1.921 33 residues pruned to eliminate duplicates Z: 33 72.137 2.417 1.010 0.945 1.000 0.812 CB 1.817 33 residues pruned to eliminate duplicates Z: 30 61.168 2.440 0.825 0.907 1.000 0.828 CB 1.813 30 residues pruned to eliminate duplicates Z: 31 57.933 2.541 0.541 0.926 1.000 0.933 CB 1.894 31 residues pruned to eliminate duplicates Z: 28 47.344 2.482 0.508 0.902 0.963 0.889 CB 1.804 28 residues pruned to eliminate duplicates Z: 11 26.305 2.194 0.776 0.888 1.000 0.800 CB 1.538 11 residues pruned to eliminate duplicates Z: 32 50.529 2.467 0.544 0.865 0.968 0.774 CB 1.804 32 residues pruned to eliminate duplicates Z: 12 24.302 2.137 0.665 0.913 1.000 0.727 CB 1.457 12 residues pruned to eliminate duplicates Z: 30 49.204 2.260 0.797 0.914 0.966 0.862 CB 1.648 31 residues pruned to eliminate duplicates Z: 33 75.504 2.493 0.990 0.953 1.000 0.969 CB 1.852 34 residues pruned to eliminate duplicates Z: 29 47.659 2.265 0.717 0.937 1.000 0.929 CB 1.611 29 residues pruned to eliminate duplicates Z: 23 50.628 2.397 0.856 0.903 1.000 0.773 CB 1.729 23 residues pruned to eliminate duplicates Z: 65 78.917 2.356 0.765 0.884 0.984 0.719 CB 1.741 65 residues pruned to eliminate duplicates Z: 150 138.696 2.474 0.984 0.833 0.980 0.758 CB 1.772 142 residues pruned to eliminate duplicates Z: 31 43.675 2.199 0.592 0.917 1.000 0.933 CB 1.607 31 residues pruned to eliminate duplicates Z: 19 53.096 2.472 0.919 0.841 1.000 0.778 CB 1.967 19 residues pruned to eliminate duplicates Z: 28 59.667 2.460 0.726 0.872 1.000 0.852 CA 1.972 28 residues pruned to eliminate duplicates Z: 51 69.143 2.370 0.659 0.899 1.000 0.760 CB 1.778 51 residues pruned to eliminate duplicates Z: 33 85.674 2.519 1.202 0.946 1.000 1.000 CB 1.888 33 residues pruned to eliminate duplicates Z: 61 71.890 2.343 0.726 0.869 0.983 0.650 CB 1.705 61 residues pruned to eliminate duplicates Z: 29 43.709 2.266 0.651 0.926 0.964 0.821 CB 1.606 29 residues pruned to eliminate duplicates Z: 29 83.603 2.589 1.049 0.901 1.000 0.714 CB 2.125 29 residues pruned to eliminate duplicates Z: 63 75.043 2.378 0.709 0.883 0.968 0.726 CB 1.753 63 residues pruned to eliminate duplicates Z: 13 23.925 2.057 0.558 0.894 1.000 0.750 CB 1.547 13 residues pruned to eliminate duplicates Z: 30 76.070 2.440 1.264 0.920 1.000 0.793 CB 1.800 30 residues pruned to eliminate duplicates Z: 11 23.344 2.380 0.384 0.818 1.000 0.700 CB 1.700 11 residues pruned to eliminate duplicates Z: 12 22.084 2.078 0.528 0.880 1.000 0.818 CB 1.519 12 residues pruned to eliminate duplicates Z: 15 29.202 2.444 0.259 0.859 0.929 0.857 CB 2.010 15 residues pruned to eliminate duplicates Z: 30 65.629 2.404 1.023 0.914 1.000 0.724 CB 1.772 30 residues pruned to eliminate duplicates Z: 27 70.684 2.389 1.327 0.964 1.000 0.692 CB 1.703 27 residues pruned to eliminate duplicates Z: 22 67.493 2.469 1.234 0.922 0.952 0.762 CA 1.971 22 residues pruned to eliminate duplicates Z: 30 44.417 2.229 0.613 0.926 1.000 0.793 CB 1.608 30 residues pruned to eliminate duplicates Z: 14 27.697 2.132 1.128 0.704 0.923 0.615 CB 1.524 15 residues pruned to eliminate duplicates Z: 53 67.723 2.363 0.643 0.898 0.981 0.731 CB 1.765 53 residues pruned to eliminate duplicates Z: 33 76.321 2.513 0.970 0.962 1.000 0.938 CB 1.864 33 residues pruned to eliminate duplicates Z: 29 45.397 2.251 0.651 0.932 1.000 0.929 CB 1.612 29 residues pruned to eliminate duplicates Z: 23 50.652 2.402 0.845 0.885 1.000 0.727 CB 1.759 23 residues pruned to eliminate duplicates Z: 22 49.145 2.467 0.757 0.890 1.000 0.905 CB 1.780 22 residues pruned to eliminate duplicates Z: 21 59.790 2.492 0.984 0.943 0.950 0.900 CA 1.972 21 residues pruned to eliminate duplicates Z: 34 79.990 2.421 1.211 0.933 1.000 0.848 CB 1.815 34 residues pruned to eliminate duplicates Z: 22 41.166 2.463 0.507 0.896 1.000 0.905 CB 1.733 22 residues pruned to eliminate duplicates Z: 30 59.922 2.502 0.682 0.905 1.000 0.828 CB 1.881 30 residues pruned to eliminate duplicates Z: 29 47.269 2.418 0.420 0.924 1.000 0.964 CB 1.827 29 residues pruned to eliminate duplicates Z: 34 89.305 2.411 1.411 0.960 1.000 0.848 CB 1.832 34 residues pruned to eliminate duplicates Z: 30 63.895 2.497 0.989 0.836 0.897 0.621 CB 1.995 30 residues pruned to eliminate duplicates Z: 52 73.966 2.379 0.812 0.893 0.980 0.686 CB 1.760 52 residues pruned to eliminate duplicates Z: 34 77.967 2.425 1.272 0.938 0.970 0.909 CB 1.767 34 residues pruned to eliminate duplicates Z: 62 81.697 2.396 0.822 0.881 1.000 0.623 CB 1.735 62 residues pruned to eliminate duplicates Z: 51 67.245 2.396 0.695 0.887 0.940 0.780 CB 1.797 51 residues pruned to eliminate duplicates Z: 16 41.542 2.316 1.132 0.873 1.000 0.800 CB 1.582 16 residues pruned to eliminate duplicates Z: 23 45.097 2.396 0.613 0.892 1.000 0.864 CB 1.787 23 residues pruned to eliminate duplicates Z: 33 54.724 2.466 0.469 0.899 1.000 0.844 CB 1.909 33 residues pruned to eliminate duplicates Z: 13 23.724 2.032 0.537 0.916 1.000 0.750 CB 1.548 11 residues pruned to eliminate duplicates Z: 32 75.574 2.545 0.952 0.957 1.000 0.968 CB 1.875 32 residues pruned to eliminate duplicates Z: 12 27.889 2.058 1.047 0.925 0.909 0.727 CB 1.541 12 residues pruned to eliminate duplicates Z: 63 70.572 2.386 0.553 0.896 0.984 0.823 CB 1.761 63 residues pruned to eliminate duplicates Z: 190 157.740 2.489 1.003 0.805 0.984 0.735 CB 1.792 190 residues pruned to eliminate duplicates Z: 30 44.266 2.247 0.585 0.931 1.000 0.793 CB 1.613 30 residues pruned to eliminate duplicates Z: 22 51.042 2.430 0.863 0.903 1.000 0.905 CB 1.754 22 residues pruned to eliminate duplicates Z: 30 73.152 2.448 1.204 0.919 1.000 0.828 CB 1.774 30 residues pruned to eliminate duplicates Z: 22 47.260 2.473 0.717 0.921 1.000 0.905 CB 1.709 22 residues pruned to eliminate duplicates Z: 53 69.957 2.377 0.640 0.905 0.981 0.846 CB 1.805 53 residues pruned to eliminate duplicates Z: 22 37.107 2.404 0.409 0.880 1.000 0.762 CB 1.731 22 residues pruned to eliminate duplicates Z: 22 37.916 2.467 0.343 0.906 1.000 1.000 CB 1.777 22 residues pruned to eliminate duplicates Z: 12 21.618 1.920 0.650 0.861 0.909 0.455 CB 1.663 12 residues pruned to eliminate duplicates Z: 34 61.263 2.544 0.656 0.884 0.970 0.758 CB 1.886 34 residues pruned to eliminate duplicates Z: 22 47.362 2.407 0.742 0.880 1.000 0.810 CB 1.787 22 residues pruned to eliminate duplicates Z: 11 21.514 2.103 0.406 0.908 1.000 1.000 CB 1.634 11 residues pruned to eliminate duplicates Z: 31 49.587 2.482 0.493 0.892 0.967 0.800 CB 1.816 31 residues pruned to eliminate duplicates Z: 20 51.846 2.463 0.921 0.905 0.947 0.526 CB 1.889 20 residues pruned to eliminate duplicates Z: 23 48.900 2.328 0.841 0.865 1.000 0.727 CB 1.781 23 residues pruned to eliminate duplicates Z: 13 18.772 1.923 0.431 0.822 1.000 0.667 CB 1.489 13 residues pruned to eliminate duplicates Z: 27 72.391 2.669 0.877 0.870 1.000 0.769 CB 2.068 27 residues pruned to eliminate duplicates Z: 63 68.118 2.344 0.609 0.898 0.984 0.774 CB 1.667 63 residues pruned to eliminate duplicates Z: 33 75.279 2.469 1.039 0.948 1.000 0.812 CB 1.826 33 residues pruned to eliminate duplicates Z: 10 24.099 2.217 0.457 0.807 1.000 0.667 CA 1.902 10 residues pruned to eliminate duplicates Z: 13 22.372 2.019 0.453 0.901 1.000 0.833 CB 1.571 13 residues pruned to eliminate duplicates Z: 12 27.170 2.177 0.706 0.861 0.909 0.636 CB 1.783 12 residues pruned to eliminate duplicates Z: 54 84.073 2.524 0.897 0.823 0.981 0.792 CB 1.858 54 residues pruned to eliminate duplicates Z: 51 65.400 2.362 0.629 0.893 0.980 0.780 CB 1.762 51 residues pruned to eliminate duplicates Z: 22 57.462 2.368 1.006 0.927 1.000 0.905 CB 1.850 22 residues pruned to eliminate duplicates Z: 12 22.164 2.036 0.596 0.909 1.000 1.000 CB 1.459 12 residues pruned to eliminate duplicates Z: 45 59.470 2.286 0.781 0.897 0.932 0.773 CB 1.691 45 residues pruned to eliminate duplicates Z: 34 56.018 2.490 0.595 0.871 0.970 0.788 CB 1.847 34 residues pruned to eliminate duplicates Z: 32 90.931 2.547 1.484 0.959 0.968 0.774 CB 1.829 32 residues pruned to eliminate duplicates Z: 23 58.265 2.361 1.048 0.913 1.000 0.818 CA 1.818 23 residues pruned to eliminate duplicates Z: 34 74.660 2.402 1.018 0.953 1.000 0.970 CB 1.845 34 residues pruned to eliminate duplicates Z: 63 80.094 2.405 0.731 0.899 0.984 0.806 CB 1.776 63 residues pruned to eliminate duplicates Z: 9 16.529 2.210 0.669 0.604 1.000 0.875 CB 1.436 9 residues pruned to eliminate duplicates Z: 108 122.344 2.486 1.121 0.803 0.981 0.748 CB 1.754 108 residues pruned to eliminate duplicates Z: 34 85.755 2.426 1.450 0.931 0.970 0.788 CB 1.810 34 residues pruned to eliminate duplicates Z: 6 6.540 1.657 0.377 0.646 1.000 1.000 CB 1.118 6 residues pruned to eliminate duplicates Z: 22 71.130 2.468 1.394 0.931 0.952 0.762 CB 1.928 22 residues pruned to eliminate duplicates Z: 14 30.610 2.208 1.087 0.743 0.769 0.538 CA 1.926 14 residues pruned to eliminate duplicates Z: 78 84.162 2.440 0.893 0.787 0.974 0.740 CB 1.657 78 residues pruned to eliminate duplicates Z: 12 20.935 2.034 0.445 0.931 1.000 1.000 CB 1.500 12 residues pruned to eliminate duplicates Z: 19 59.556 2.506 1.076 0.888 1.000 0.833 CA 1.945 19 residues pruned to eliminate duplicates Z: 10 32.271 2.353 0.933 0.917 1.000 1.000 CB 1.670 10 residues pruned to eliminate duplicates Z: 12 26.481 2.001 0.812 0.874 1.000 0.818 CA 1.603 12 residues pruned to eliminate duplicates Z: 59 81.268 2.510 0.794 0.818 0.966 0.793 CB 1.862 59 residues pruned to eliminate duplicates Z: 63 70.325 2.394 0.550 0.911 0.952 0.806 CB 1.792 63 residues pruned to eliminate duplicates Z: 33 39.770 2.181 0.548 0.858 0.906 0.781 CB 1.692 33 residues pruned to eliminate duplicates Z: 106 130.311 2.525 1.176 0.822 0.990 0.762 CB 1.768 106 residues pruned to eliminate duplicates Z: 11 25.591 2.173 0.597 0.919 1.000 0.800 CB 1.644 11 residues pruned to eliminate duplicates Z: 131 121.664 2.469 0.893 0.832 0.969 0.708 CB 1.768 131 residues pruned to eliminate duplicates Z: 36 45.796 2.127 0.623 0.896 1.000 0.829 CB 1.607 36 residues pruned to eliminate duplicates Z: 34 51.141 2.212 0.685 0.896 1.000 0.788 CB 1.711 34 residues pruned to eliminate duplicates Z: 74 108.413 2.489 1.235 0.827 0.986 0.836 CB 1.742 74 residues pruned to eliminate duplicates Z: 22 46.415 2.453 0.751 0.891 1.000 0.810 CB 1.695 22 residues pruned to eliminate duplicates Z: 30 47.133 2.442 0.706 0.867 0.931 0.862 CB 1.650 30 residues pruned to eliminate duplicates Z: 8 15.185 2.066 0.611 0.677 0.857 0.571 O 1.709 8 residues pruned to eliminate duplicates Z: 19 25.722 2.183 0.547 0.673 1.000 0.722 CB 1.531 19 residues pruned to eliminate duplicates Z: 26 66.509 2.493 1.065 0.950 1.000 0.920 CB 1.782 26 residues pruned to eliminate duplicates Z: 176 156.694 2.496 1.001 0.821 0.989 0.800 CB 1.816 176 residues pruned to eliminate duplicates Z: 172 155.408 2.499 1.034 0.823 0.982 0.743 CB 1.799 172 residues pruned to eliminate duplicates Z: 19 43.276 2.489 0.896 0.715 0.944 0.667 CB 1.884 19 residues pruned to eliminate duplicates Z: 24 51.113 2.250 1.206 0.889 0.913 0.739 CB 1.694 24 residues pruned to eliminate duplicates Z: 27 50.246 2.420 0.562 0.950 1.000 1.000 CB 1.798 27 residues pruned to eliminate duplicates Z: 113 111.629 2.505 0.896 0.781 0.964 0.732 CB 1.797 113 residues pruned to eliminate duplicates Z: 42 82.533 2.494 1.219 0.808 1.000 0.756 CB 1.781 42 residues pruned to eliminate duplicates Z: 22 46.924 2.430 0.763 0.882 1.000 0.857 CB 1.729 22 residues pruned to eliminate duplicates Z: 14 19.045 2.082 0.642 0.497 1.000 0.769 CA 1.551 14 residues pruned to eliminate duplicates Z: 27 77.980 2.654 0.932 0.892 1.000 0.769 CB 2.143 27 residues pruned to eliminate duplicates Z: 18 25.930 2.263 0.729 0.629 0.941 0.647 CB 1.513 18 residues pruned to eliminate duplicates Z: 46 71.380 2.449 0.833 0.825 0.956 0.756 CB 1.872 46 residues pruned to eliminate duplicates Z: 24 53.950 2.504 1.007 0.777 0.957 0.652 CB 1.833 24 residues pruned to eliminate duplicates Z: 6 2.681 1.230 0.052 0.475 1.000 0.400 CA 0.950 Z: 58 99.555 2.521 1.153 0.830 1.000 0.754 CB 1.826 58 residues pruned to eliminate duplicates Z: 10 26.590 2.249 0.690 0.907 1.000 0.889 CB 1.657 10 residues pruned to eliminate duplicates Z: 30 61.483 2.446 0.949 0.881 1.000 0.828 CB 1.735 30 residues pruned to eliminate duplicates Z: 55 68.276 2.345 0.761 0.824 0.926 0.704 CB 1.835 55 residues pruned to eliminate duplicates Z: 51 66.637 2.413 0.936 0.744 0.920 0.820 CB 1.763 51 residues pruned to eliminate duplicates Z: 83 99.384 2.466 0.849 0.816 0.976 0.695 CB 1.874 83 residues pruned to eliminate duplicates Z: 25 57.319 2.564 0.868 0.742 0.958 0.750 CB 2.053 25 residues pruned to eliminate duplicates Z: 64 75.466 2.360 0.720 0.887 0.984 0.730 CB 1.716 64 residues pruned to eliminate duplicates Z: 11 27.185 2.189 0.655 0.890 1.000 0.800 CB 1.708 11 residues pruned to eliminate duplicates Z: 34 56.177 2.499 0.522 0.883 1.000 0.788 CB 1.859 34 residues pruned to eliminate duplicates Z: 32 90.628 2.525 1.375 0.947 1.000 0.806 CB 1.876 32 residues pruned to eliminate duplicates Z: 48 88.761 2.528 1.138 0.803 1.000 0.809 CB 1.838 49 residues pruned to eliminate duplicates Z: 15 39.184 2.364 0.805 0.874 0.857 0.714 CA 2.083 15 residues pruned to eliminate duplicates Z: 22 53.543 2.430 0.940 0.908 1.000 0.857 CB 1.760 22 residues pruned to eliminate duplicates Z: 12 25.368 2.121 0.602 0.810 1.000 0.636 CA 1.718 12 residues pruned to eliminate duplicates Z: 22 35.499 2.354 0.526 0.867 0.905 0.762 CB 1.744 22 residues pruned to eliminate duplicates Z: 20 34.292 2.308 0.698 0.635 1.000 0.789 CB 1.768 20 residues pruned to eliminate duplicates Z: 52 66.530 2.352 0.697 0.901 0.941 0.745 CB 1.770 52 residues pruned to eliminate duplicates Z: 80 105.185 2.453 1.190 0.816 0.987 0.709 CB 1.695 80 residues pruned to eliminate duplicates Z: 198 169.751 2.524 0.979 0.828 0.995 0.772 CB 1.833 195 residues pruned to eliminate duplicates Z: 62 77.461 2.418 0.753 0.816 0.967 0.721 CB 1.838 62 residues pruned to eliminate duplicates Z: 202 164.045 2.489 0.991 0.800 0.990 0.766 CB 1.815 202 residues pruned to eliminate duplicates Z: 18 40.706 2.410 0.925 0.694 0.941 0.529 CB 1.893 18 residues pruned to eliminate duplicates Z: 173 154.905 2.473 1.060 0.813 0.983 0.767 CB 1.798 173 residues pruned to eliminate duplicates Z: 182 147.645 2.498 0.879 0.831 0.961 0.718 CB 1.828 182 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 19 52.779 2.559 1.047 0.802 0.889 0.833 CB 2.052 19 residues pruned to eliminate duplicates Z: 160 150.225 2.461 1.108 0.827 0.975 0.698 CB 1.775 160 residues pruned to eliminate duplicates Z: 19 53.375 2.608 1.125 0.771 0.889 0.722 CB 2.009 19 residues pruned to eliminate duplicates Z: 134 145.446 2.517 1.151 0.807 0.992 0.729 CB 1.796 134 residues pruned to eliminate duplicates Z: 153 150.679 2.489 1.069 0.837 0.993 0.717 CB 1.787 153 residues pruned to eliminate duplicates Z: 118 124.317 2.501 0.891 0.838 0.974 0.803 CB 1.864 118 residues pruned to eliminate duplicates Z: 135 145.716 2.520 1.110 0.819 0.993 0.716 CB 1.808 135 residues pruned to eliminate duplicates Z: 119 125.329 2.511 0.874 0.830 0.975 0.729 CB 1.892 121 residues pruned to eliminate duplicates Z: 17 53.453 2.516 0.958 0.895 1.000 0.750 CB 1.944 17 residues pruned to eliminate duplicates Z: 66 96.500 2.529 0.988 0.777 0.985 0.723 CB 1.893 66 residues pruned to eliminate duplicates Z: 154 143.183 2.465 1.062 0.812 0.980 0.745 CB 1.770 154 residues pruned to eliminate duplicates Z: 153 148.816 2.486 1.053 0.834 1.000 0.750 CB 1.774 153 residues pruned to eliminate duplicates Z: 142 136.988 2.518 0.942 0.827 0.950 0.773 CB 1.870 142 residues pruned to eliminate duplicates Z: 221 179.523 2.504 1.006 0.835 0.991 0.773 CB 1.822 221 residues pruned to eliminate duplicates Z: 135 137.655 2.496 1.097 0.813 0.985 0.746 CB 1.757 135 residues pruned to eliminate duplicates Z: 118 122.421 2.492 0.908 0.835 0.957 0.735 CB 1.862 118 residues pruned to eliminate duplicates Z: 209 172.164 2.500 1.046 0.827 0.971 0.731 CB 1.811 209 residues pruned to eliminate duplicates Z: 187 158.242 2.497 0.996 0.836 0.968 0.763 CB 1.801 187 residues pruned to eliminate duplicates Z: 141 142.033 2.531 0.936 0.836 0.979 0.750 CB 1.874 141 residues pruned to eliminate duplicates Z: 73 98.495 2.486 1.020 0.784 0.972 0.764 CB 1.852 73 residues pruned to eliminate duplicates Z: 50 76.054 2.439 0.874 0.846 0.959 0.735 CB 1.841 50 residues pruned to eliminate duplicates Z: 155 151.137 2.478 1.082 0.830 1.000 0.727 CB 1.776 155 residues pruned to eliminate duplicates Z: 175 156.372 2.494 1.027 0.828 0.977 0.770 CB 1.806 175 residues pruned to eliminate duplicates Z: 50 76.616 2.421 0.870 0.832 0.980 0.735 CB 1.852 50 residues pruned to eliminate duplicates Z: 152 148.580 2.502 1.016 0.841 0.987 0.795 CB 1.812 152 residues pruned to eliminate duplicates Z: 153 146.419 2.488 1.060 0.833 0.974 0.770 CB 1.786 153 residues pruned to eliminate duplicates Z: 151 150.482 2.502 1.090 0.825 0.987 0.780 CB 1.798 151 residues pruned to eliminate duplicates Z: 221 176.857 2.504 0.998 0.827 0.982 0.800 CB 1.829 221 residues pruned to eliminate duplicates Z: 151 145.137 2.501 1.079 0.818 0.967 0.727 CB 1.789 151 residues pruned to eliminate duplicates Z: 210 172.801 2.506 1.029 0.834 0.971 0.809 CB 1.814 210 residues pruned to eliminate duplicates Z: 152 153.659 2.507 1.064 0.838 1.000 0.821 CB 1.805 152 residues pruned to eliminate duplicates Z: 218 182.052 2.521 1.026 0.836 0.991 0.802 CB 1.827 218 residues pruned to eliminate duplicates Z: 137 126.559 2.470 0.922 0.803 0.963 0.809 CB 1.822 137 residues pruned to eliminate duplicates Z: 219 177.331 2.515 1.018 0.826 0.972 0.766 CB 1.835 219 residues pruned to eliminate duplicates Z: 157 147.521 2.486 1.014 0.827 0.981 0.763 CB 1.812 157 residues pruned to eliminate duplicates Z: 117 125.611 2.494 0.871 0.849 0.983 0.836 CB 1.885 115 residues pruned to eliminate duplicates Z: 64 69.274 2.368 0.634 0.885 0.937 0.746 CB 1.738 64 residues pruned to eliminate duplicates Z: 218 175.269 2.495 1.039 0.820 0.972 0.779 CB 1.822 220 residues pruned to eliminate duplicates Z: 65 71.399 2.343 0.632 0.889 0.969 0.797 CB 1.734 65 residues pruned to eliminate duplicates Z: 208 172.812 2.515 1.032 0.822 0.981 0.739 CB 1.813 208 residues pruned to eliminate duplicates Z: 116 125.546 2.510 0.853 0.845 0.983 0.765 CB 1.905 116 residues pruned to eliminate duplicates Z: 117 128.752 2.492 0.927 0.845 0.974 0.836 CB 1.901 117 residues pruned to eliminate duplicates Z: 219 183.939 2.520 1.035 0.840 0.986 0.789 CB 1.839 219 residues pruned to eliminate duplicates Z: 104 125.184 2.533 0.887 0.855 0.990 0.748 CB 1.923 104 residues pruned to eliminate duplicates Z: 220 178.819 2.512 1.017 0.835 0.982 0.772 CB 1.820 220 residues pruned to eliminate duplicates Z: 208 178.701 2.524 1.027 0.838 0.990 0.758 CB 1.833 208 residues pruned to eliminate duplicates Z: 219 184.842 2.522 1.040 0.836 0.991 0.771 CB 1.839 219 residues pruned to eliminate duplicates Z: 104 121.432 2.530 0.847 0.854 0.990 0.816 CB 1.910 104 residues pruned to eliminate duplicates Z: 220 180.757 2.507 1.039 0.825 0.991 0.763 CB 1.819 220 residues pruned to eliminate duplicates Z: 219 178.343 2.517 1.018 0.825 0.982 0.743 CB 1.828 219 residues pruned to eliminate duplicates Z: 57 89.288 2.527 0.934 0.821 0.946 0.768 CB 1.952 57 residues pruned to eliminate duplicates Z: 216 172.844 2.504 0.990 0.823 0.986 0.786 CB 1.813 216 residues pruned to eliminate duplicates Z: 219 178.286 2.522 1.002 0.835 0.977 0.743 CB 1.833 219 residues pruned to eliminate duplicates Z: 139 126.741 2.479 0.903 0.804 0.957 0.754 CB 1.835 139 residues pruned to eliminate duplicates Z: 221 175.144 2.504 0.986 0.829 0.977 0.768 CB 1.829 221 residues pruned to eliminate duplicates Z: 117 119.415 2.490 0.836 0.847 0.966 0.776 CB 1.865 117 residues pruned to eliminate duplicates Z: 172 154.983 2.505 1.058 0.810 0.971 0.708 CB 1.807 172 residues pruned to eliminate duplicates Z: 220 180.055 2.515 1.033 0.835 0.977 0.799 CB 1.823 219 residues pruned to eliminate duplicates Z: 63 80.658 2.403 0.781 0.884 0.984 0.726 CB 1.757 63 residues pruned to eliminate duplicates Z: 125 113.959 2.445 0.836 0.783 0.960 0.726 CB 1.851 125 residues pruned to eliminate duplicates Z: 222 172.129 2.492 0.986 0.828 0.977 0.783 CB 1.803 222 residues pruned to eliminate duplicates Z: 221 172.150 2.493 0.993 0.829 0.977 0.741 CB 1.799 221 residues pruned to eliminate duplicates Z: 222 176.718 2.498 1.014 0.826 0.982 0.778 CB 1.814 222 residues pruned to eliminate duplicates Z: 208 180.289 2.520 1.029 0.845 0.990 0.744 CB 1.839 208 residues pruned to eliminate duplicates Z: 221 176.304 2.497 0.993 0.827 0.986 0.750 CB 1.825 221 residues pruned to eliminate duplicates Z: 140 137.210 2.516 0.998 0.797 0.957 0.698 CB 1.865 140 residues pruned to eliminate duplicates Z: 33 74.704 2.568 1.072 0.823 0.938 0.781 CB 2.001 33 residues pruned to eliminate duplicates Z: 207 173.927 2.515 1.020 0.826 0.985 0.762 CB 1.826 207 residues pruned to eliminate duplicates Z: 119 117.588 2.468 0.834 0.824 0.966 0.712 CB 1.870 119 residues pruned to eliminate duplicates Z: 7 13.528 2.179 0.881 0.381 0.833 0.500 CA 1.835 7 residues pruned to eliminate duplicates Z: 7 14.556 2.152 0.996 0.399 0.833 0.333 CB 1.846 7 residues pruned to eliminate duplicates Z: 188 136.184 2.459 0.843 0.809 0.952 0.733 CB 1.763 188 residues pruned to eliminate duplicates Z: 186 143.472 2.464 0.926 0.791 0.962 0.741 CB 1.789 115 residues pruned to eliminate duplicates Z: 6 11.472 2.253 0.552 0.500 1.000 0.600 CA 1.467 6 residues pruned to eliminate duplicates Z: 153 139.497 2.505 0.910 0.835 0.987 0.763 CB 1.795 106 residues pruned to eliminate duplicates Z: 37 79.170 2.479 1.113 0.887 1.000 0.917 CB 1.816 37 residues pruned to eliminate duplicates Z: 152 132.453 2.500 0.824 0.828 0.987 0.788 CB 1.805 152 residues pruned to eliminate duplicates Z: 157 140.970 2.498 0.930 0.822 0.974 0.776 CB 1.817 153 residues pruned to eliminate duplicates Z: 32 76.510 2.574 0.920 0.959 1.000 0.903 CB 1.906 32 residues pruned to eliminate duplicates Z: 175 143.618 2.496 0.841 0.824 0.983 0.741 CB 1.821 175 residues pruned to eliminate duplicates Z: 208 169.258 2.529 0.950 0.842 0.966 0.744 CB 1.839 157 residues pruned to eliminate duplicates Z: 33 84.701 2.508 1.169 0.945 1.000 0.844 CB 1.905 33 residues pruned to eliminate duplicates Z: 154 132.207 2.476 0.894 0.814 0.974 0.758 CB 1.781 154 residues pruned to eliminate duplicates Z: 107 113.478 2.511 0.962 0.800 0.962 0.792 CB 1.789 107 residues pruned to eliminate duplicates Z: 153 138.102 2.488 0.943 0.820 0.980 0.789 CB 1.790 153 residues pruned to eliminate duplicates Z: 107 117.687 2.524 1.006 0.805 0.972 0.774 CB 1.780 107 residues pruned to eliminate duplicates Z: 220 170.623 2.510 0.931 0.825 0.973 0.795 CB 1.846 209 residues pruned to eliminate duplicates Z: 34 80.720 2.453 1.189 0.940 1.000 0.879 CB 1.817 34 residues pruned to eliminate duplicates Z: 108 118.464 2.520 0.994 0.811 0.991 0.748 CB 1.755 108 residues pruned to eliminate duplicates Z: 219 167.169 2.517 0.967 0.827 0.945 0.761 CB 1.823 219 residues pruned to eliminate duplicates Z: 219 172.518 2.520 0.964 0.838 0.963 0.761 CB 1.832 219 residues pruned to eliminate duplicates Z: 33 80.445 2.511 1.143 0.957 1.000 0.844 CB 1.813 33 residues pruned to eliminate duplicates Z: 55 90.490 2.533 0.955 0.843 1.000 0.870 CB 1.851 55 residues pruned to eliminate duplicates Z: 109 117.406 2.519 0.989 0.813 0.981 0.796 CB 1.750 109 residues pruned to eliminate duplicates Z: 52 85.074 2.500 1.032 0.812 0.980 0.765 CB 1.823 52 residues pruned to eliminate duplicates Z: 154 134.239 2.477 0.904 0.831 0.967 0.791 CB 1.788 154 residues pruned to eliminate duplicates Z: 105 118.493 2.532 0.970 0.821 0.990 0.779 CB 1.782 105 residues pruned to eliminate duplicates Z: 107 119.243 2.509 1.014 0.805 0.991 0.802 CB 1.772 107 residues pruned to eliminate duplicates Z: 158 138.777 2.480 1.001 0.818 0.962 0.758 CB 1.761 158 residues pruned to eliminate duplicates Z: 220 175.462 2.519 0.976 0.836 0.977 0.749 CB 1.825 220 residues pruned to eliminate duplicates Z: 109 118.865 2.528 1.023 0.800 0.972 0.769 CB 1.770 109 residues pruned to eliminate duplicates Z: 220 177.377 2.519 0.958 0.842 0.991 0.781 CB 1.827 219 residues pruned to eliminate duplicates Z: 34 86.802 2.435 1.500 0.946 0.970 0.818 CB 1.770 34 residues pruned to eliminate duplicates Z: 209 170.202 2.518 0.991 0.836 0.962 0.750 CB 1.833 209 residues pruned to eliminate duplicates Z: 73 92.387 2.467 0.944 0.812 0.986 0.778 CB 1.755 73 residues pruned to eliminate duplicates Z: 106 121.199 2.536 1.007 0.812 0.990 0.781 CB 1.789 106 residues pruned to eliminate duplicates Z: 220 172.417 2.522 0.940 0.834 0.973 0.744 CB 1.836 220 residues pruned to eliminate duplicates Z: 107 121.120 2.506 1.044 0.807 1.000 0.774 CB 1.757 107 residues pruned to eliminate duplicates Z: 153 141.255 2.496 1.007 0.833 0.961 0.763 CB 1.786 153 residues pruned to eliminate duplicates Z: 151 134.408 2.476 0.992 0.812 0.973 0.727 CB 1.742 151 residues pruned to eliminate duplicates Z: 174 154.404 2.505 0.944 0.849 0.983 0.792 CB 1.818 174 residues pruned to eliminate duplicates Z: 155 141.856 2.490 0.952 0.838 0.974 0.740 CB 1.805 155 residues pruned to eliminate duplicates Z: 156 138.027 2.485 0.945 0.827 0.961 0.761 CB 1.798 156 residues pruned to eliminate duplicates Z: 154 145.324 2.499 0.985 0.833 0.987 0.771 CB 1.800 154 residues pruned to eliminate duplicates Z: 134 143.165 2.536 1.101 0.827 0.977 0.744 CB 1.796 134 residues pruned to eliminate duplicates Z: 55 98.224 2.537 1.098 0.844 1.000 0.833 CB 1.869 55 residues pruned to eliminate duplicates Z: 152 148.543 2.511 1.026 0.835 0.987 0.735 CB 1.804 152 residues pruned to eliminate duplicates Z: 152 140.566 2.496 0.998 0.837 0.967 0.728 CB 1.774 152 residues pruned to eliminate duplicates Z: 159 137.237 2.461 0.953 0.806 0.975 0.772 CB 1.785 159 residues pruned to eliminate duplicates Z: 175 157.612 2.510 0.983 0.849 0.983 0.747 CB 1.811 175 residues pruned to eliminate duplicates Z: 153 141.211 2.490 0.991 0.821 0.980 0.743 CB 1.785 153 residues pruned to eliminate duplicates Z: 108 124.307 2.515 1.082 0.807 0.981 0.757 CB 1.790 108 residues pruned to eliminate duplicates Z: 108 125.337 2.487 1.120 0.800 1.000 0.729 CB 1.768 108 residues pruned to eliminate duplicates Z: 152 147.538 2.498 1.064 0.839 0.987 0.722 CB 1.762 152 residues pruned to eliminate duplicates Z: 108 126.889 2.492 1.144 0.801 0.991 0.738 CB 1.782 108 residues pruned to eliminate duplicates Z: 95 113.967 2.487 1.087 0.829 0.968 0.734 CB 1.760 95 residues pruned to eliminate duplicates Z: 106 123.296 2.517 1.110 0.810 0.981 0.771 CB 1.763 106 residues pruned to eliminate duplicates Z: 220 174.094 2.512 0.996 0.831 0.968 0.767 CB 1.821 220 residues pruned to eliminate duplicates Z: 109 124.647 2.496 1.156 0.804 0.981 0.778 CB 1.742 109 residues pruned to eliminate duplicates Z: 219 172.820 2.514 0.962 0.831 0.982 0.729 CB 1.816 220 residues pruned to eliminate duplicates Z: 31 64.760 2.354 1.092 0.913 1.000 0.600 CB 1.699 31 residues pruned to eliminate duplicates Z: 109 122.098 2.475 1.140 0.790 0.981 0.759 CB 1.752 109 residues pruned to eliminate duplicates Z: 215 166.818 2.487 1.012 0.811 0.953 0.715 CB 1.823 215 residues pruned to eliminate duplicates Z: 175 143.075 2.472 0.969 0.809 0.971 0.724 CB 1.754 175 residues pruned to eliminate duplicates Z: 219 173.230 2.493 1.006 0.822 0.982 0.734 CB 1.808 219 residues pruned to eliminate duplicates Z: 31 65.252 2.378 1.230 0.882 0.967 0.600 CB 1.681 31 residues pruned to eliminate duplicates Z: 217 168.779 2.504 1.008 0.823 0.958 0.745 CB 1.800 217 residues pruned to eliminate duplicates Z: 123 144.377 2.555 1.172 0.817 0.984 0.689 CB 1.818 123 residues pruned to eliminate duplicates Z: 107 127.280 2.500 1.150 0.812 1.000 0.717 CB 1.753 107 residues pruned to eliminate duplicates Z: 107 125.274 2.505 1.140 0.807 0.981 0.755 CB 1.770 107 residues pruned to eliminate duplicates Z: 108 123.190 2.482 1.152 0.806 0.972 0.766 CB 1.757 108 residues pruned to eliminate duplicates Z: 185 156.321 2.477 1.036 0.806 0.978 0.668 CB 1.789 185 residues pruned to eliminate duplicates Z: 135 138.100 2.499 1.085 0.798 0.985 0.731 CB 1.790 135 residues pruned to eliminate duplicates Z: 108 125.534 2.483 1.162 0.801 0.991 0.720 CB 1.754 108 residues pruned to eliminate duplicates Z: 175 158.000 2.502 1.014 0.847 0.983 0.724 CB 1.796 175 residues pruned to eliminate duplicates Z: 173 156.202 2.509 0.997 0.843 0.977 0.733 CB 1.812 173 residues pruned to eliminate duplicates Z: 207 170.717 2.515 1.012 0.828 0.966 0.777 CB 1.833 207 residues pruned to eliminate duplicates Z: 218 177.991 2.521 1.009 0.839 0.972 0.728 CB 1.832 218 residues pruned to eliminate duplicates Z: 22 50.924 2.454 0.847 0.884 1.000 0.857 CB 1.772 22 residues pruned to eliminate duplicates Z: 102 122.165 2.534 0.932 0.849 0.990 0.743 CB 1.859 102 residues pruned to eliminate duplicates Z: 220 171.224 2.507 0.953 0.824 0.977 0.795 CB 1.827 220 residues pruned to eliminate duplicates Z: 104 129.541 2.548 1.127 0.826 0.990 0.748 CB 1.794 104 residues pruned to eliminate duplicates Z: 55 98.888 2.612 1.079 0.813 0.981 0.685 CB 1.923 55 residues pruned to eliminate duplicates Z: 157 139.305 2.464 0.999 0.810 0.968 0.712 CB 1.787 157 residues pruned to eliminate duplicates Z: 152 145.077 2.500 1.004 0.829 0.987 0.775 CB 1.797 152 residues pruned to eliminate duplicates Z: 105 127.662 2.533 1.141 0.826 0.981 0.740 CB 1.774 105 residues pruned to eliminate duplicates Z: 159 148.186 2.477 1.079 0.824 0.962 0.741 CB 1.797 159 residues pruned to eliminate duplicates Z: 152 150.893 2.506 1.065 0.844 0.987 0.768 CB 1.788 152 residues pruned to eliminate duplicates Z: 221 176.042 2.502 1.022 0.826 0.977 0.768 CB 1.810 221 residues pruned to eliminate duplicates Z: 221 177.027 2.509 1.024 0.838 0.968 0.745 CB 1.814 221 residues pruned to eliminate duplicates Z: 105 130.893 2.529 1.167 0.831 1.000 0.760 CB 1.760 105 residues pruned to eliminate duplicates Z: 106 130.172 2.527 1.193 0.809 0.981 0.686 CB 1.784 106 residues pruned to eliminate duplicates Z: 105 128.078 2.522 1.158 0.812 0.990 0.788 CB 1.776 105 residues pruned to eliminate duplicates Z: 109 129.475 2.526 1.137 0.818 0.981 0.778 CB 1.784 109 residues pruned to eliminate duplicates Z: 27 66.588 2.596 1.193 0.767 1.000 0.731 CB 1.811 27 residues pruned to eliminate duplicates Z: 152 139.545 2.468 1.088 0.810 0.967 0.728 CB 1.740 152 residues pruned to eliminate duplicates Z: 153 147.160 2.501 1.070 0.838 0.967 0.724 CB 1.782 153 residues pruned to eliminate duplicates Z: 221 184.909 2.511 1.063 0.840 0.986 0.750 CB 1.821 221 residues pruned to eliminate duplicates Z: 130 135.586 2.515 0.968 0.841 0.961 0.659 CB 1.871 130 residues pruned to eliminate duplicates Z: 152 144.851 2.497 1.027 0.827 0.980 0.762 CB 1.791 152 residues pruned to eliminate duplicates Z: 133 148.772 2.541 1.169 0.826 0.977 0.720 CB 1.813 133 residues pruned to eliminate duplicates Z: 106 127.853 2.522 1.201 0.818 0.990 0.733 CB 1.722 106 residues pruned to eliminate duplicates Z: 220 177.397 2.507 1.017 0.832 0.973 0.753 CB 1.829 220 residues pruned to eliminate duplicates Z: 140 141.414 2.534 0.961 0.837 0.964 0.712 CB 1.873 140 residues pruned to eliminate duplicates Z: 29 71.762 2.612 1.056 0.856 0.893 0.750 CA 2.086 29 residues pruned to eliminate duplicates Z: 221 180.644 2.505 1.011 0.842 0.986 0.773 CB 1.827 221 residues pruned to eliminate duplicates Z: 175 155.185 2.491 1.035 0.840 0.971 0.753 CB 1.783 175 residues pruned to eliminate duplicates Z: 44 71.886 2.477 1.022 0.797 0.930 0.791 CB 1.814 44 residues pruned to eliminate duplicates Z: 43 74.298 2.526 0.958 0.814 0.952 0.833 CB 1.852 43 residues pruned to eliminate duplicates Z: 44 76.683 2.484 1.108 0.793 0.953 0.884 CB 1.812 42 residues pruned to eliminate duplicates Z: 23 55.897 2.396 0.984 0.916 0.909 0.773 CA 1.947 23 residues pruned to eliminate duplicates Z: 208 173.808 2.523 0.984 0.835 0.986 0.773 CB 1.835 208 residues pruned to eliminate duplicates Z: 53 74.566 2.469 0.929 0.789 0.923 0.788 CB 1.825 53 residues pruned to eliminate duplicates Z: 45 80.954 2.528 1.066 0.800 0.977 0.841 CB 1.839 46 residues pruned to eliminate duplicates Z: 24 63.841 2.341 1.135 0.913 0.957 0.783 CB 1.971 24 residues pruned to eliminate duplicates Z: 45 74.357 2.455 1.129 0.769 0.955 0.773 CB 1.770 45 residues pruned to eliminate duplicates Z: 208 180.316 2.525 1.036 0.839 0.986 0.768 CB 1.847 208 residues pruned to eliminate duplicates Z: 222 173.282 2.487 0.974 0.824 0.991 0.751 CB 1.810 222 residues pruned to eliminate duplicates Z: 142 135.236 2.510 0.919 0.811 0.957 0.723 CB 1.884 142 residues pruned to eliminate duplicates Z: 44 76.696 2.485 1.093 0.787 0.977 0.814 CB 1.790 44 residues pruned to eliminate duplicates Z: 220 176.207 2.500 1.042 0.812 0.973 0.731 CB 1.828 220 residues pruned to eliminate duplicates Z: 119 122.976 2.468 0.930 0.824 0.975 0.754 CB 1.842 119 residues pruned to eliminate duplicates Z: 130 137.577 2.536 0.945 0.846 0.969 0.775 CB 1.883 130 residues pruned to eliminate duplicates Z: 118 123.912 2.466 0.954 0.827 0.966 0.786 CB 1.855 118 residues pruned to eliminate duplicates Z: 118 127.779 2.483 0.957 0.828 0.974 0.718 CB 1.879 118 residues pruned to eliminate duplicates Z: 32 79.592 2.499 1.345 0.836 0.968 0.839 CB 1.887 32 residues pruned to eliminate duplicates Z: 59 81.731 2.439 1.051 0.761 0.948 0.759 CB 1.794 59 residues pruned to eliminate duplicates Z: 142 135.430 2.495 0.941 0.825 0.957 0.752 CB 1.856 142 residues pruned to eliminate duplicates Z: 221 179.157 2.500 1.032 0.822 0.986 0.755 CB 1.824 221 residues pruned to eliminate duplicates Z: 16 22.534 1.974 0.822 0.662 0.933 0.800 CB 1.491 16 residues pruned to eliminate duplicates Z: 219 184.690 2.517 1.060 0.838 0.991 0.752 CB 1.819 220 residues pruned to eliminate duplicates Z: 11 29.709 2.197 0.982 0.895 1.000 0.800 CB 1.547 11 residues pruned to eliminate duplicates Z: 14 33.124 2.158 0.980 0.777 1.000 0.846 CB 1.683 14 residues pruned to eliminate duplicates Z: 219 181.812 2.515 1.035 0.831 0.986 0.729 CB 1.832 219 residues pruned to eliminate duplicates Z: 127 126.837 2.475 0.954 0.814 0.952 0.770 CB 1.866 127 residues pruned to eliminate duplicates Z: 44 79.576 2.446 1.311 0.782 0.930 0.767 CB 1.801 44 residues pruned to eliminate duplicates Z: 15 27.650 2.034 1.096 0.753 0.857 0.643 CB 1.613 14 residues pruned to eliminate duplicates Z: 11 31.977 2.133 1.279 0.919 1.000 0.800 CB 1.466 11 residues pruned to eliminate duplicates Z: 12 29.322 2.108 1.021 0.912 1.000 0.727 CB 1.470 12 residues pruned to eliminate duplicates 217 residues left after pruning, divided into chains as follows: A: 184 B: 33 CC for partial structure against native data = 41.61 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.656, Connect. = 0.803 for dens.mod. cycle 1 = 0.300, Contrast = 0.743, Connect. = 0.825 for dens.mod. cycle 2 = 0.300, Contrast = 0.924, Connect. = 0.852 for dens.mod. cycle 3 = 0.300, Contrast = 0.942, Connect. = 0.854 for dens.mod. cycle 4 = 0.300, Contrast = 0.962, Connect. = 0.856 for dens.mod. cycle 5 = 0.300, Contrast = 0.967, Connect. = 0.857 for dens.mod. cycle 6 = 0.300, Contrast = 0.976, Connect. = 0.858 for dens.mod. cycle 7 = 0.300, Contrast = 0.978, Connect. = 0.859 for dens.mod. cycle 8 = 0.300, Contrast = 0.982, Connect. = 0.859 for dens.mod. cycle 9 = 0.300, Contrast = 0.983, 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 0.777 0.787 0.797 0.796 0.778 0.735 0.689 0.634 0.573 0.534 0.903 0.912 0.905 0.888 0.871 0.826 0.760 0.685 0.615 0.570 N 4100 4144 4150 4187 3908 4164 4431 3950 4055 3869 Estimated mean FOM = 0.711 Pseudo-free CC = 72.81 % Best trace (cycle 1 with CC 44.45%) was saved as ./2oc5-1.7-parrot-hancs/2oc5-1.7-parrot-hancs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.8 - Setup, data input and phasing 6.5 - FFTs and peak-searches 24.6 - Sphere of influence 0.4 - Rest of density modification 0.0 - Alpha-helix search 694.9 - Tripeptide search 16262.7 - Chain tracing 0.0 - NCS analysis 20.2 - B-value refinement for trace 0.3 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 19:27:56 Total time: 17010.61 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 284.91 Used memory is bytes: 16609984