++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 20:35:55 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: ./2ooc-1.6-parrot-mrncs/2ooc-1.6-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2ooc-1.6-parrot-mrncs/2ooc-1.6-parrot-mrncs.ins Phases from ./2ooc-1.6-parrot-mrncs/2ooc-1.6-parrot-mrncs.phi Native data from ./2ooc-1.6-parrot-mrncs/2ooc-1.6-parrot-mrncs.hkl Listing output to ./2ooc-1.6-parrot-mrncs/2ooc-1.6-parrot-mrncs.lst Phases output to ./2ooc-1.6-parrot-mrncs/2ooc-1.6-parrot-mrncs.phs Poly-Ala trace output to ./2ooc-1.6-parrot-mrncs/2ooc-1.6-parrot-mrncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 32 2 1 Allowed origin shift code: 10 37256 Reflections read from file ./2ooc-1.6-parrot-mrncs/2ooc-1.6-parrot-mrncs.phi 37256 Reflections read from file ./2ooc-1.6-parrot-mrncs/2ooc-1.6-parrot-mrncs.hkl 37256 Unique data, highest resolution = 1.570 Angstroms Anisotropic scaling: intensities multiplied by 0.000019h^2 +0.000019k^2 +0.000002l^2 +0.000000kl +0.000000hl +0.000019hk 20 Reflections with d > 1.770 and 0 in range 1.770 > d > 1.570 added Density sharpening factor set to 1.39 Fourier grid = 128 x 128 x 38 0.000 <= z <= 0.167 92 Point spherical net set up with radius 2.42A 40 Extra Fourier layers will be generated <|E^2-1|> = 0.644 ** -f missing ?? ** = 0.300, Contrast = 0.426, Connect. = 0.732 for dens.mod. cycle 1 = 0.300, Contrast = 0.567, Connect. = 0.760 for dens.mod. cycle 2 = 0.300, Contrast = 0.749, Connect. = 0.800 for dens.mod. cycle 3 = 0.300, Contrast = 0.801, Connect. = 0.811 for dens.mod. cycle 4 = 0.300, Contrast = 0.827, Connect. = 0.817 for dens.mod. cycle 5 = 0.300, Contrast = 0.841, Connect. = 0.821 for dens.mod. cycle 6 = 0.300, Contrast = 0.851, Connect. = 0.823 for dens.mod. cycle 7 = 0.300, Contrast = 0.856, Connect. = 0.825 for dens.mod. cycle 8 = 0.300, Contrast = 0.861, Connect. = 0.826 for dens.mod. cycle 9 = 0.300, Contrast = 0.864, Connect. = 0.827 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1099 peaks > 0.5 sigma used to seed fragment search Space for about 286 unique residues taking solvent into account 242 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 31 43.870 2.218 0.514 0.930 1.000 0.933 CB 1.668 B: 28 58.136 2.407 0.727 0.961 1.000 0.963 CB 1.842 C: 30 52.315 2.277 0.676 0.962 1.000 0.966 CB 1.741 29 residues pruned to eliminate duplicates D: 30 51.958 2.284 0.725 0.956 1.000 0.966 CB 1.682 31 residues pruned to eliminate duplicates E: 30 61.610 2.325 0.988 0.955 1.000 0.897 CB 1.702 29 residues pruned to eliminate duplicates F: 17 40.173 2.522 0.944 0.916 1.000 0.812 CB 1.446 G: 30 51.217 2.319 0.695 0.940 0.966 0.862 CB 1.740 30 residues pruned to eliminate duplicates H: 24 37.168 2.362 0.411 0.900 0.913 0.783 CB 1.819 I: 18 50.243 2.525 1.240 0.894 1.000 0.882 CB 1.546 J: 28 54.956 2.344 0.727 0.957 1.000 0.852 CB 1.793 28 residues pruned to eliminate duplicates K: 30 44.996 2.234 0.538 0.942 1.000 0.931 CB 1.687 30 residues pruned to eliminate duplicates L: 30 52.594 2.294 0.678 0.951 1.000 0.966 CB 1.748 30 residues pruned to eliminate duplicates M: 30 52.145 2.246 0.764 0.946 1.000 0.931 CB 1.691 30 residues pruned to eliminate duplicates N: 30 59.172 2.272 0.898 0.946 1.000 0.897 CB 1.763 30 residues pruned to eliminate duplicates O: 23 42.593 2.435 0.529 0.859 0.955 0.773 CB 1.881 24 residues pruned to eliminate duplicates P: 30 56.611 2.294 1.051 0.933 0.931 0.724 CB 1.675 30 residues pruned to eliminate duplicates Q: 23 38.231 2.366 0.464 0.895 0.955 0.864 CB 1.767 23 residues pruned to eliminate duplicates R: 30 45.566 2.300 0.559 0.933 0.966 0.897 CB 1.706 30 residues pruned to eliminate duplicates S: 31 46.449 2.227 0.583 0.936 1.000 0.833 CB 1.675 31 residues pruned to eliminate duplicates T: 31 43.029 2.203 0.492 0.953 1.000 1.000 CB 1.645 31 residues pruned to eliminate duplicates U: 29 48.700 2.330 0.566 0.954 1.000 0.893 CB 1.735 30 residues pruned to eliminate duplicates V: 21 48.778 2.422 0.881 0.931 0.950 0.800 CB 1.761 W: 30 47.561 2.265 0.595 0.951 1.000 0.931 CB 1.684 30 residues pruned to eliminate duplicates X: 25 49.154 2.341 0.849 0.887 0.958 0.750 CB 1.743 21 residues pruned to eliminate duplicates Y: 31 55.000 2.229 0.873 0.942 1.000 0.833 CB 1.668 31 residues pruned to eliminate duplicates Z: 22 37.685 2.180 0.675 0.893 1.000 0.905 CB 1.617 22 residues pruned to eliminate duplicates Z: 21 45.139 2.486 0.684 0.931 0.950 0.850 CB 1.775 21 residues pruned to eliminate duplicates Z: 29 58.308 2.277 0.892 0.963 1.000 1.000 CB 1.748 29 residues pruned to eliminate duplicates Z: 30 52.481 2.276 0.735 0.963 1.000 0.862 CB 1.687 30 residues pruned to eliminate duplicates Z: 23 46.343 2.408 0.704 0.892 0.955 0.864 CB 1.813 23 residues pruned to eliminate duplicates Z: 30 59.627 2.266 0.961 0.954 1.000 0.828 CB 1.715 30 residues pruned to eliminate duplicates Z: 14 34.257 2.486 0.736 0.926 1.000 0.923 CB 1.544 14 residues pruned to eliminate duplicates Z: 17 38.564 2.477 0.940 0.869 0.938 0.875 CB 1.563 17 residues pruned to eliminate duplicates Z: 30 58.439 2.271 0.912 0.966 1.000 0.897 CB 1.705 30 residues pruned to eliminate duplicates Z: 24 43.599 2.300 0.596 0.893 1.000 0.826 CB 1.778 24 residues pruned to eliminate duplicates Z: 31 46.139 2.197 0.644 0.946 1.000 0.833 CB 1.613 31 residues pruned to eliminate duplicates Z: 21 38.273 2.465 0.461 0.926 0.950 0.850 CB 1.755 21 residues pruned to eliminate duplicates Z: 28 56.590 2.321 0.864 0.945 1.000 0.889 CB 1.743 28 residues pruned to eliminate duplicates Z: 18 35.351 2.496 0.651 0.908 1.000 0.824 CB 1.478 18 residues pruned to eliminate duplicates Z: 31 44.452 2.180 0.557 0.929 1.000 0.867 CB 1.672 31 residues pruned to eliminate duplicates Z: 24 40.025 2.406 0.647 0.902 0.870 0.826 CB 1.728 24 residues pruned to eliminate duplicates Z: 17 42.799 2.516 1.077 0.902 1.000 0.688 CB 1.460 17 residues pruned to eliminate duplicates Z: 30 57.957 2.238 0.891 0.919 1.000 0.724 CB 1.793 30 residues pruned to eliminate duplicates Z: 30 59.275 2.287 0.917 0.959 1.000 0.966 CB 1.720 30 residues pruned to eliminate duplicates Z: 18 39.081 2.388 0.996 0.930 1.000 0.882 CB 1.390 18 residues pruned to eliminate duplicates Z: 22 46.496 2.426 0.761 0.948 0.905 0.762 CB 1.812 22 residues pruned to eliminate duplicates Z: 12 25.250 2.126 0.602 0.876 1.000 0.818 CB 1.625 Z: 18 31.508 2.415 0.711 0.887 1.000 0.824 CB 1.334 18 residues pruned to eliminate duplicates Z: 17 36.239 2.500 0.907 0.901 0.938 0.875 CB 1.446 17 residues pruned to eliminate duplicates Z: 19 49.433 2.393 1.324 0.907 1.000 0.833 CB 1.489 19 residues pruned to eliminate duplicates Z: 15 36.174 2.179 1.193 0.869 1.000 0.857 CB 1.478 Z: 24 45.628 2.308 0.687 0.890 0.957 0.739 CB 1.838 23 residues pruned to eliminate duplicates Z: 20 35.397 2.315 0.726 0.884 0.947 0.895 CB 1.550 20 residues pruned to eliminate duplicates Z: 19 49.261 2.409 1.353 0.870 1.000 0.778 CB 1.495 18 residues pruned to eliminate duplicates Z: 18 47.164 2.524 1.036 0.892 1.000 0.824 CB 1.599 18 residues pruned to eliminate duplicates Z: 30 62.785 2.266 1.039 0.944 1.000 0.862 CB 1.747 30 residues pruned to eliminate duplicates Z: 16 36.731 2.424 0.839 0.928 1.000 1.000 CB 1.489 16 residues pruned to eliminate duplicates Z: 20 41.434 2.293 1.108 0.862 1.000 0.842 CB 1.444 20 residues pruned to eliminate duplicates Z: 17 45.573 2.520 1.184 0.920 1.000 0.875 CB 1.458 17 residues pruned to eliminate duplicates Z: 23 35.839 2.374 0.360 0.892 1.000 0.818 CB 1.700 23 residues pruned to eliminate duplicates Z: 21 56.146 2.437 1.060 0.944 0.950 0.900 CB 1.822 21 residues pruned to eliminate duplicates Z: 28 49.626 2.287 0.758 0.942 1.000 0.963 CB 1.647 28 residues pruned to eliminate duplicates Z: 28 58.048 2.344 0.813 0.962 1.000 0.889 CB 1.799 28 residues pruned to eliminate duplicates Z: 28 43.048 2.300 0.459 0.942 1.000 0.926 CB 1.712 28 residues pruned to eliminate duplicates Z: 30 58.328 2.234 0.934 0.940 1.000 0.586 CB 1.742 30 residues pruned to eliminate duplicates Z: 23 45.066 2.460 0.654 0.934 0.909 0.818 CB 1.811 23 residues pruned to eliminate duplicates Z: 18 34.915 2.511 0.688 0.903 0.941 0.824 CB 1.513 18 residues pruned to eliminate duplicates Z: 14 41.706 2.293 1.176 0.907 1.000 0.692 CB 1.648 15 residues pruned to eliminate duplicates Z: 24 42.468 2.411 0.469 0.831 1.000 0.870 CB 1.878 24 residues pruned to eliminate duplicates Z: 30 51.802 2.251 0.725 0.960 1.000 0.931 CB 1.697 30 residues pruned to eliminate duplicates Z: 15 33.654 2.361 0.507 0.935 1.000 1.000 CB 1.761 15 residues pruned to eliminate duplicates Z: 24 50.974 2.405 1.046 0.916 0.870 0.739 CB 1.754 24 residues pruned to eliminate duplicates Z: 14 43.520 2.344 1.474 0.909 0.923 0.692 CB 1.600 14 residues pruned to eliminate duplicates Z: 24 37.824 2.371 0.414 0.825 0.957 0.739 CB 1.857 24 residues pruned to eliminate duplicates Z: 18 38.503 2.472 0.862 0.896 1.000 0.941 CB 1.453 18 residues pruned to eliminate duplicates Z: 30 58.270 2.261 0.922 0.952 1.000 0.966 CB 1.715 30 residues pruned to eliminate duplicates Z: 20 42.696 2.262 1.197 0.895 1.000 0.789 CB 1.413 20 residues pruned to eliminate duplicates Z: 17 37.630 2.489 0.986 0.860 1.000 0.812 CB 1.400 17 residues pruned to eliminate duplicates Z: 14 40.088 2.246 1.356 0.933 1.000 0.769 CB 1.466 14 residues pruned to eliminate duplicates Z: 25 37.701 2.309 0.565 0.902 0.958 0.750 CB 1.585 25 residues pruned to eliminate duplicates Z: 14 38.622 2.282 1.033 0.928 1.000 0.769 CB 1.617 14 residues pruned to eliminate duplicates Z: 29 58.029 2.296 0.899 0.954 1.000 0.929 CB 1.729 29 residues pruned to eliminate duplicates Z: 23 40.662 2.413 0.455 0.894 0.955 0.864 CB 1.856 23 residues pruned to eliminate duplicates Z: 29 43.532 2.276 0.510 0.938 1.000 0.964 CB 1.665 29 residues pruned to eliminate duplicates Z: 21 36.992 2.453 0.504 0.927 0.900 0.800 CB 1.746 21 residues pruned to eliminate duplicates Z: 30 45.087 2.245 0.473 0.955 1.000 0.931 CB 1.740 30 residues pruned to eliminate duplicates Z: 21 51.721 2.389 1.199 0.916 0.900 0.700 CB 1.728 21 residues pruned to eliminate duplicates Z: 19 39.557 2.308 1.097 0.898 1.000 0.889 CB 1.378 19 residues pruned to eliminate duplicates Z: 30 45.485 2.260 0.570 0.954 1.000 0.862 CB 1.638 30 residues pruned to eliminate duplicates Z: 14 40.744 2.189 1.134 0.946 1.000 0.923 CB 1.673 12 residues pruned to eliminate duplicates Z: 14 43.776 2.282 1.384 0.931 1.000 0.769 CB 1.560 14 residues pruned to eliminate duplicates Z: 17 47.017 2.337 1.054 0.872 1.000 0.625 CB 1.785 17 residues pruned to eliminate duplicates Z: 30 59.386 2.209 1.117 0.924 1.000 0.793 CB 1.656 30 residues pruned to eliminate duplicates Z: 22 56.249 2.490 1.018 0.927 0.952 0.762 CB 1.797 25 residues pruned to eliminate duplicates Z: 30 45.060 2.185 0.620 0.914 1.000 0.897 CB 1.672 30 residues pruned to eliminate duplicates Z: 29 62.650 2.297 1.000 0.960 1.000 0.857 CB 1.765 30 residues pruned to eliminate duplicates Z: 14 44.069 2.319 1.313 0.929 1.000 0.692 CB 1.595 14 residues pruned to eliminate duplicates Z: 23 39.624 2.274 0.582 0.870 1.000 0.909 CB 1.714 23 residues pruned to eliminate duplicates Z: 25 46.984 2.357 0.855 0.888 0.917 0.667 CB 1.725 25 residues pruned to eliminate duplicates Z: 14 37.128 2.121 1.238 0.913 1.000 0.923 CB 1.535 13 residues pruned to eliminate duplicates Z: 17 37.583 2.497 1.073 0.892 0.938 0.812 CB 1.391 17 residues pruned to eliminate duplicates Z: 23 37.353 2.436 0.375 0.857 0.955 0.818 CB 1.835 23 residues pruned to eliminate duplicates Z: 18 43.595 2.438 1.300 0.909 1.000 0.706 CB 1.338 18 residues pruned to eliminate duplicates Z: 18 38.852 2.473 0.962 0.914 0.941 0.882 CB 1.459 18 residues pruned to eliminate duplicates Z: 31 40.581 2.219 0.403 0.948 1.000 0.933 CB 1.643 31 residues pruned to eliminate duplicates Z: 24 36.046 2.390 0.504 0.919 0.826 0.783 CB 1.783 24 residues pruned to eliminate duplicates Z: 19 38.594 2.334 1.008 0.881 1.000 0.889 CB 1.406 19 residues pruned to eliminate duplicates Z: 33 42.736 2.161 0.524 0.936 1.000 0.906 CB 1.597 33 residues pruned to eliminate duplicates Z: 21 48.627 2.407 1.098 0.923 0.900 0.600 CB 1.681 21 residues pruned to eliminate duplicates Z: 15 26.423 2.005 0.566 0.925 1.000 0.929 CB 1.579 16 residues pruned to eliminate duplicates Z: 28 61.988 2.321 1.003 0.962 1.000 0.889 CB 1.755 28 residues pruned to eliminate duplicates Z: 14 44.176 2.313 1.292 0.938 1.000 0.692 CB 1.608 14 residues pruned to eliminate duplicates Z: 14 36.933 2.106 1.276 0.939 1.000 0.692 CB 1.485 14 residues pruned to eliminate duplicates Z: 20 55.464 2.464 1.140 0.948 0.947 0.842 CB 1.759 20 residues pruned to eliminate duplicates Z: 30 55.428 2.258 0.871 0.947 1.000 0.862 CB 1.685 30 residues pruned to eliminate duplicates Z: 122 82.106 2.296 0.770 0.768 0.942 0.752 CB 1.538 140 residues pruned to eliminate duplicates Z: 23 48.219 2.411 0.916 0.918 0.955 0.682 CB 1.644 23 residues pruned to eliminate duplicates Z: 25 44.497 2.397 0.594 0.840 0.958 0.750 CB 1.852 25 residues pruned to eliminate duplicates Z: 22 47.227 2.456 0.599 0.928 1.000 0.857 CB 1.837 22 residues pruned to eliminate duplicates Z: 30 62.549 2.303 1.135 0.942 0.966 0.862 CB 1.696 30 residues pruned to eliminate duplicates Z: 15 35.547 2.044 0.942 0.936 1.000 1.000 CB 1.667 15 residues pruned to eliminate duplicates Z: 30 63.084 2.258 1.179 0.944 1.000 0.828 CB 1.649 30 residues pruned to eliminate duplicates Z: 30 58.119 2.235 1.021 0.949 1.000 0.793 CB 1.649 30 residues pruned to eliminate duplicates Z: 24 33.868 2.308 0.320 0.897 0.957 0.826 CB 1.735 24 residues pruned to eliminate duplicates Z: 24 50.240 2.400 1.019 0.892 0.913 0.696 CB 1.701 24 residues pruned to eliminate duplicates Z: 28 61.431 2.314 1.134 0.930 0.963 0.778 CB 1.738 28 residues pruned to eliminate duplicates Z: 24 29.336 2.335 0.364 0.883 0.870 0.739 CB 1.597 24 residues pruned to eliminate duplicates Z: 90 81.031 2.391 0.647 0.808 0.978 0.854 CB 1.706 72 residues pruned to eliminate duplicates Z: 14 32.520 2.071 0.865 0.922 1.000 0.923 CB 1.642 14 residues pruned to eliminate duplicates Z: 13 37.010 2.218 1.202 0.925 1.000 0.667 CB 1.536 13 residues pruned to eliminate duplicates Z: 31 41.951 2.206 0.431 0.954 1.000 0.967 CB 1.669 31 residues pruned to eliminate duplicates Z: 30 53.990 2.231 0.930 0.925 0.931 0.793 CB 1.756 30 residues pruned to eliminate duplicates Z: 28 69.737 2.332 1.250 0.958 1.000 0.778 CB 1.755 28 residues pruned to eliminate duplicates Z: 30 64.640 2.291 1.134 0.954 1.000 0.724 CB 1.688 30 residues pruned to eliminate duplicates Z: 20 53.642 2.457 1.122 0.924 1.000 0.684 CB 1.658 20 residues pruned to eliminate duplicates Z: 23 39.558 2.352 0.402 0.911 1.000 0.909 CB 1.813 23 residues pruned to eliminate duplicates Z: 23 40.312 2.348 0.526 0.892 1.000 0.864 CB 1.724 23 residues pruned to eliminate duplicates Z: 23 43.095 2.427 0.525 0.858 1.000 0.818 CB 1.828 23 residues pruned to eliminate duplicates Z: 22 43.926 2.437 0.558 0.885 1.000 0.857 CB 1.823 22 residues pruned to eliminate duplicates Z: 12 26.075 2.184 0.681 0.911 0.909 0.545 CB 1.670 12 residues pruned to eliminate duplicates Z: 30 60.588 2.269 1.134 0.921 0.931 0.621 CB 1.755 30 residues pruned to eliminate duplicates Z: 14 32.381 2.057 1.158 0.919 1.000 0.769 CB 1.427 14 residues pruned to eliminate duplicates Z: 91 86.317 2.377 0.854 0.796 0.967 0.800 CB 1.648 91 residues pruned to eliminate duplicates Z: 21 41.104 2.429 1.095 0.804 0.950 0.900 CB 1.458 21 residues pruned to eliminate duplicates Z: 14 34.521 2.294 0.893 0.892 1.000 0.846 CB 1.583 14 residues pruned to eliminate duplicates Z: 13 34.399 2.203 1.054 0.905 1.000 0.750 CB 1.562 13 residues pruned to eliminate duplicates Z: 23 43.835 2.444 0.723 0.908 0.909 0.682 CB 1.734 23 residues pruned to eliminate duplicates Z: 14 38.039 2.162 1.195 0.937 1.000 0.769 CB 1.548 14 residues pruned to eliminate duplicates Z: 29 70.769 2.331 1.252 0.960 1.000 0.750 CB 1.745 29 residues pruned to eliminate duplicates Z: 33 43.381 2.377 0.843 0.696 0.875 0.625 CB 1.673 33 residues pruned to eliminate duplicates Z: 30 43.401 2.257 0.424 0.959 1.000 1.000 CB 1.719 30 residues pruned to eliminate duplicates Z: 21 57.233 2.452 1.411 0.946 0.900 0.450 CB 1.664 21 residues pruned to eliminate duplicates Z: 13 9.252 1.590 0.414 0.621 0.917 0.750 CB 1.156 Z: 16 31.112 2.406 0.563 0.917 1.000 1.000 CB 1.508 16 residues pruned to eliminate duplicates Z: 30 62.316 2.280 1.108 0.951 1.000 0.759 CB 1.659 30 residues pruned to eliminate duplicates Z: 31 41.882 2.176 0.475 0.940 1.000 1.000 CB 1.654 31 residues pruned to eliminate duplicates Z: 30 66.215 2.268 1.174 0.960 1.000 0.759 CB 1.708 30 residues pruned to eliminate duplicates Z: 20 37.789 2.376 1.174 0.603 0.947 0.526 CB 1.606 20 residues pruned to eliminate duplicates Z: 9 11.498 1.701 0.703 0.848 0.875 0.875 CB 1.190 9 residues pruned to eliminate duplicates Z: 20 44.913 2.248 1.139 0.905 1.000 0.947 CB 1.525 20 residues pruned to eliminate duplicates Z: 21 38.331 2.257 0.814 0.890 0.950 0.650 CB 1.586 21 residues pruned to eliminate duplicates Z: 31 44.797 2.170 0.678 0.945 1.000 0.833 CB 1.555 31 residues pruned to eliminate duplicates Z: 8 10.858 1.707 0.509 0.876 1.000 0.714 CB 1.158 8 residues pruned to eliminate duplicates Z: 30 64.779 2.253 1.197 0.945 1.000 0.793 CB 1.682 30 residues pruned to eliminate duplicates Z: 24 48.879 2.375 0.854 0.932 0.913 0.783 CB 1.770 24 residues pruned to eliminate duplicates Z: 14 34.323 2.244 0.795 0.921 1.000 0.846 CB 1.664 14 residues pruned to eliminate duplicates Z: 95 83.286 2.352 0.862 0.780 0.968 0.777 CB 1.583 95 residues pruned to eliminate duplicates Z: 30 66.598 2.279 1.149 0.962 1.000 0.862 CB 1.727 30 residues pruned to eliminate duplicates Z: 7 9.675 1.773 0.341 0.885 1.000 0.833 CB 1.199 7 residues pruned to eliminate duplicates Z: 9 8.592 1.683 0.255 0.818 1.000 0.875 CB 1.092 9 residues pruned to eliminate duplicates Z: 21 62.155 2.455 1.384 0.949 0.950 0.650 CB 1.725 21 residues pruned to eliminate duplicates Z: 20 38.157 2.244 1.024 0.896 0.947 0.895 CB 1.457 20 residues pruned to eliminate duplicates Z: 8 7.839 1.662 0.258 0.832 1.000 0.857 CB 1.064 8 residues pruned to eliminate duplicates Z: 19 41.866 2.404 1.297 0.696 1.000 0.500 CB 1.494 19 residues pruned to eliminate duplicates Z: 17 40.842 2.456 1.191 0.893 0.938 0.812 CB 1.452 17 residues pruned to eliminate duplicates Z: 30 70.032 2.278 1.305 0.951 1.000 0.621 CB 1.706 30 residues pruned to eliminate duplicates Z: 21 38.333 2.247 1.327 0.648 0.900 0.400 CB 1.587 21 residues pruned to eliminate duplicates Z: 64 66.646 2.348 0.793 0.820 0.952 0.889 CB 1.587 64 residues pruned to eliminate duplicates Z: 27 72.659 2.389 1.315 0.965 1.000 0.731 CB 1.759 27 residues pruned to eliminate duplicates Z: 19 31.067 2.286 0.941 0.853 0.944 0.889 CB 1.292 19 residues pruned to eliminate duplicates Z: 30 62.765 2.208 1.290 0.927 1.000 0.690 CB 1.615 30 residues pruned to eliminate duplicates Z: 19 44.130 2.332 1.281 0.903 1.000 0.722 CB 1.395 19 residues pruned to eliminate duplicates Z: 59 68.948 2.448 1.041 0.742 0.931 0.672 CB 1.568 59 residues pruned to eliminate duplicates Z: 8 16.843 2.278 1.027 0.853 1.000 0.429 CB 1.019 8 residues pruned to eliminate duplicates Z: 95 76.914 2.322 0.816 0.781 0.926 0.702 CB 1.587 95 residues pruned to eliminate duplicates Z: 36 54.281 2.503 0.656 0.739 0.971 0.800 CB 1.839 36 residues pruned to eliminate duplicates Z: 13 15.791 1.652 0.534 0.894 1.000 0.833 CB 1.290 13 residues pruned to eliminate duplicates Z: 73 66.779 2.348 0.926 0.697 0.931 0.708 CB 1.563 73 residues pruned to eliminate duplicates Z: 30 69.320 2.261 1.285 0.950 1.000 0.966 CB 1.718 30 residues pruned to eliminate duplicates Z: 57 54.349 2.309 0.645 0.786 0.964 0.750 CB 1.541 57 residues pruned to eliminate duplicates Z: 13 30.227 2.165 0.896 0.925 1.000 1.000 CB 1.492 13 residues pruned to eliminate duplicates Z: 18 53.157 2.516 1.438 0.895 0.941 0.765 CB 1.601 18 residues pruned to eliminate duplicates Z: 30 64.841 2.230 1.202 0.952 1.000 0.586 CB 1.688 30 residues pruned to eliminate duplicates Z: 49 63.035 2.459 0.826 0.743 0.938 0.792 CB 1.738 49 residues pruned to eliminate duplicates Z: 8 13.638 2.468 0.777 0.484 0.857 0.571 CB 1.394 Z: 9 10.260 1.679 0.485 0.877 1.000 0.500 CB 1.057 9 residues pruned to eliminate duplicates Z: 24 41.013 2.304 0.806 0.877 0.913 0.565 CB 1.635 24 residues pruned to eliminate duplicates Z: 30 63.176 2.243 1.220 0.946 1.000 0.793 CB 1.630 30 residues pruned to eliminate duplicates Z: 27 57.923 2.505 1.362 0.714 0.962 0.731 CB 1.644 27 residues pruned to eliminate duplicates Z: 21 30.455 2.111 0.363 0.846 1.000 0.850 CA 1.757 21 residues pruned to eliminate duplicates Z: 11 31.281 2.267 0.911 0.863 1.000 0.900 CB 1.675 8 residues pruned to eliminate duplicates Z: 49 56.264 2.382 0.758 0.732 0.938 0.750 CB 1.680 49 residues pruned to eliminate duplicates Z: 10 16.425 2.065 0.394 0.745 1.000 0.889 CB 1.528 10 residues pruned to eliminate duplicates Z: 23 38.745 2.350 0.367 0.897 1.000 0.955 CB 1.840 23 residues pruned to eliminate duplicates Z: 17 22.926 2.066 0.370 0.800 1.000 0.875 CB 1.557 17 residues pruned to eliminate duplicates Z: 6 5.016 1.874 0.446 0.248 0.800 0.600 CA 1.383 6 residues pruned to eliminate duplicates Z: 73 75.345 2.390 0.778 0.764 0.972 0.792 CB 1.700 73 residues pruned to eliminate duplicates Z: 18 42.344 2.521 0.942 0.899 1.000 0.882 CB 1.500 18 residues pruned to eliminate duplicates Z: 29 61.840 2.322 1.070 0.935 0.964 0.607 CB 1.757 29 residues pruned to eliminate duplicates Z: 8 8.651 1.640 0.170 0.907 1.000 0.857 CB 1.212 8 residues pruned to eliminate duplicates 192 residues left after pruning, divided into chains as follows: A: 13 B: 168 C: 11 CC for partial structure against native data = 40.19 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.571, Connect. = 0.759 for dens.mod. cycle 1 = 0.300, Contrast = 0.658, Connect. = 0.791 for dens.mod. cycle 2 = 0.300, Contrast = 0.803, Connect. = 0.820 for dens.mod. cycle 3 = 0.300, Contrast = 0.821, Connect. = 0.824 for dens.mod. cycle 4 = 0.300, Contrast = 0.839, Connect. = 0.826 for dens.mod. cycle 5 = 0.300, Contrast = 0.848, Connect. = 0.827 for dens.mod. cycle 6 = 0.300, Contrast = 0.856, Connect. = 0.828 for dens.mod. cycle 7 = 0.300, Contrast = 0.861, Connect. = 0.829 for dens.mod. cycle 8 = 0.300, Contrast = 0.865, Connect. = 0.830 for dens.mod. cycle 9 = 0.300, Contrast = 0.868, Connect. = 0.830 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1124 peaks > 0.5 sigma used to seed fragment search Space for about 286 unique residues taking solvent into account 241 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 30 53.978 2.335 0.604 0.936 1.000 0.828 CB 1.863 B: 30 55.029 2.343 0.698 0.952 1.000 0.931 CB 1.770 C: 29 54.283 2.363 0.709 0.968 0.964 0.929 CB 1.794 29 residues pruned to eliminate duplicates D: 23 42.765 2.515 0.398 0.879 1.000 0.818 CB 1.881 E: 29 54.628 2.369 0.626 0.931 1.000 0.857 CB 1.872 29 residues pruned to eliminate duplicates F: 18 45.407 2.653 0.610 0.931 0.941 0.882 CB 1.915 18 residues pruned to eliminate duplicates G: 32 49.597 2.305 0.543 0.925 1.000 0.903 CB 1.757 29 residues pruned to eliminate duplicates H: 18 49.247 2.607 1.003 0.900 1.000 0.824 CB 1.633 I: 30 52.643 2.315 0.576 0.923 1.000 0.862 CB 1.883 30 residues pruned to eliminate duplicates J: 18 48.481 2.556 1.092 0.876 1.000 0.765 CB 1.599 K: 30 42.477 2.319 0.315 0.960 1.000 1.000 CB 1.772 30 residues pruned to eliminate duplicates L: 30 58.410 2.311 0.840 0.954 1.000 0.897 CB 1.754 30 residues pruned to eliminate duplicates M: 23 44.147 2.451 0.493 0.896 1.000 0.818 CB 1.843 23 residues pruned to eliminate duplicates N: 30 67.578 2.345 0.984 0.947 1.000 0.793 CB 1.865 33 residues pruned to eliminate duplicates O: 30 55.690 2.374 0.624 0.934 1.000 0.759 CB 1.869 30 residues pruned to eliminate duplicates P: 30 58.125 2.324 0.734 0.940 0.966 0.862 CB 1.927 30 residues pruned to eliminate duplicates Q: 24 40.978 2.389 0.412 0.905 0.957 0.826 CB 1.885 24 residues pruned to eliminate duplicates R: 30 58.507 2.320 0.845 0.952 1.000 0.931 CB 1.748 30 residues pruned to eliminate duplicates S: 24 37.870 2.401 0.409 0.924 0.913 0.826 CB 1.796 T: 18 34.591 2.489 0.464 0.901 1.000 0.882 CB 1.643 18 residues pruned to eliminate duplicates U: 24 38.408 2.410 0.396 0.816 1.000 0.783 CB 1.809 24 residues pruned to eliminate duplicates V: 23 36.460 2.432 0.367 0.894 0.909 0.773 CB 1.844 23 residues pruned to eliminate duplicates W: 29 57.168 2.355 0.759 0.965 1.000 0.964 CB 1.780 29 residues pruned to eliminate duplicates X: 31 57.080 2.314 0.818 0.936 0.967 0.833 CB 1.784 31 residues pruned to eliminate duplicates Y: 29 42.738 2.433 0.328 0.939 0.964 0.964 CB 1.801 29 residues pruned to eliminate duplicates Z: 22 41.250 2.352 0.544 0.918 1.000 0.810 CB 1.748 22 residues pruned to eliminate duplicates Z: 30 54.604 2.324 0.829 0.942 0.966 0.828 CB 1.713 30 residues pruned to eliminate duplicates Z: 30 43.561 2.269 0.512 0.919 0.966 0.862 CB 1.721 30 residues pruned to eliminate duplicates Z: 17 35.366 2.531 0.628 0.901 0.938 0.812 CB 1.634 17 residues pruned to eliminate duplicates Z: 26 50.564 2.343 0.766 0.935 0.960 0.800 CB 1.774 26 residues pruned to eliminate duplicates Z: 23 42.682 2.427 0.544 0.894 0.955 0.864 CB 1.826 23 residues pruned to eliminate duplicates Z: 17 40.409 2.581 0.740 0.900 1.000 0.938 CB 1.607 17 residues pruned to eliminate duplicates Z: 24 37.505 2.384 0.451 0.898 0.957 0.783 CB 1.691 23 residues pruned to eliminate duplicates Z: 17 34.553 2.540 0.597 0.871 1.000 0.875 CB 1.553 17 residues pruned to eliminate duplicates Z: 30 59.950 2.385 0.788 0.931 0.966 0.828 CB 1.889 30 residues pruned to eliminate duplicates Z: 20 41.628 2.461 0.486 0.925 1.000 0.737 CB 1.832 20 residues pruned to eliminate duplicates Z: 21 47.055 2.482 0.578 0.948 1.000 0.950 CB 1.855 25 residues pruned to eliminate duplicates Z: 30 45.549 2.310 0.440 0.947 1.000 0.931 CB 1.756 30 residues pruned to eliminate duplicates Z: 23 45.154 2.444 0.490 0.909 1.000 0.818 CB 1.876 22 residues pruned to eliminate duplicates Z: 25 36.078 2.434 0.474 0.840 0.833 0.667 CB 1.838 25 residues pruned to eliminate duplicates Z: 14 36.473 2.167 1.114 0.847 0.923 0.769 CA 1.775 Z: 30 58.400 2.362 0.813 0.955 0.966 0.828 CB 1.802 30 residues pruned to eliminate duplicates Z: 17 40.801 2.594 0.712 0.905 1.000 0.875 CB 1.635 17 residues pruned to eliminate duplicates Z: 31 53.278 2.300 0.821 0.950 0.933 0.867 CB 1.716 31 residues pruned to eliminate duplicates Z: 30 41.505 2.299 0.352 0.950 1.000 0.931 CB 1.711 30 residues pruned to eliminate duplicates Z: 10 22.982 2.356 0.749 0.869 1.000 0.778 CB 1.358 10 residues pruned to eliminate duplicates Z: 15 33.343 2.313 0.870 0.836 0.929 0.714 CB 1.660 13 residues pruned to eliminate duplicates Z: 25 42.366 2.400 0.527 0.924 0.917 0.708 CB 1.808 21 residues pruned to eliminate duplicates Z: 14 45.757 2.418 0.984 0.920 1.000 0.769 CB 1.862 16 residues pruned to eliminate duplicates Z: 18 36.441 2.515 0.655 0.859 1.000 0.824 CB 1.562 18 residues pruned to eliminate duplicates Z: 24 32.812 2.372 0.385 0.887 0.870 0.783 CB 1.726 24 residues pruned to eliminate duplicates Z: 30 66.530 2.348 1.033 0.951 1.000 0.862 CB 1.784 30 residues pruned to eliminate duplicates Z: 17 46.454 2.575 1.013 0.907 1.000 0.938 CB 1.592 17 residues pruned to eliminate duplicates Z: 18 34.513 2.509 0.470 0.895 1.000 0.882 CB 1.627 18 residues pruned to eliminate duplicates Z: 21 32.772 2.416 0.296 0.875 0.950 0.750 CB 1.791 21 residues pruned to eliminate duplicates Z: 24 37.787 2.377 0.364 0.893 1.000 0.783 CB 1.745 24 residues pruned to eliminate duplicates Z: 18 38.770 2.466 0.708 0.899 1.000 0.882 CB 1.596 18 residues pruned to eliminate duplicates Z: 29 44.477 2.302 0.530 0.939 0.964 0.964 CB 1.720 29 residues pruned to eliminate duplicates Z: 23 36.963 2.420 0.357 0.901 0.955 0.818 CB 1.794 23 residues pruned to eliminate duplicates Z: 25 29.590 2.315 0.347 0.898 0.833 0.792 CB 1.663 25 residues pruned to eliminate duplicates Z: 29 59.639 2.347 0.901 0.957 1.000 0.821 CB 1.733 29 residues pruned to eliminate duplicates Z: 29 58.535 2.387 0.765 0.967 1.000 0.964 CB 1.790 29 residues pruned to eliminate duplicates Z: 18 33.932 2.479 0.621 0.882 0.941 0.824 CB 1.575 18 residues pruned to eliminate duplicates Z: 15 39.932 2.279 1.006 0.857 1.000 0.714 CB 1.720 15 residues pruned to eliminate duplicates Z: 14 36.987 2.259 0.802 0.923 1.000 1.000 CB 1.771 Z: 13 48.135 2.420 1.308 0.918 1.000 0.417 CB 1.755 13 residues pruned to eliminate duplicates Z: 24 46.965 2.486 0.633 0.835 0.957 0.783 CB 1.890 24 residues pruned to eliminate duplicates Z: 18 43.390 2.501 0.772 0.917 1.000 0.765 CB 1.675 17 residues pruned to eliminate duplicates Z: 30 64.857 2.315 1.079 0.954 1.000 0.759 CB 1.721 30 residues pruned to eliminate duplicates Z: 30 62.830 2.338 0.985 0.941 1.000 0.931 CB 1.745 30 residues pruned to eliminate duplicates Z: 15 47.241 2.270 1.282 0.932 1.000 0.786 CB 1.702 14 residues pruned to eliminate duplicates Z: 20 45.979 2.375 1.180 0.845 0.947 0.789 CB 1.599 20 residues pruned to eliminate duplicates Z: 18 45.925 2.566 0.879 0.899 1.000 0.824 CB 1.651 18 residues pruned to eliminate duplicates Z: 22 52.048 2.475 0.843 0.917 0.952 0.810 CB 1.844 25 residues pruned to eliminate duplicates Z: 23 41.551 2.508 0.429 0.879 0.955 0.818 CB 1.878 23 residues pruned to eliminate duplicates Z: 29 62.969 2.355 0.968 0.956 1.000 0.893 CB 1.763 29 residues pruned to eliminate duplicates Z: 15 31.347 2.067 0.885 0.868 1.000 0.714 CB 1.572 15 residues pruned to eliminate duplicates Z: 14 56.652 2.389 1.412 0.940 1.000 0.385 CB 1.893 15 residues pruned to eliminate duplicates Z: 24 43.251 2.441 0.669 0.921 0.870 0.739 CB 1.791 24 residues pruned to eliminate duplicates Z: 23 48.542 2.405 0.865 0.936 0.909 0.545 CB 1.767 23 residues pruned to eliminate duplicates Z: 14 26.310 2.211 0.339 0.914 1.000 1.000 CB 1.744 14 residues pruned to eliminate duplicates Z: 24 38.127 2.381 0.458 0.844 0.913 0.696 CB 1.866 24 residues pruned to eliminate duplicates Z: 14 40.456 2.240 0.997 0.940 1.000 0.923 CB 1.742 14 residues pruned to eliminate duplicates Z: 24 44.668 2.407 0.576 0.859 0.957 0.739 CB 1.888 24 residues pruned to eliminate duplicates Z: 17 45.693 2.578 0.981 0.914 1.000 0.875 CB 1.582 17 residues pruned to eliminate duplicates Z: 22 46.910 2.470 0.503 0.908 1.000 0.857 CB 1.959 22 residues pruned to eliminate duplicates Z: 24 40.451 2.390 0.530 0.896 0.957 0.783 CB 1.728 24 residues pruned to eliminate duplicates Z: 29 58.013 2.374 0.786 0.953 1.000 0.929 CB 1.780 29 residues pruned to eliminate duplicates Z: 31 42.362 2.223 0.497 0.917 1.000 0.833 CB 1.640 31 residues pruned to eliminate duplicates Z: 17 37.955 2.573 0.763 0.903 0.938 0.875 CB 1.590 17 residues pruned to eliminate duplicates Z: 14 43.870 2.203 1.308 0.907 1.000 0.769 CB 1.701 14 residues pruned to eliminate duplicates Z: 30 61.815 2.338 0.936 0.965 0.966 0.897 CB 1.793 30 residues pruned to eliminate duplicates Z: 25 38.016 2.152 0.864 0.846 0.917 0.750 CB 1.568 25 residues pruned to eliminate duplicates Z: 25 45.202 2.356 0.801 0.860 0.917 0.625 CB 1.744 25 residues pruned to eliminate duplicates Z: 20 39.763 2.331 0.793 0.849 0.947 0.737 CB 1.708 20 residues pruned to eliminate duplicates Z: 23 36.746 2.417 0.318 0.895 0.955 0.773 CB 1.847 23 residues pruned to eliminate duplicates Z: 14 39.452 2.240 1.006 0.931 1.000 0.923 CB 1.702 14 residues pruned to eliminate duplicates Z: 25 46.995 2.359 0.750 0.910 0.917 0.667 CB 1.799 25 residues pruned to eliminate duplicates Z: 21 50.772 2.436 0.904 0.931 0.950 0.950 CB 1.800 21 residues pruned to eliminate duplicates Z: 16 34.444 2.521 0.371 0.937 0.933 0.867 CB 1.919 16 residues pruned to eliminate duplicates Z: 20 36.575 2.362 0.827 0.884 0.895 0.842 CB 1.571 20 residues pruned to eliminate duplicates Z: 13 35.723 2.303 0.846 0.921 1.000 0.833 CB 1.707 13 residues pruned to eliminate duplicates Z: 30 50.656 2.313 0.655 0.925 1.000 0.828 CB 1.724 30 residues pruned to eliminate duplicates Z: 24 43.109 2.411 0.470 0.898 1.000 0.957 CB 1.815 24 residues pruned to eliminate duplicates Z: 24 46.448 2.476 0.618 0.912 0.913 0.826 CB 1.874 22 residues pruned to eliminate duplicates Z: 23 42.005 2.493 0.439 0.869 0.955 0.818 CB 1.911 23 residues pruned to eliminate duplicates Z: 22 36.147 2.429 0.273 0.908 1.000 0.810 CB 1.811 22 residues pruned to eliminate duplicates Z: 8 25.985 2.627 0.747 0.649 0.857 0.429 CB 2.172 8 residues pruned to eliminate duplicates Z: 22 38.204 2.260 1.198 0.612 0.905 0.571 CB 1.668 22 residues pruned to eliminate duplicates Z: 13 39.369 2.267 1.017 0.938 1.000 0.750 CB 1.728 13 residues pruned to eliminate duplicates Z: 30 64.491 2.298 1.032 0.951 1.000 0.724 CB 1.768 30 residues pruned to eliminate duplicates Z: 13 28.131 2.223 0.628 0.919 1.000 0.917 CB 1.581 13 residues pruned to eliminate duplicates Z: 24 39.381 2.395 0.694 0.868 0.870 0.739 CB 1.702 24 residues pruned to eliminate duplicates Z: 22 67.715 2.551 1.477 0.925 0.905 0.619 CB 1.813 22 residues pruned to eliminate duplicates Z: 14 36.924 2.193 1.102 0.932 1.000 0.923 CB 1.551 14 residues pruned to eliminate duplicates Z: 30 43.916 2.288 0.476 0.926 1.000 0.931 CB 1.694 30 residues pruned to eliminate duplicates Z: 47 53.815 2.459 0.581 0.754 0.957 0.826 CB 1.701 45 residues pruned to eliminate duplicates Z: 15 31.108 2.120 0.562 0.937 1.000 1.000 CB 1.747 15 residues pruned to eliminate duplicates Z: 30 65.653 2.308 1.058 0.949 1.000 0.724 CB 1.772 30 residues pruned to eliminate duplicates Z: 30 53.461 2.341 0.737 0.945 0.966 0.897 CB 1.751 30 residues pruned to eliminate duplicates Z: 13 38.044 2.287 1.146 0.931 1.000 0.667 CB 1.563 13 residues pruned to eliminate duplicates Z: 23 56.224 2.499 0.967 0.907 0.955 0.591 CB 1.816 24 residues pruned to eliminate duplicates Z: 31 56.720 2.314 0.846 0.931 0.967 0.733 CB 1.752 31 residues pruned to eliminate duplicates Z: 21 60.553 2.434 1.093 0.943 1.000 0.750 CB 1.841 21 residues pruned to eliminate duplicates Z: 23 38.292 2.280 1.004 0.837 0.818 0.409 CB 1.635 23 residues pruned to eliminate duplicates Z: 6 8.214 2.040 1.124 0.661 0.800 0.400 CB 0.912 Z: 21 60.083 2.470 1.048 0.931 1.000 0.600 CB 1.857 21 residues pruned to eliminate duplicates Z: 30 65.873 2.308 1.055 0.956 1.000 0.759 CB 1.771 30 residues pruned to eliminate duplicates Z: 13 34.952 2.296 0.752 0.935 1.000 1.000 CB 1.747 13 residues pruned to eliminate duplicates Z: 25 42.470 2.486 1.012 0.736 0.875 0.625 CB 1.603 23 residues pruned to eliminate duplicates Z: 14 34.035 2.300 0.790 0.906 1.000 0.769 CB 1.631 14 residues pruned to eliminate duplicates Z: 30 66.590 2.317 0.993 0.927 1.000 0.828 CB 1.876 30 residues pruned to eliminate duplicates Z: 18 38.446 2.313 0.787 0.928 1.000 0.941 CB 1.579 18 residues pruned to eliminate duplicates Z: 30 39.374 2.271 0.269 0.939 1.000 0.931 CB 1.762 30 residues pruned to eliminate duplicates Z: 18 49.632 2.549 1.058 0.890 1.000 0.824 CB 1.651 18 residues pruned to eliminate duplicates Z: 30 45.489 2.298 0.417 0.951 1.000 0.966 CB 1.788 30 residues pruned to eliminate duplicates Z: 18 42.048 2.538 0.836 0.885 1.000 0.824 CB 1.580 18 residues pruned to eliminate duplicates Z: 22 39.223 2.496 0.381 0.888 1.000 0.810 CB 1.789 22 residues pruned to eliminate duplicates Z: 17 50.940 2.597 1.011 0.909 1.000 0.938 CB 1.730 17 residues pruned to eliminate duplicates Z: 30 71.274 2.296 1.207 0.924 1.000 0.552 CB 1.835 30 residues pruned to eliminate duplicates Z: 14 32.570 2.217 0.592 0.918 1.000 0.846 CB 1.804 14 residues pruned to eliminate duplicates Z: 29 57.572 2.301 0.950 0.954 1.000 0.571 CB 1.667 29 residues pruned to eliminate duplicates Z: 16 33.361 2.466 0.550 0.939 1.000 1.000 CB 1.566 16 residues pruned to eliminate duplicates Z: 14 42.265 2.245 1.106 0.897 1.000 0.692 CB 1.775 14 residues pruned to eliminate duplicates Z: 19 41.358 2.448 1.117 0.853 0.889 0.889 CB 1.564 19 residues pruned to eliminate duplicates Z: 22 37.201 2.451 0.394 0.902 0.952 0.714 CB 1.779 22 residues pruned to eliminate duplicates Z: 17 34.978 2.496 0.657 0.905 1.000 0.875 CB 1.505 17 residues pruned to eliminate duplicates Z: 23 36.236 2.411 0.270 0.923 0.955 0.818 CB 1.858 23 residues pruned to eliminate duplicates Z: 30 68.534 2.337 1.201 0.946 1.000 0.931 CB 1.711 30 residues pruned to eliminate duplicates Z: 19 31.758 2.357 0.687 0.854 0.944 0.667 CB 1.472 19 residues pruned to eliminate duplicates Z: 19 36.878 2.486 0.506 0.920 1.000 0.889 CB 1.634 19 residues pruned to eliminate duplicates Z: 13 34.322 2.224 0.779 0.936 1.000 0.833 CB 1.744 13 residues pruned to eliminate duplicates Z: 14 7.343 1.631 0.257 0.482 0.923 0.615 CB 1.096 Z: 25 54.274 2.382 1.085 0.934 0.917 0.625 CB 1.697 23 residues pruned to eliminate duplicates Z: 24 37.415 2.373 0.604 0.846 0.870 0.696 CB 1.752 24 residues pruned to eliminate duplicates Z: 30 69.117 2.351 1.171 0.948 0.966 0.862 CB 1.799 30 residues pruned to eliminate duplicates Z: 13 26.963 2.246 0.629 0.918 1.000 0.750 CB 1.500 13 residues pruned to eliminate duplicates Z: 25 45.427 2.272 0.818 0.910 0.917 0.625 CB 1.737 25 residues pruned to eliminate duplicates Z: 6 7.823 2.128 0.094 0.651 0.800 0.400 CB 1.633 6 residues pruned to eliminate duplicates Z: 31 59.605 2.266 1.033 0.941 0.967 0.767 CB 1.695 31 residues pruned to eliminate duplicates Z: 23 54.477 2.410 1.154 0.924 0.955 0.727 CB 1.645 23 residues pruned to eliminate duplicates Z: 29 48.302 2.436 0.948 0.777 0.893 0.750 CB 1.688 28 residues pruned to eliminate duplicates Z: 30 42.588 2.245 0.423 0.929 1.000 0.897 CB 1.732 30 residues pruned to eliminate duplicates Z: 20 46.000 2.317 1.028 0.895 1.000 0.842 CB 1.610 20 residues pruned to eliminate duplicates Z: 28 68.646 2.384 1.075 0.953 1.000 0.778 CB 1.837 28 residues pruned to eliminate duplicates Z: 30 71.243 2.302 1.182 0.925 1.000 0.690 CB 1.847 30 residues pruned to eliminate duplicates Z: 19 37.698 2.394 0.708 0.880 1.000 0.944 CB 1.574 19 residues pruned to eliminate duplicates Z: 30 49.101 2.278 0.726 0.948 0.966 0.759 CB 1.658 30 residues pruned to eliminate duplicates Z: 8 9.502 1.803 0.321 0.851 1.000 0.714 CB 1.116 10 residues pruned to eliminate duplicates Z: 64 71.028 2.513 0.788 0.721 0.937 0.698 CB 1.741 64 residues pruned to eliminate duplicates Z: 30 70.456 2.322 1.149 0.944 1.000 0.828 CB 1.815 30 residues pruned to eliminate duplicates Z: 24 65.026 2.379 1.363 0.947 0.957 0.478 CB 1.742 24 residues pruned to eliminate duplicates Z: 17 42.145 2.485 0.874 0.920 1.000 0.938 CB 1.594 17 residues pruned to eliminate duplicates Z: 31 64.779 2.304 1.157 0.933 0.933 0.700 CB 1.779 31 residues pruned to eliminate duplicates Z: 32 46.477 2.445 0.858 0.706 0.903 0.645 CB 1.688 29 residues pruned to eliminate duplicates Z: 7 7.045 1.640 0.382 0.801 1.000 0.833 CB 0.975 6 residues pruned to eliminate duplicates Z: 19 29.458 2.188 0.602 0.879 0.944 0.889 CB 1.522 19 residues pruned to eliminate duplicates Z: 17 42.639 2.461 1.152 0.900 0.938 0.750 CB 1.534 17 residues pruned to eliminate duplicates Z: 20 68.784 2.640 1.190 0.957 0.947 0.579 CB 1.978 20 residues pruned to eliminate duplicates Z: 30 63.050 2.290 1.073 0.951 1.000 0.862 CB 1.700 30 residues pruned to eliminate duplicates Z: 27 24.975 2.047 0.263 0.702 0.923 0.692 CA 1.706 27 residues pruned to eliminate duplicates Z: 11 10.217 2.277 0.377 0.426 0.800 0.500 CB 1.390 14 residues pruned to eliminate duplicates Z: 8 6.095 1.719 -0.040 0.826 1.000 0.857 CB 1.053 8 residues pruned to eliminate duplicates Z: 18 49.320 2.587 1.208 0.884 0.941 0.882 CB 1.608 18 residues pruned to eliminate duplicates Z: 32 49.605 2.264 0.995 0.717 0.968 0.645 CB 1.674 30 residues pruned to eliminate duplicates Z: 22 40.883 2.391 0.549 0.880 1.000 0.714 CB 1.746 22 residues pruned to eliminate duplicates Z: 9 29.974 2.060 1.437 0.814 1.000 0.625 CB 1.607 9 residues pruned to eliminate duplicates Z: 17 53.185 2.539 1.315 0.894 1.000 0.812 CB 1.622 17 residues pruned to eliminate duplicates Z: 94 87.533 2.415 0.853 0.799 0.935 0.796 CB 1.669 97 residues pruned to eliminate duplicates Z: 32 42.764 2.252 0.399 0.925 1.000 0.806 CB 1.710 32 residues pruned to eliminate duplicates Z: 72 90.094 2.511 0.965 0.751 0.958 0.789 CB 1.810 72 residues pruned to eliminate duplicates Z: 19 28.262 2.191 0.417 0.811 1.000 0.944 CB 1.637 19 residues pruned to eliminate duplicates Z: 30 59.069 2.347 0.871 0.937 1.000 0.828 CB 1.739 30 residues pruned to eliminate duplicates Z: 30 68.132 2.283 1.142 0.904 1.000 0.655 CB 1.842 30 residues pruned to eliminate duplicates Z: 6 6.059 1.766 0.855 0.364 0.800 0.800 CB 1.197 6 residues pruned to eliminate duplicates Z: 14 8.800 1.565 0.502 0.608 0.846 0.615 CB 1.108 14 residues pruned to eliminate duplicates Z: 84 91.644 2.480 1.047 0.747 0.940 0.687 CB 1.690 84 residues pruned to eliminate duplicates Z: 16 35.444 2.115 1.001 0.889 1.000 0.733 CB 1.557 16 residues pruned to eliminate duplicates Z: 19 39.105 2.473 0.840 0.680 1.000 0.556 CB 1.717 19 residues pruned to eliminate duplicates Z: 31 68.955 2.244 1.289 0.931 1.000 0.467 CB 1.714 31 residues pruned to eliminate duplicates Z: 38 61.594 2.515 0.691 0.754 1.000 0.811 CB 1.898 38 residues pruned to eliminate duplicates Z: 30 67.778 2.267 1.269 0.936 1.000 0.379 CB 1.704 30 residues pruned to eliminate duplicates Z: 26 35.763 2.433 0.872 0.624 0.880 0.680 CB 1.588 26 residues pruned to eliminate duplicates Z: 35 51.247 2.483 0.900 0.676 0.941 0.588 CB 1.683 35 residues pruned to eliminate duplicates Z: 9 9.101 1.729 0.467 0.821 0.875 0.625 CB 1.098 9 residues pruned to eliminate duplicates Z: 37 55.318 2.478 0.640 0.752 0.972 0.833 CB 1.864 37 residues pruned to eliminate duplicates Z: 32 43.210 2.482 0.462 0.721 0.935 0.871 CB 1.872 32 residues pruned to eliminate duplicates Z: 17 16.459 1.933 0.199 0.855 1.000 0.812 CB 1.310 17 residues pruned to eliminate duplicates Z: 15 24.795 2.010 0.449 0.947 1.000 1.000 CA 1.573 15 residues pruned to eliminate duplicates Z: 60 54.914 2.288 0.668 0.761 0.915 0.847 CB 1.623 60 residues pruned to eliminate duplicates Z: 31 63.311 2.320 1.035 0.941 0.967 0.767 CB 1.757 31 residues pruned to eliminate duplicates Z: 17 31.721 2.241 1.079 0.759 0.875 0.312 CB 1.545 17 residues pruned to eliminate duplicates Z: 9 16.297 2.030 0.592 0.710 1.000 0.625 CB 1.474 9 residues pruned to eliminate duplicates Z: 24 37.979 2.392 0.357 0.873 1.000 0.783 CB 1.777 24 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 59 51.474 2.343 0.589 0.702 0.948 0.690 CB 1.593 59 residues pruned to eliminate duplicates Z: 12 11.773 1.838 0.584 0.606 0.909 0.727 CB 1.213 13 residues pruned to eliminate duplicates Z: 14 7.569 1.638 0.302 0.663 0.846 0.769 CB 1.000 14 residues pruned to eliminate duplicates Z: 13 8.945 1.680 0.342 0.599 0.917 0.750 CB 1.138 13 residues pruned to eliminate duplicates Z: 105 74.909 2.350 0.513 0.757 0.981 0.798 CB 1.675 117 residues pruned to eliminate duplicates Z: 89 75.174 2.433 0.658 0.724 0.966 0.784 CB 1.679 89 residues pruned to eliminate duplicates Z: 81 66.533 2.350 0.722 0.689 0.950 0.713 CB 1.628 81 residues pruned to eliminate duplicates Z: 42 44.577 2.197 1.099 0.677 0.927 0.659 CB 1.383 42 residues pruned to eliminate duplicates Z: 14 9.315 1.695 0.446 0.536 0.923 0.692 CB 1.102 Z: 9 9.084 1.732 0.247 0.881 1.000 1.000 CB 1.077 11 residues pruned to eliminate duplicates Z: 9 10.430 1.756 0.463 0.871 1.000 0.750 CB 1.047 9 residues pruned to eliminate duplicates Z: 23 34.796 2.416 0.265 0.896 0.955 0.818 CB 1.822 23 residues pruned to eliminate duplicates Z: 24 37.794 2.362 0.382 0.903 0.957 0.826 CB 1.799 24 residues pruned to eliminate duplicates Z: 90 87.685 2.499 0.643 0.806 0.966 0.798 CB 1.794 90 residues pruned to eliminate duplicates Z: 91 84.072 2.460 0.623 0.800 0.967 0.833 CB 1.766 90 residues pruned to eliminate duplicates Z: 24 39.721 2.386 0.441 0.903 0.957 0.696 CB 1.796 24 residues pruned to eliminate duplicates Z: 90 89.638 2.492 0.685 0.802 0.966 0.809 CB 1.798 90 residues pruned to eliminate duplicates Z: 45 61.311 2.549 0.673 0.784 0.955 0.795 CB 1.768 45 residues pruned to eliminate duplicates Z: 90 90.708 2.498 0.718 0.807 0.966 0.764 CB 1.774 90 residues pruned to eliminate duplicates Z: 49 57.737 2.494 0.730 0.727 0.896 0.771 CB 1.757 49 residues pruned to eliminate duplicates Z: 44 67.692 2.565 0.712 0.805 1.000 0.814 CB 1.801 44 residues pruned to eliminate duplicates Z: 46 59.580 2.552 0.624 0.765 0.956 0.733 CB 1.772 46 residues pruned to eliminate duplicates Z: 91 83.524 2.468 0.598 0.803 0.978 0.744 CB 1.753 91 residues pruned to eliminate duplicates Z: 91 84.402 2.456 0.630 0.804 0.967 0.778 CB 1.763 91 residues pruned to eliminate duplicates Z: 24 39.460 2.367 0.510 0.872 0.957 0.870 CB 1.755 24 residues pruned to eliminate duplicates Z: 88 74.913 2.418 0.599 0.785 0.954 0.782 CB 1.695 88 residues pruned to eliminate duplicates Z: 23 41.299 2.500 0.467 0.829 0.955 0.773 CB 1.894 23 residues pruned to eliminate duplicates Z: 91 89.255 2.476 0.671 0.802 0.989 0.789 CB 1.766 91 residues pruned to eliminate duplicates Z: 89 86.093 2.525 0.566 0.804 0.989 0.818 CB 1.800 89 residues pruned to eliminate duplicates Z: 24 41.188 2.417 0.458 0.854 1.000 0.783 CB 1.800 24 residues pruned to eliminate duplicates Z: 68 73.386 2.503 0.808 0.735 0.925 0.776 CB 1.734 68 residues pruned to eliminate duplicates Z: 91 80.891 2.464 0.532 0.800 0.978 0.778 CB 1.776 91 residues pruned to eliminate duplicates Z: 90 90.039 2.498 0.689 0.801 0.978 0.820 CB 1.778 90 residues pruned to eliminate duplicates Z: 6 10.517 2.295 0.859 0.382 0.800 0.400 CA 1.562 6 residues pruned to eliminate duplicates Z: 45 64.437 2.558 0.791 0.788 0.955 0.818 CB 1.725 45 residues pruned to eliminate duplicates Z: 69 72.518 2.544 0.700 0.753 0.941 0.779 CB 1.725 69 residues pruned to eliminate duplicates Z: 168 115.099 2.436 0.744 0.790 0.958 0.772 CB 1.696 185 residues pruned to eliminate duplicates Z: 18 42.215 2.571 0.806 0.880 1.000 0.824 CB 1.598 18 residues pruned to eliminate duplicates Z: 91 86.395 2.470 0.679 0.807 0.944 0.844 CB 1.779 91 residues pruned to eliminate duplicates Z: 91 85.412 2.461 0.596 0.809 0.989 0.822 CB 1.770 91 residues pruned to eliminate duplicates Z: 99 78.249 2.421 0.548 0.771 0.969 0.776 CB 1.712 99 residues pruned to eliminate duplicates Z: 45 64.704 2.551 0.798 0.783 0.932 0.841 CB 1.779 45 residues pruned to eliminate duplicates Z: 48 57.423 2.488 0.642 0.747 0.936 0.745 CB 1.756 48 residues pruned to eliminate duplicates Z: 168 105.479 2.422 0.629 0.779 0.946 0.784 CB 1.710 168 residues pruned to eliminate duplicates Z: 91 86.004 2.468 0.641 0.798 0.967 0.822 CB 1.784 91 residues pruned to eliminate duplicates Z: 46 63.716 2.547 0.790 0.767 0.933 0.778 CB 1.762 46 residues pruned to eliminate duplicates Z: 91 84.319 2.465 0.596 0.799 0.978 0.844 CB 1.779 91 residues pruned to eliminate duplicates Z: 47 58.458 2.512 0.645 0.747 0.935 0.804 CB 1.791 47 residues pruned to eliminate duplicates Z: 69 78.706 2.548 0.778 0.758 0.956 0.779 CB 1.752 69 residues pruned to eliminate duplicates Z: 91 89.630 2.479 0.762 0.803 0.944 0.811 CB 1.758 91 residues pruned to eliminate duplicates Z: 91 87.113 2.475 0.644 0.800 0.978 0.878 CB 1.776 91 residues pruned to eliminate duplicates Z: 91 85.085 2.467 0.646 0.808 0.956 0.800 CB 1.767 91 residues pruned to eliminate duplicates Z: 43 66.385 2.566 0.772 0.797 0.952 0.738 CB 1.824 43 residues pruned to eliminate duplicates Z: 69 72.142 2.541 0.623 0.754 0.985 0.824 CB 1.717 69 residues pruned to eliminate duplicates Z: 90 86.109 2.494 0.625 0.807 0.955 0.798 CB 1.805 90 residues pruned to eliminate duplicates Z: 73 69.866 2.386 0.685 0.755 0.958 0.806 CB 1.702 73 residues pruned to eliminate duplicates Z: 91 83.502 2.468 0.605 0.796 0.978 0.811 CB 1.753 91 residues pruned to eliminate duplicates Z: 91 90.505 2.463 0.750 0.802 0.967 0.789 CB 1.758 91 residues pruned to eliminate duplicates Z: 166 106.259 2.406 0.678 0.772 0.939 0.733 CB 1.714 166 residues pruned to eliminate duplicates Z: 90 83.799 2.464 0.622 0.800 0.955 0.820 CB 1.790 90 residues pruned to eliminate duplicates Z: 68 77.622 2.552 0.775 0.758 0.955 0.776 CB 1.742 68 residues pruned to eliminate duplicates Z: 67 78.051 2.550 0.815 0.751 0.955 0.727 CB 1.738 67 residues pruned to eliminate duplicates Z: 69 81.195 2.538 0.827 0.760 0.956 0.809 CB 1.763 69 residues pruned to eliminate duplicates Z: 15 50.850 2.296 1.463 0.928 1.000 0.857 CB 1.682 15 residues pruned to eliminate duplicates Z: 91 87.826 2.471 0.668 0.805 0.978 0.811 CB 1.760 91 residues pruned to eliminate duplicates Z: 49 60.253 2.345 0.640 0.803 0.979 0.750 CB 1.772 49 residues pruned to eliminate duplicates Z: 95 83.377 2.433 0.680 0.779 0.957 0.777 CB 1.717 95 residues pruned to eliminate duplicates Z: 68 74.965 2.531 0.739 0.760 0.940 0.806 CB 1.757 68 residues pruned to eliminate duplicates Z: 96 86.407 2.411 0.751 0.769 0.947 0.758 CB 1.747 96 residues pruned to eliminate duplicates Z: 91 89.192 2.471 0.704 0.810 0.967 0.811 CB 1.763 91 residues pruned to eliminate duplicates Z: 17 29.668 2.435 0.293 0.826 0.938 0.875 CB 1.894 17 residues pruned to eliminate duplicates Z: 91 87.375 2.468 0.670 0.804 0.978 0.811 CB 1.753 91 residues pruned to eliminate duplicates Z: 24 51.906 2.535 1.138 0.720 0.957 0.783 CB 1.711 24 residues pruned to eliminate duplicates Z: 32 56.529 2.575 0.846 0.750 0.968 0.806 CB 1.765 32 residues pruned to eliminate duplicates Z: 91 88.664 2.476 0.707 0.797 0.967 0.856 CB 1.764 91 residues pruned to eliminate duplicates Z: 75 88.844 2.556 0.884 0.773 0.959 0.770 CB 1.756 75 residues pruned to eliminate duplicates Z: 90 100.359 2.482 0.890 0.810 0.978 0.764 CB 1.771 90 residues pruned to eliminate duplicates Z: 29 43.083 2.413 0.398 0.934 0.964 0.929 CB 1.745 29 residues pruned to eliminate duplicates Z: 54 57.295 2.325 0.659 0.803 0.981 0.792 CB 1.597 54 residues pruned to eliminate duplicates Z: 47 65.368 2.419 0.700 0.843 0.978 0.739 CB 1.783 47 residues pruned to eliminate duplicates Z: 90 93.586 2.497 0.775 0.810 0.955 0.787 CB 1.789 90 residues pruned to eliminate duplicates Z: 98 87.170 2.430 0.787 0.772 0.918 0.742 CB 1.746 98 residues pruned to eliminate duplicates Z: 49 64.868 2.364 0.848 0.807 0.958 0.729 CB 1.711 49 residues pruned to eliminate duplicates Z: 46 76.579 2.464 0.883 0.843 1.000 0.756 CB 1.832 46 residues pruned to eliminate duplicates Z: 91 91.446 2.465 0.812 0.801 0.944 0.744 CB 1.757 91 residues pruned to eliminate duplicates Z: 51 61.936 2.339 0.793 0.775 0.940 0.780 CB 1.743 51 residues pruned to eliminate duplicates Z: 55 68.270 2.312 0.957 0.769 0.981 0.630 CB 1.648 55 residues pruned to eliminate duplicates Z: 91 99.658 2.473 0.915 0.809 0.956 0.811 CB 1.773 91 residues pruned to eliminate duplicates Z: 110 97.838 2.444 0.838 0.763 0.963 0.697 CB 1.715 110 residues pruned to eliminate duplicates Z: 168 121.456 2.410 0.887 0.785 0.958 0.760 CB 1.678 168 residues pruned to eliminate duplicates Z: 30 65.357 2.335 1.092 0.949 1.000 0.690 CB 1.715 30 residues pruned to eliminate duplicates Z: 46 85.233 2.460 1.172 0.845 0.978 0.756 CB 1.809 46 residues pruned to eliminate duplicates Z: 92 99.545 2.453 0.991 0.803 0.956 0.758 CB 1.715 92 residues pruned to eliminate duplicates Z: 91 108.093 2.460 1.084 0.815 0.967 0.778 CB 1.748 91 residues pruned to eliminate duplicates Z: 29 69.064 2.413 1.085 0.960 0.964 0.750 CB 1.844 29 residues pruned to eliminate duplicates Z: 59 65.968 2.293 0.962 0.741 0.948 0.655 CB 1.636 59 residues pruned to eliminate duplicates Z: 112 96.708 2.374 0.848 0.793 0.955 0.757 CB 1.694 112 residues pruned to eliminate duplicates Z: 91 96.203 2.431 0.988 0.795 0.933 0.689 CB 1.736 91 residues pruned to eliminate duplicates Z: 102 94.020 2.429 0.893 0.754 0.950 0.703 CB 1.706 102 residues pruned to eliminate duplicates Z: 99 96.985 2.428 0.955 0.775 0.949 0.704 CB 1.706 99 residues pruned to eliminate duplicates Z: 125 105.841 2.455 0.859 0.765 0.960 0.758 CB 1.715 125 residues pruned to eliminate duplicates Z: 39 62.916 2.262 1.109 0.865 0.921 0.711 CB 1.701 39 residues pruned to eliminate duplicates Z: 76 72.915 2.400 0.737 0.767 0.947 0.747 CB 1.684 76 residues pruned to eliminate duplicates Z: 26 39.513 2.324 0.956 0.811 0.880 0.400 CB 1.508 26 residues pruned to eliminate duplicates Z: 48 71.408 2.522 1.162 0.769 0.915 0.596 CB 1.645 48 residues pruned to eliminate duplicates Z: 92 84.853 2.422 0.848 0.796 0.923 0.813 CB 1.662 92 residues pruned to eliminate duplicates Z: 94 82.723 2.415 0.809 0.792 0.925 0.731 CB 1.642 94 residues pruned to eliminate duplicates Z: 51 60.541 2.486 0.865 0.720 0.900 0.660 CB 1.681 51 residues pruned to eliminate duplicates Z: 50 60.357 2.490 0.916 0.727 0.878 0.694 CB 1.679 50 residues pruned to eliminate duplicates Z: 52 57.707 2.449 0.890 0.695 0.882 0.647 CB 1.656 52 residues pruned to eliminate duplicates Z: 73 66.323 2.383 0.706 0.754 0.944 0.708 CB 1.624 73 residues pruned to eliminate duplicates Z: 93 84.798 2.425 0.808 0.779 0.935 0.804 CB 1.686 93 residues pruned to eliminate duplicates Z: 50 61.219 2.506 0.884 0.740 0.918 0.653 CB 1.627 50 residues pruned to eliminate duplicates Z: 51 60.605 2.500 0.923 0.724 0.880 0.720 CB 1.656 51 residues pruned to eliminate duplicates Z: 51 58.179 2.449 0.885 0.713 0.880 0.720 CB 1.670 51 residues pruned to eliminate duplicates Z: 92 81.692 2.431 0.673 0.801 0.945 0.780 CB 1.713 92 residues pruned to eliminate duplicates Z: 89 81.817 2.459 0.736 0.782 0.943 0.784 CB 1.691 89 residues pruned to eliminate duplicates Z: 91 82.091 2.396 0.756 0.794 0.956 0.811 CB 1.663 91 residues pruned to eliminate duplicates Z: 93 82.333 2.411 0.817 0.780 0.913 0.717 CB 1.676 93 residues pruned to eliminate duplicates Z: 50 63.161 2.504 0.951 0.736 0.898 0.735 CB 1.664 50 residues pruned to eliminate duplicates Z: 51 59.955 2.491 0.786 0.722 0.920 0.760 CB 1.694 51 residues pruned to eliminate duplicates Z: 48 65.638 2.545 0.953 0.747 0.915 0.702 CB 1.688 48 residues pruned to eliminate duplicates Z: 102 82.287 2.383 0.753 0.745 0.941 0.733 CB 1.673 102 residues pruned to eliminate duplicates Z: 90 80.912 2.435 0.789 0.754 0.921 0.742 CB 1.705 90 residues pruned to eliminate duplicates Z: 95 83.110 2.413 0.769 0.777 0.936 0.798 CB 1.680 95 residues pruned to eliminate duplicates Z: 95 82.027 2.398 0.782 0.769 0.936 0.723 CB 1.667 95 residues pruned to eliminate duplicates Z: 49 69.016 2.540 0.972 0.754 0.958 0.750 CB 1.655 49 residues pruned to eliminate duplicates Z: 95 80.009 2.400 0.683 0.784 0.947 0.777 CB 1.680 95 residues pruned to eliminate duplicates Z: 65 73.771 2.409 0.981 0.732 0.922 0.719 CB 1.701 65 residues pruned to eliminate duplicates Z: 92 84.175 2.438 0.760 0.797 0.934 0.824 CB 1.698 92 residues pruned to eliminate duplicates Z: 94 84.299 2.424 0.823 0.783 0.925 0.785 CB 1.668 94 residues pruned to eliminate duplicates Z: 95 86.812 2.422 0.788 0.785 0.947 0.713 CB 1.701 95 residues pruned to eliminate duplicates Z: 96 78.983 2.382 0.699 0.777 0.937 0.768 CB 1.674 96 residues pruned to eliminate duplicates Z: 93 83.824 2.392 0.820 0.782 0.946 0.750 CB 1.656 93 residues pruned to eliminate duplicates Z: 94 87.303 2.432 0.798 0.787 0.968 0.796 CB 1.663 94 residues pruned to eliminate duplicates Z: 94 89.596 2.428 0.831 0.784 0.978 0.774 CB 1.665 94 residues pruned to eliminate duplicates Z: 61 75.219 2.477 0.970 0.780 0.950 0.733 CB 1.636 61 residues pruned to eliminate duplicates Z: 93 90.847 2.430 0.895 0.796 0.957 0.739 CB 1.660 93 residues pruned to eliminate duplicates Z: 14 42.076 2.226 1.123 0.940 1.000 0.769 CB 1.715 14 residues pruned to eliminate duplicates Z: 63 71.571 2.453 0.948 0.754 0.935 0.677 CB 1.622 63 residues pruned to eliminate duplicates Z: 47 50.569 2.281 0.536 0.822 0.978 0.870 CB 1.644 47 residues pruned to eliminate duplicates Z: 95 86.362 2.415 0.802 0.783 0.957 0.734 CB 1.667 95 residues pruned to eliminate duplicates Z: 44 56.100 2.327 0.607 0.859 0.977 0.884 CB 1.723 44 residues pruned to eliminate duplicates Z: 94 89.294 2.414 0.823 0.785 0.978 0.774 CB 1.674 94 residues pruned to eliminate duplicates Z: 96 87.339 2.394 0.845 0.774 0.958 0.768 CB 1.662 96 residues pruned to eliminate duplicates Z: 91 94.427 2.454 0.908 0.798 0.967 0.800 CB 1.695 91 residues pruned to eliminate duplicates Z: 94 89.321 2.432 0.867 0.785 0.946 0.763 CB 1.678 94 residues pruned to eliminate duplicates Z: 95 86.495 2.402 0.851 0.758 0.968 0.798 CB 1.647 95 residues pruned to eliminate duplicates Z: 96 88.055 2.429 0.842 0.789 0.947 0.811 CB 1.653 96 residues pruned to eliminate duplicates Z: 95 88.844 2.406 0.859 0.785 0.968 0.777 CB 1.647 95 residues pruned to eliminate duplicates Z: 37 44.052 2.191 0.606 0.789 0.972 0.833 CB 1.665 37 residues pruned to eliminate duplicates Z: 36 42.745 2.217 0.542 0.807 0.943 0.771 CB 1.716 36 residues pruned to eliminate duplicates Z: 94 92.778 2.421 0.918 0.790 0.968 0.753 CB 1.659 94 residues pruned to eliminate duplicates Z: 36 48.162 2.250 0.724 0.840 0.943 0.857 CB 1.661 36 residues pruned to eliminate duplicates Z: 47 60.557 2.282 0.912 0.800 0.935 0.717 CB 1.684 47 residues pruned to eliminate duplicates Z: 91 87.468 2.416 0.853 0.784 0.933 0.711 CB 1.718 91 residues pruned to eliminate duplicates Z: 96 91.610 2.392 0.973 0.786 0.958 0.737 CB 1.616 96 residues pruned to eliminate duplicates Z: 94 91.455 2.432 0.929 0.788 0.946 0.710 CB 1.659 94 residues pruned to eliminate duplicates Z: 93 98.487 2.427 1.032 0.800 0.967 0.685 CB 1.655 93 residues pruned to eliminate duplicates Z: 31 62.730 2.373 0.964 0.906 1.000 0.800 CB 1.747 31 residues pruned to eliminate duplicates Z: 93 99.589 2.431 1.036 0.774 0.978 0.793 CB 1.684 93 residues pruned to eliminate duplicates Z: 33 54.476 2.278 0.855 0.874 1.000 0.812 CB 1.658 33 residues pruned to eliminate duplicates Z: 97 91.887 2.376 1.026 0.768 0.938 0.667 CB 1.638 97 residues pruned to eliminate duplicates Z: 94 98.278 2.440 1.004 0.791 0.968 0.796 CB 1.667 94 residues pruned to eliminate duplicates Z: 94 99.340 2.431 1.037 0.781 0.968 0.677 CB 1.677 94 residues pruned to eliminate duplicates Z: 46 70.261 2.341 1.150 0.826 0.956 0.644 CB 1.642 46 residues pruned to eliminate duplicates Z: 68 86.470 2.413 1.107 0.802 0.970 0.731 CB 1.645 68 residues pruned to eliminate duplicates Z: 46 71.475 2.324 1.202 0.830 0.956 0.711 CB 1.638 46 residues pruned to eliminate duplicates Z: 99 94.875 2.397 1.077 0.780 0.939 0.684 CB 1.602 99 residues pruned to eliminate duplicates Z: 30 68.356 2.327 1.153 0.944 1.000 0.828 CB 1.755 30 residues pruned to eliminate duplicates Z: 94 99.922 2.417 1.110 0.792 0.957 0.720 CB 1.643 94 residues pruned to eliminate duplicates Z: 29 72.745 2.357 1.291 0.969 0.964 0.786 CB 1.797 30 residues pruned to eliminate duplicates Z: 30 74.432 2.351 1.290 0.944 1.000 0.724 CB 1.778 29 residues pruned to eliminate duplicates Z: 30 73.552 2.290 1.338 0.957 1.000 0.414 CB 1.751 30 residues pruned to eliminate duplicates Z: 49 71.504 2.283 1.217 0.797 0.958 0.729 CB 1.641 49 residues pruned to eliminate duplicates Z: 45 63.898 2.267 1.136 0.791 0.932 0.682 CB 1.653 45 residues pruned to eliminate duplicates Z: 93 103.392 2.431 1.197 0.795 0.935 0.630 CB 1.668 93 residues pruned to eliminate duplicates Z: 91 79.307 2.413 0.664 0.796 0.933 0.789 CB 1.721 91 residues pruned to eliminate duplicates Z: 50 54.797 2.516 0.643 0.729 0.898 0.755 CB 1.715 50 residues pruned to eliminate duplicates Z: 91 77.215 2.447 0.686 0.762 0.911 0.767 CB 1.716 91 residues pruned to eliminate duplicates Z: 93 77.172 2.417 0.629 0.795 0.946 0.815 CB 1.669 93 residues pruned to eliminate duplicates Z: 93 79.611 2.425 0.707 0.787 0.924 0.826 CB 1.686 93 residues pruned to eliminate duplicates Z: 92 76.446 2.392 0.674 0.771 0.934 0.791 CB 1.686 92 residues pruned to eliminate duplicates Z: 95 71.965 2.403 0.610 0.767 0.904 0.734 CB 1.674 95 residues pruned to eliminate duplicates Z: 15 26.783 2.379 0.763 0.642 0.929 0.571 CB 1.609 Z: 12 30.752 2.361 0.633 0.859 0.909 0.818 CB 1.947 12 residues pruned to eliminate duplicates 195 residues left after pruning, divided into chains as follows: A: 12 B: 168 C: 15 CC for partial structure against native data = 41.31 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.587, Connect. = 0.763 for dens.mod. cycle 1 = 0.300, Contrast = 0.669, Connect. = 0.792 for dens.mod. cycle 2 = 0.300, Contrast = 0.810, Connect. = 0.820 for dens.mod. cycle 3 = 0.300, Contrast = 0.826, Connect. = 0.823 for dens.mod. cycle 4 = 0.300, Contrast = 0.841, Connect. = 0.825 for dens.mod. cycle 5 = 0.300, Contrast = 0.849, Connect. = 0.827 for dens.mod. cycle 6 = 0.300, Contrast = 0.857, Connect. = 0.828 for dens.mod. cycle 7 = 0.300, Contrast = 0.861, Connect. = 0.829 for dens.mod. cycle 8 = 0.300, Contrast = 0.865, Connect. = 0.830 for dens.mod. cycle 9 = 0.300, Contrast = 0.867, Connect. = 0.830 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1160 peaks > 0.5 sigma used to seed fragment search Space for about 286 unique residues taking solvent into account 247 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 30 54.927 2.297 0.711 0.958 1.000 0.897 CB 1.779 B: 24 47.489 2.496 0.555 0.826 1.000 0.870 CB 1.924 C: 30 51.395 2.332 0.554 0.942 1.000 0.862 CB 1.826 D: 30 55.017 2.324 0.676 0.943 1.000 0.931 CB 1.817 30 residues pruned to eliminate duplicates E: 30 48.213 2.299 0.496 0.929 1.000 0.931 CB 1.822 30 residues pruned to eliminate duplicates F: 31 54.557 2.245 0.742 0.935 1.000 0.800 CB 1.774 31 residues pruned to eliminate duplicates G: 30 59.900 2.328 0.859 0.944 1.000 0.931 CB 1.779 30 residues pruned to eliminate duplicates H: 30 51.193 2.297 0.617 0.922 1.000 0.862 CB 1.801 30 residues pruned to eliminate duplicates I: 31 47.171 2.316 0.486 0.944 1.000 0.867 CB 1.733 31 residues pruned to eliminate duplicates J: 18 43.906 2.480 0.989 0.893 0.941 0.824 CB 1.646 K: 17 46.487 2.596 1.079 0.906 0.938 0.750 CB 1.633 L: 31 62.478 2.324 0.902 0.937 1.000 0.800 CB 1.797 31 residues pruned to eliminate duplicates M: 30 52.079 2.377 0.612 0.951 0.966 0.862 CB 1.801 30 residues pruned to eliminate duplicates N: 30 46.966 2.313 0.577 0.927 0.966 0.931 CB 1.736 30 residues pruned to eliminate duplicates O: 24 43.362 2.486 0.489 0.849 0.957 0.826 CB 1.893 24 residues pruned to eliminate duplicates P: 24 43.229 2.377 0.527 0.877 0.957 0.739 CB 1.885 24 residues pruned to eliminate duplicates Q: 28 57.621 2.375 0.739 0.952 1.000 0.963 CB 1.849 28 residues pruned to eliminate duplicates R: 29 53.926 2.350 0.603 0.946 1.000 1.000 CB 1.871 29 residues pruned to eliminate duplicates S: 30 55.865 2.307 0.702 0.946 1.000 0.931 CB 1.827 30 residues pruned to eliminate duplicates T: 30 53.913 2.309 0.679 0.939 1.000 0.897 CB 1.794 30 residues pruned to eliminate duplicates U: 24 41.565 2.382 0.562 0.895 1.000 0.826 CB 1.670 24 residues pruned to eliminate duplicates V: 17 35.323 2.579 0.572 0.896 0.938 0.938 CB 1.664 17 residues pruned to eliminate duplicates W: 30 46.556 2.317 0.482 0.950 0.966 0.862 CB 1.797 30 residues pruned to eliminate duplicates X: 23 46.526 2.483 0.653 0.872 0.955 0.727 CB 1.845 23 residues pruned to eliminate duplicates Y: 29 63.460 2.359 0.961 0.957 1.000 0.786 CB 1.779 30 residues pruned to eliminate duplicates Z: 31 41.980 2.313 0.345 0.941 0.967 0.867 CB 1.769 31 residues pruned to eliminate duplicates Z: 18 34.934 2.541 0.473 0.862 1.000 0.765 CB 1.662 18 residues pruned to eliminate duplicates Z: 29 47.612 2.341 0.501 0.956 0.964 0.929 CB 1.823 29 residues pruned to eliminate duplicates Z: 31 46.554 2.288 0.509 0.939 1.000 0.867 CB 1.710 31 residues pruned to eliminate duplicates Z: 31 45.262 2.296 0.447 0.945 1.000 0.967 CB 1.722 31 residues pruned to eliminate duplicates Z: 30 60.669 2.338 0.831 0.950 1.000 0.862 CB 1.814 30 residues pruned to eliminate duplicates Z: 19 40.847 2.411 0.761 0.896 1.000 0.944 CB 1.625 18 residues pruned to eliminate duplicates Z: 18 42.352 2.580 0.663 0.910 1.000 0.765 CB 1.698 18 residues pruned to eliminate duplicates Z: 28 63.913 2.411 0.875 0.961 1.000 0.889 CB 1.863 28 residues pruned to eliminate duplicates Z: 30 48.216 2.308 0.516 0.953 1.000 0.931 CB 1.761 30 residues pruned to eliminate duplicates Z: 23 35.017 2.463 0.552 0.884 0.864 0.818 CB 1.635 Z: 29 63.789 2.371 0.918 0.960 1.000 0.929 CB 1.815 29 residues pruned to eliminate duplicates Z: 30 55.318 2.316 0.823 0.920 0.966 0.793 CB 1.775 30 residues pruned to eliminate duplicates Z: 19 38.493 2.427 0.681 0.870 1.000 0.778 CB 1.624 20 residues pruned to eliminate duplicates Z: 31 35.897 2.252 0.187 0.943 1.000 0.900 CB 1.699 31 residues pruned to eliminate duplicates Z: 25 35.559 2.394 0.558 0.856 0.833 0.667 CB 1.722 23 residues pruned to eliminate duplicates Z: 15 37.769 2.281 0.803 0.914 1.000 0.714 CB 1.736 Z: 18 43.384 2.569 0.949 0.880 0.941 0.882 CB 1.618 18 residues pruned to eliminate duplicates Z: 30 54.136 2.325 0.675 0.946 1.000 0.931 CB 1.786 29 residues pruned to eliminate duplicates Z: 30 53.783 2.302 0.641 0.928 1.000 0.793 CB 1.852 30 residues pruned to eliminate duplicates Z: 17 42.952 2.602 0.929 0.893 0.938 0.812 CB 1.638 17 residues pruned to eliminate duplicates Z: 24 40.966 2.471 0.371 0.852 0.957 0.870 CB 1.949 24 residues pruned to eliminate duplicates Z: 24 41.271 2.388 0.522 0.897 0.957 0.739 CB 1.771 25 residues pruned to eliminate duplicates Z: 15 41.054 2.278 0.955 0.926 1.000 0.857 CB 1.728 15 residues pruned to eliminate duplicates Z: 24 35.816 2.386 0.436 0.890 0.913 0.870 CB 1.718 24 residues pruned to eliminate duplicates Z: 24 39.641 2.398 0.492 0.920 0.913 0.783 CB 1.783 24 residues pruned to eliminate duplicates Z: 15 39.468 2.282 0.773 0.940 1.000 1.000 CB 1.811 15 residues pruned to eliminate duplicates Z: 25 36.416 2.259 0.489 0.878 0.958 0.792 CB 1.673 25 residues pruned to eliminate duplicates Z: 30 62.597 2.354 0.916 0.952 1.000 0.897 CB 1.774 30 residues pruned to eliminate duplicates Z: 25 45.876 2.453 0.656 0.819 0.917 0.750 CB 1.907 25 residues pruned to eliminate duplicates Z: 25 32.754 2.346 0.487 0.863 0.875 0.667 CB 1.606 25 residues pruned to eliminate duplicates Z: 18 43.363 2.477 0.826 0.897 1.000 0.882 CB 1.664 17 residues pruned to eliminate duplicates Z: 17 29.980 2.573 0.306 0.912 1.000 0.938 CB 1.579 17 residues pruned to eliminate duplicates Z: 21 42.937 2.396 0.723 0.917 1.000 0.900 CB 1.641 22 residues pruned to eliminate duplicates Z: 30 57.245 2.343 0.787 0.934 0.966 0.759 CB 1.835 30 residues pruned to eliminate duplicates Z: 17 47.101 2.625 0.942 0.898 1.000 0.938 CB 1.653 17 residues pruned to eliminate duplicates Z: 20 32.988 2.306 0.522 0.871 0.947 0.737 CB 1.660 20 residues pruned to eliminate duplicates Z: 28 60.067 2.390 0.942 0.955 0.926 0.852 CB 1.849 28 residues pruned to eliminate duplicates Z: 6 8.070 1.884 0.572 0.776 0.800 0.800 CA 1.194 Z: 15 40.349 2.298 1.102 0.853 1.000 0.714 CB 1.650 16 residues pruned to eliminate duplicates Z: 29 55.029 2.329 0.759 0.933 1.000 0.964 CB 1.772 29 residues pruned to eliminate duplicates Z: 22 43.215 2.542 0.412 0.879 1.000 0.810 CB 1.906 22 residues pruned to eliminate duplicates Z: 24 38.376 2.368 0.558 0.903 0.913 0.696 CB 1.692 24 residues pruned to eliminate duplicates Z: 23 42.360 2.521 0.408 0.877 0.955 0.818 CB 1.936 23 residues pruned to eliminate duplicates Z: 30 56.631 2.334 0.725 0.953 1.000 0.931 CB 1.798 30 residues pruned to eliminate duplicates Z: 29 61.279 2.350 0.869 0.960 1.000 0.929 CB 1.807 29 residues pruned to eliminate duplicates Z: 17 42.326 2.615 0.737 0.919 1.000 0.938 CB 1.642 17 residues pruned to eliminate duplicates Z: 30 62.928 2.358 0.941 0.949 0.966 0.931 CB 1.825 30 residues pruned to eliminate duplicates Z: 23 36.247 2.426 0.320 0.888 0.955 0.864 CB 1.822 23 residues pruned to eliminate duplicates Z: 24 43.542 2.423 0.470 0.856 0.957 0.696 CB 1.965 24 residues pruned to eliminate duplicates Z: 14 44.248 2.346 1.241 0.913 1.000 0.769 CB 1.652 14 residues pruned to eliminate duplicates Z: 6 8.081 1.847 0.221 0.788 1.000 0.800 C 1.245 6 residues pruned to eliminate duplicates Z: 25 39.685 2.407 0.484 0.896 0.917 0.708 CB 1.772 25 residues pruned to eliminate duplicates Z: 21 37.259 2.475 0.607 0.909 0.850 0.850 CB 1.749 21 residues pruned to eliminate duplicates Z: 15 38.111 2.268 0.898 0.908 0.929 0.714 CB 1.810 15 residues pruned to eliminate duplicates Z: 24 42.156 2.486 0.459 0.834 0.957 0.783 CB 1.900 24 residues pruned to eliminate duplicates Z: 23 46.038 2.423 0.793 0.894 0.909 0.727 CB 1.783 23 residues pruned to eliminate duplicates Z: 18 56.508 2.471 1.216 0.906 1.000 0.765 CB 1.780 18 residues pruned to eliminate duplicates Z: 15 34.451 2.123 0.786 0.913 1.000 0.857 CB 1.718 Z: 18 42.724 2.541 0.886 0.887 0.941 0.706 CB 1.656 18 residues pruned to eliminate duplicates Z: 14 34.670 2.165 0.918 0.927 1.000 0.923 CB 1.623 14 residues pruned to eliminate duplicates Z: 30 64.238 2.324 0.927 0.942 1.000 0.828 CB 1.847 30 residues pruned to eliminate duplicates Z: 17 51.344 2.618 1.148 0.896 1.000 0.750 CB 1.635 17 residues pruned to eliminate duplicates Z: 22 37.268 2.422 0.450 0.933 0.905 0.667 CB 1.786 22 residues pruned to eliminate duplicates Z: 24 43.762 2.348 0.578 0.874 0.957 0.783 CB 1.874 24 residues pruned to eliminate duplicates Z: 18 49.642 2.569 1.045 0.905 1.000 0.824 CB 1.631 18 residues pruned to eliminate duplicates Z: 17 47.479 2.613 0.971 0.900 1.000 0.875 CB 1.647 17 residues pruned to eliminate duplicates Z: 13 36.770 2.235 0.896 0.932 1.000 0.750 CB 1.749 13 residues pruned to eliminate duplicates Z: 19 44.314 2.418 1.117 0.875 0.889 0.833 CB 1.670 18 residues pruned to eliminate duplicates Z: 24 51.495 2.402 0.938 0.905 0.957 0.739 CB 1.716 23 residues pruned to eliminate duplicates Z: 30 67.055 2.373 0.964 0.960 1.000 0.897 CB 1.830 30 residues pruned to eliminate duplicates Z: 23 45.301 2.431 0.624 0.907 0.955 0.727 CB 1.821 23 residues pruned to eliminate duplicates Z: 29 66.509 2.371 0.967 0.958 1.000 0.893 CB 1.849 29 residues pruned to eliminate duplicates Z: 13 53.404 2.496 1.283 0.943 1.000 0.750 CB 1.875 13 residues pruned to eliminate duplicates Z: 23 49.663 2.472 0.714 0.947 0.955 0.818 CB 1.809 23 residues pruned to eliminate duplicates Z: 25 40.027 2.351 0.612 0.902 0.917 0.708 CB 1.678 25 residues pruned to eliminate duplicates Z: 18 47.660 2.437 1.159 0.898 1.000 0.765 CB 1.571 18 residues pruned to eliminate duplicates Z: 15 32.086 2.097 0.737 0.939 1.000 1.000 CB 1.636 15 residues pruned to eliminate duplicates Z: 23 42.184 2.489 0.496 0.891 0.955 0.773 CB 1.818 23 residues pruned to eliminate duplicates Z: 20 32.294 2.362 0.601 0.843 0.947 0.895 CB 1.540 20 residues pruned to eliminate duplicates Z: 23 42.446 2.496 0.436 0.887 0.955 0.864 CB 1.908 23 residues pruned to eliminate duplicates Z: 17 32.792 2.574 0.618 0.865 0.938 0.812 CB 1.538 17 residues pruned to eliminate duplicates Z: 6 7.007 1.774 0.074 0.824 1.000 0.800 CA 1.242 Z: 21 53.551 2.458 1.041 0.940 0.950 0.650 CB 1.745 21 residues pruned to eliminate duplicates Z: 29 44.390 2.317 0.359 0.953 1.000 0.964 CB 1.834 29 residues pruned to eliminate duplicates Z: 24 33.225 2.244 0.512 0.856 0.913 0.783 CB 1.650 24 residues pruned to eliminate duplicates Z: 14 27.810 2.276 0.674 0.881 0.923 0.846 CB 1.589 14 residues pruned to eliminate duplicates Z: 13 38.277 2.310 1.147 0.921 1.000 0.750 CB 1.569 14 residues pruned to eliminate duplicates Z: 15 27.957 2.270 0.348 0.936 1.000 0.929 CB 1.701 14 residues pruned to eliminate duplicates Z: 25 39.244 2.335 0.600 0.892 0.958 0.792 CB 1.607 25 residues pruned to eliminate duplicates Z: 26 63.233 2.477 0.809 0.953 1.000 0.960 CB 1.942 26 residues pruned to eliminate duplicates Z: 24 42.804 2.395 0.506 0.871 1.000 0.783 CB 1.806 24 residues pruned to eliminate duplicates Z: 23 52.426 2.432 0.925 0.936 0.955 0.682 CB 1.742 23 residues pruned to eliminate duplicates Z: 17 31.650 2.608 0.455 0.880 0.938 0.875 CB 1.612 17 residues pruned to eliminate duplicates Z: 18 55.719 2.541 1.325 0.883 1.000 0.941 CB 1.654 19 residues pruned to eliminate duplicates Z: 30 56.177 2.328 0.765 0.950 1.000 0.759 CB 1.751 30 residues pruned to eliminate duplicates Z: 22 32.930 2.281 1.097 0.613 0.905 0.524 CB 1.492 22 residues pruned to eliminate duplicates Z: 25 45.572 2.376 0.710 0.909 0.917 0.708 CB 1.773 25 residues pruned to eliminate duplicates Z: 30 56.166 2.342 0.779 0.933 0.966 0.828 CB 1.809 30 residues pruned to eliminate duplicates Z: 22 46.343 2.479 0.654 0.933 0.952 0.667 CB 1.807 22 residues pruned to eliminate duplicates Z: 23 38.221 2.448 0.340 0.884 0.955 0.773 CB 1.880 23 residues pruned to eliminate duplicates Z: 24 41.714 2.294 0.653 0.899 0.957 0.870 CB 1.714 24 residues pruned to eliminate duplicates Z: 28 68.692 2.368 1.117 0.956 1.000 0.778 CB 1.810 30 residues pruned to eliminate duplicates Z: 29 48.898 2.459 0.650 0.757 0.964 0.821 CB 1.879 30 residues pruned to eliminate duplicates Z: 13 33.487 2.302 0.809 0.914 1.000 0.833 CB 1.642 13 residues pruned to eliminate duplicates Z: 16 36.594 1.979 1.236 0.920 1.000 0.933 CB 1.503 15 residues pruned to eliminate duplicates Z: 15 36.829 2.125 1.148 0.870 1.000 0.857 CB 1.575 16 residues pruned to eliminate duplicates Z: 30 51.602 2.303 0.629 0.915 1.000 0.828 CB 1.806 30 residues pruned to eliminate duplicates Z: 24 47.692 2.491 0.604 0.847 0.957 0.826 CB 1.932 24 residues pruned to eliminate duplicates Z: 30 72.675 2.343 1.227 0.940 1.000 0.724 CB 1.796 28 residues pruned to eliminate duplicates Z: 15 33.714 2.089 0.720 0.935 1.000 1.000 CA 1.747 15 residues pruned to eliminate duplicates Z: 29 59.521 2.321 0.925 0.943 1.000 0.857 CB 1.744 29 residues pruned to eliminate duplicates Z: 13 32.514 2.263 0.852 0.933 1.000 0.917 CB 1.563 13 residues pruned to eliminate duplicates Z: 31 58.121 2.325 0.814 0.949 1.000 0.767 CB 1.737 31 residues pruned to eliminate duplicates Z: 30 64.357 2.362 0.915 0.961 1.000 1.000 CB 1.810 30 residues pruned to eliminate duplicates Z: 22 53.519 2.462 1.093 0.925 0.905 0.667 CB 1.758 22 residues pruned to eliminate duplicates Z: 22 38.017 2.382 0.477 0.900 0.952 0.524 CB 1.769 22 residues pruned to eliminate duplicates Z: 18 39.458 2.493 0.699 0.907 1.000 0.765 CB 1.606 18 residues pruned to eliminate duplicates Z: 29 47.213 2.359 0.481 0.935 0.964 0.786 CB 1.845 29 residues pruned to eliminate duplicates Z: 23 48.615 2.483 0.878 0.908 0.909 0.773 CB 1.737 23 residues pruned to eliminate duplicates Z: 30 43.687 2.309 0.331 0.946 1.000 0.966 CB 1.825 30 residues pruned to eliminate duplicates Z: 21 54.174 2.458 1.071 0.916 0.950 0.700 CB 1.769 21 residues pruned to eliminate duplicates Z: 28 42.506 2.336 0.398 0.939 0.963 0.926 CB 1.808 28 residues pruned to eliminate duplicates Z: 14 34.436 2.291 0.838 0.894 1.000 0.923 CB 1.627 14 residues pruned to eliminate duplicates Z: 30 60.998 2.309 0.902 0.939 1.000 0.759 CB 1.792 30 residues pruned to eliminate duplicates Z: 47 48.050 2.441 0.772 0.709 0.870 0.652 CB 1.558 50 residues pruned to eliminate duplicates Z: 29 50.549 2.345 0.618 0.936 0.964 0.750 CB 1.818 29 residues pruned to eliminate duplicates Z: 17 37.211 2.601 0.548 0.891 1.000 0.875 CB 1.660 17 residues pruned to eliminate duplicates Z: 29 70.254 2.352 1.120 0.933 1.000 0.750 CB 1.858 29 residues pruned to eliminate duplicates Z: 19 46.940 2.450 0.915 0.907 1.000 0.833 CB 1.676 19 residues pruned to eliminate duplicates Z: 16 33.806 2.511 0.487 0.949 1.000 1.000 CB 1.614 16 residues pruned to eliminate duplicates Z: 14 37.373 2.159 1.158 0.942 1.000 0.846 CB 1.543 14 residues pruned to eliminate duplicates Z: 22 39.747 2.472 0.378 0.912 1.000 0.762 CB 1.803 22 residues pruned to eliminate duplicates Z: 19 43.091 2.612 0.405 0.891 0.944 0.889 CB 2.107 19 residues pruned to eliminate duplicates Z: 47 56.308 2.319 0.618 0.829 0.957 0.761 CB 1.741 46 residues pruned to eliminate duplicates Z: 21 58.641 2.489 1.143 0.948 0.950 0.800 CB 1.786 21 residues pruned to eliminate duplicates Z: 13 41.404 2.289 1.151 0.943 1.000 0.833 CB 1.682 13 residues pruned to eliminate duplicates Z: 13 30.968 2.295 0.605 0.912 1.000 0.750 CB 1.719 13 residues pruned to eliminate duplicates Z: 30 57.688 2.302 0.873 0.930 1.000 0.862 CB 1.737 30 residues pruned to eliminate duplicates Z: 22 33.341 2.413 0.282 0.914 1.000 0.810 CB 1.664 22 residues pruned to eliminate duplicates Z: 14 27.582 2.162 0.543 0.920 1.000 0.923 CB 1.616 14 residues pruned to eliminate duplicates Z: 23 43.775 2.424 0.562 0.866 0.955 0.636 CB 1.890 23 residues pruned to eliminate duplicates Z: 30 61.303 2.332 0.895 0.957 1.000 0.724 CB 1.768 30 residues pruned to eliminate duplicates Z: 32 29.463 2.126 0.661 0.641 0.871 0.613 CB 1.508 32 residues pruned to eliminate duplicates Z: 30 55.528 2.290 0.903 0.914 0.966 0.690 CB 1.732 30 residues pruned to eliminate duplicates Z: 6 8.580 1.784 0.414 0.849 1.000 0.800 CB 1.128 Z: 23 40.352 2.440 0.455 0.868 0.955 0.864 CB 1.856 23 residues pruned to eliminate duplicates Z: 6 8.369 1.989 0.822 0.620 0.800 0.600 CB 1.153 6 residues pruned to eliminate duplicates Z: 14 26.848 2.115 0.473 0.928 1.000 1.000 CB 1.674 14 residues pruned to eliminate duplicates Z: 29 47.956 2.343 0.495 0.957 1.000 0.964 CB 1.776 29 residues pruned to eliminate duplicates Z: 14 32.462 2.212 0.611 0.933 1.000 0.923 CB 1.763 14 residues pruned to eliminate duplicates Z: 13 9.647 1.718 0.358 0.578 1.000 0.833 CB 1.107 8 residues pruned to eliminate duplicates Z: 6 8.111 1.830 0.669 0.654 0.800 0.600 CA 1.287 6 residues pruned to eliminate duplicates Z: 13 25.003 2.213 0.434 0.912 1.000 0.833 CB 1.611 13 residues pruned to eliminate duplicates Z: 87 75.339 2.444 0.557 0.791 0.953 0.814 CB 1.734 93 residues pruned to eliminate duplicates Z: 16 30.521 2.064 0.659 0.895 1.000 0.933 CB 1.649 16 residues pruned to eliminate duplicates Z: 21 45.298 2.435 1.293 0.616 0.900 0.600 CB 1.807 21 residues pruned to eliminate duplicates Z: 24 57.142 2.400 0.941 0.930 1.000 0.565 CB 1.789 24 residues pruned to eliminate duplicates Z: 30 63.023 2.316 0.981 0.922 0.966 0.690 CB 1.858 30 residues pruned to eliminate duplicates Z: 30 59.449 2.273 1.121 0.916 0.966 0.586 CB 1.675 30 residues pruned to eliminate duplicates Z: 30 66.773 2.290 1.112 0.925 1.000 0.655 CB 1.799 30 residues pruned to eliminate duplicates Z: 16 27.779 2.513 0.259 0.941 1.000 1.000 CB 1.574 16 residues pruned to eliminate duplicates Z: 10 15.326 2.520 0.483 0.467 0.889 0.556 CB 1.591 10 residues pruned to eliminate duplicates Z: 6 6.728 1.736 0.305 0.824 1.000 0.800 CB 1.003 6 residues pruned to eliminate duplicates Z: 8 8.975 1.772 0.292 0.864 1.000 0.714 CB 1.086 7 residues pruned to eliminate duplicates Z: 18 39.298 2.502 0.753 0.916 1.000 0.765 CB 1.535 18 residues pruned to eliminate duplicates Z: 30 67.659 2.272 1.101 0.918 1.000 0.793 CB 1.857 30 residues pruned to eliminate duplicates Z: 24 37.182 2.355 0.741 0.871 0.870 0.609 CB 1.585 24 residues pruned to eliminate duplicates Z: 9 27.016 2.133 1.091 0.852 1.000 0.500 CB 1.584 9 residues pruned to eliminate duplicates Z: 33 41.837 2.249 0.366 0.874 1.000 0.875 CB 1.752 33 residues pruned to eliminate duplicates Z: 18 33.530 2.277 0.527 0.852 1.000 0.824 CB 1.730 18 residues pruned to eliminate duplicates Z: 18 35.228 2.364 0.763 0.904 1.000 0.588 CB 1.460 18 residues pruned to eliminate duplicates Z: 9 16.035 2.060 0.616 0.721 1.000 0.875 CB 1.395 9 residues pruned to eliminate duplicates Z: 32 45.092 2.442 0.759 0.722 0.935 0.677 CB 1.649 32 residues pruned to eliminate duplicates Z: 26 65.073 2.407 1.296 0.792 0.960 0.720 CB 1.899 22 residues pruned to eliminate duplicates Z: 63 73.970 2.529 0.780 0.755 0.952 0.742 CB 1.747 63 residues pruned to eliminate duplicates Z: 13 39.987 2.234 1.330 0.944 1.000 0.500 CB 1.536 13 residues pruned to eliminate duplicates Z: 65 67.003 2.382 0.733 0.810 0.922 0.812 CB 1.680 66 residues pruned to eliminate duplicates Z: 9 10.450 1.754 0.519 0.875 1.000 0.375 CB 1.009 9 residues pruned to eliminate duplicates Z: 17 21.874 1.970 0.377 0.863 1.000 0.875 CB 1.480 17 residues pruned to eliminate duplicates Z: 37 54.316 2.502 0.565 0.755 0.972 0.889 CB 1.895 37 residues pruned to eliminate duplicates Z: 21 34.324 2.466 0.299 0.861 0.950 0.800 CB 1.853 21 residues pruned to eliminate duplicates Z: 37 60.140 2.593 0.621 0.755 0.972 0.861 CB 1.955 37 residues pruned to eliminate duplicates Z: 30 70.839 2.322 1.315 0.930 0.966 0.793 CB 1.773 30 residues pruned to eliminate duplicates Z: 68 71.561 2.478 0.677 0.765 0.955 0.746 CB 1.742 68 residues pruned to eliminate duplicates Z: 12 20.059 2.348 0.438 0.854 0.909 0.818 CB 1.454 12 residues pruned to eliminate duplicates Z: 32 43.731 2.177 1.178 0.657 0.903 0.645 CB 1.585 32 residues pruned to eliminate duplicates Z: 20 35.659 2.381 0.779 0.852 0.947 0.789 CB 1.508 20 residues pruned to eliminate duplicates Z: 22 53.006 2.427 1.035 0.949 0.952 0.810 CB 1.697 22 residues pruned to eliminate duplicates Z: 29 42.524 2.234 0.526 0.917 1.000 0.821 CB 1.665 29 residues pruned to eliminate duplicates Z: 14 32.177 2.228 0.686 0.911 1.000 0.923 CB 1.684 14 residues pruned to eliminate duplicates Z: 19 46.286 2.443 0.985 0.886 1.000 0.833 CB 1.623 19 residues pruned to eliminate duplicates Z: 18 31.768 2.475 0.748 0.662 0.882 0.765 CB 1.737 18 residues pruned to eliminate duplicates Z: 42 71.615 2.572 0.787 0.785 1.000 0.805 CB 1.894 42 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 13 10.237 1.692 0.384 0.705 1.000 0.833 CB 1.048 13 residues pruned to eliminate duplicates Z: 106 77.607 2.338 0.603 0.756 0.962 0.810 CB 1.672 103 residues pruned to eliminate duplicates Z: 8 8.567 1.778 0.293 0.851 1.000 0.714 CB 1.042 8 residues pruned to eliminate duplicates Z: 7 7.740 1.832 0.179 0.820 1.000 0.833 CB 1.109 7 residues pruned to eliminate duplicates Z: 11 14.113 1.909 0.550 0.675 1.000 0.600 CB 1.283 11 residues pruned to eliminate duplicates Z: 9 8.726 1.734 0.230 0.867 1.000 0.625 CB 1.058 9 residues pruned to eliminate duplicates Z: 12 11.334 1.737 0.497 0.699 1.000 0.818 CB 1.097 11 residues pruned to eliminate duplicates Z: 9 9.852 1.744 0.426 0.898 1.000 0.750 CB 1.002 9 residues pruned to eliminate duplicates Z: 11 15.046 1.921 0.631 0.662 1.000 0.700 CB 1.307 12 residues pruned to eliminate duplicates Z: 24 42.857 2.389 0.454 0.875 1.000 0.783 CB 1.871 24 residues pruned to eliminate duplicates Z: 92 77.499 2.418 0.633 0.793 0.934 0.802 CB 1.704 92 residues pruned to eliminate duplicates Z: 46 59.781 2.519 0.664 0.751 0.956 0.778 CB 1.779 46 residues pruned to eliminate duplicates Z: 90 81.347 2.466 0.582 0.799 0.966 0.820 CB 1.761 90 residues pruned to eliminate duplicates Z: 46 60.018 2.541 0.678 0.757 0.933 0.844 CB 1.787 46 residues pruned to eliminate duplicates Z: 99 81.695 2.421 0.653 0.774 0.939 0.755 CB 1.724 113 residues pruned to eliminate duplicates Z: 23 42.085 2.502 0.422 0.889 0.955 0.818 CB 1.901 23 residues pruned to eliminate duplicates Z: 89 83.105 2.429 0.730 0.755 0.977 0.727 CB 1.719 89 residues pruned to eliminate duplicates Z: 168 111.127 2.425 0.679 0.786 0.952 0.778 CB 1.726 168 residues pruned to eliminate duplicates Z: 23 44.755 2.413 0.553 0.898 1.000 0.909 CB 1.822 23 residues pruned to eliminate duplicates Z: 90 84.716 2.482 0.610 0.808 0.966 0.831 CB 1.778 90 residues pruned to eliminate duplicates Z: 75 85.438 2.580 0.699 0.787 0.973 0.784 CB 1.809 75 residues pruned to eliminate duplicates Z: 46 60.882 2.518 0.656 0.769 0.956 0.756 CB 1.795 46 residues pruned to eliminate duplicates Z: 45 69.761 2.561 0.870 0.786 0.955 0.795 CB 1.789 45 residues pruned to eliminate duplicates Z: 24 45.287 2.425 0.488 0.901 0.957 0.870 CB 1.953 24 residues pruned to eliminate duplicates Z: 94 85.457 2.437 0.680 0.788 0.968 0.763 CB 1.736 94 residues pruned to eliminate duplicates Z: 48 58.610 2.473 0.732 0.749 0.936 0.745 CB 1.706 48 residues pruned to eliminate duplicates Z: 24 39.786 2.383 0.637 0.813 0.913 0.696 CB 1.774 24 residues pruned to eliminate duplicates Z: 95 83.273 2.412 0.712 0.771 0.947 0.745 CB 1.729 95 residues pruned to eliminate duplicates Z: 90 83.841 2.480 0.629 0.802 0.955 0.843 CB 1.769 90 residues pruned to eliminate duplicates Z: 98 84.143 2.438 0.620 0.795 0.959 0.773 CB 1.743 98 residues pruned to eliminate duplicates Z: 46 60.741 2.550 0.646 0.768 0.956 0.778 CB 1.780 46 residues pruned to eliminate duplicates Z: 48 62.195 2.485 0.818 0.732 0.936 0.745 CB 1.741 48 residues pruned to eliminate duplicates Z: 90 86.548 2.495 0.649 0.797 0.944 0.787 CB 1.822 90 residues pruned to eliminate duplicates Z: 21 41.074 2.512 0.703 0.784 0.950 0.700 CB 1.760 21 residues pruned to eliminate duplicates Z: 66 74.832 2.536 0.731 0.747 0.969 0.785 CB 1.750 66 residues pruned to eliminate duplicates Z: 76 77.451 2.557 0.646 0.775 0.947 0.800 CB 1.760 76 residues pruned to eliminate duplicates Z: 91 88.206 2.468 0.697 0.796 0.967 0.756 CB 1.772 91 residues pruned to eliminate duplicates Z: 89 85.193 2.505 0.609 0.804 0.966 0.807 CB 1.788 89 residues pruned to eliminate duplicates Z: 47 66.547 2.528 0.808 0.771 0.957 0.761 CB 1.766 47 residues pruned to eliminate duplicates Z: 18 54.889 2.566 1.242 0.902 1.000 0.882 CB 1.651 18 residues pruned to eliminate duplicates Z: 46 69.225 2.540 0.851 0.774 0.956 0.756 CB 1.803 46 residues pruned to eliminate duplicates Z: 46 65.885 2.513 0.767 0.773 0.978 0.867 CB 1.776 46 residues pruned to eliminate duplicates Z: 19 41.813 2.509 0.971 0.867 0.889 0.778 CB 1.640 19 residues pruned to eliminate duplicates Z: 46 62.251 2.543 0.727 0.767 0.933 0.822 CB 1.787 46 residues pruned to eliminate duplicates Z: 66 83.495 2.539 0.906 0.744 0.969 0.708 CB 1.775 66 residues pruned to eliminate duplicates Z: 19 48.568 2.482 1.029 0.901 1.000 0.944 CB 1.623 19 residues pruned to eliminate duplicates Z: 90 87.636 2.491 0.684 0.808 0.944 0.820 CB 1.793 90 residues pruned to eliminate duplicates Z: 91 86.585 2.472 0.615 0.812 0.978 0.767 CB 1.783 91 residues pruned to eliminate duplicates Z: 47 61.116 2.485 0.746 0.754 0.935 0.783 CB 1.771 47 residues pruned to eliminate duplicates Z: 19 41.421 2.380 1.146 0.878 0.944 0.778 CB 1.469 19 residues pruned to eliminate duplicates Z: 90 89.618 2.491 0.686 0.810 0.966 0.831 CB 1.787 90 residues pruned to eliminate duplicates Z: 69 73.926 2.470 0.676 0.777 0.956 0.779 CB 1.773 69 residues pruned to eliminate duplicates Z: 167 108.474 2.423 0.670 0.781 0.946 0.789 CB 1.718 167 residues pruned to eliminate duplicates Z: 48 52.168 2.373 0.511 0.797 0.957 0.809 CB 1.709 48 residues pruned to eliminate duplicates Z: 98 82.710 2.420 0.630 0.795 0.959 0.845 CB 1.715 98 residues pruned to eliminate duplicates Z: 49 53.169 2.373 0.552 0.784 0.938 0.688 CB 1.730 49 residues pruned to eliminate duplicates Z: 124 90.218 2.362 0.668 0.790 0.959 0.732 CB 1.670 124 residues pruned to eliminate duplicates Z: 47 60.228 2.360 0.637 0.844 1.000 0.761 CB 1.710 47 residues pruned to eliminate duplicates Z: 91 85.081 2.473 0.636 0.797 0.967 0.789 CB 1.768 91 residues pruned to eliminate duplicates Z: 46 60.910 2.415 0.653 0.832 0.956 0.778 CB 1.787 46 residues pruned to eliminate duplicates Z: 46 60.894 2.445 0.673 0.816 0.933 0.778 CB 1.806 46 residues pruned to eliminate duplicates Z: 91 89.578 2.451 0.721 0.797 0.978 0.767 CB 1.766 91 residues pruned to eliminate duplicates Z: 90 93.938 2.501 0.718 0.804 0.978 0.787 CB 1.819 90 residues pruned to eliminate duplicates Z: 91 91.497 2.463 0.764 0.805 0.967 0.789 CB 1.761 91 residues pruned to eliminate duplicates Z: 48 64.629 2.375 0.750 0.821 0.979 0.766 CB 1.755 48 residues pruned to eliminate duplicates Z: 48 59.715 2.370 0.637 0.815 0.957 0.766 CB 1.783 48 residues pruned to eliminate duplicates Z: 46 66.880 2.453 0.712 0.843 0.956 0.756 CB 1.850 46 residues pruned to eliminate duplicates Z: 89 92.620 2.519 0.696 0.810 0.966 0.795 CB 1.826 89 residues pruned to eliminate duplicates Z: 49 61.345 2.358 0.678 0.809 0.979 0.729 CB 1.746 49 residues pruned to eliminate duplicates Z: 90 96.425 2.498 0.755 0.815 0.989 0.787 CB 1.793 90 residues pruned to eliminate duplicates Z: 165 109.345 2.427 0.695 0.778 0.951 0.756 CB 1.706 165 residues pruned to eliminate duplicates Z: 90 98.004 2.499 0.821 0.806 0.966 0.742 CB 1.809 90 residues pruned to eliminate duplicates Z: 32 60.744 2.536 1.082 0.758 0.935 0.677 CB 1.755 32 residues pruned to eliminate duplicates Z: 91 98.184 2.475 0.862 0.799 0.967 0.756 CB 1.788 91 residues pruned to eliminate duplicates Z: 47 70.987 2.385 0.900 0.840 0.978 0.717 CB 1.762 47 residues pruned to eliminate duplicates Z: 167 124.122 2.426 0.904 0.778 0.946 0.741 CB 1.725 167 residues pruned to eliminate duplicates Z: 30 57.393 2.325 0.784 0.949 1.000 0.793 CB 1.773 30 residues pruned to eliminate duplicates Z: 90 96.844 2.500 0.804 0.814 0.955 0.775 CB 1.813 90 residues pruned to eliminate duplicates Z: 89 102.976 2.486 0.943 0.795 0.966 0.750 CB 1.816 89 residues pruned to eliminate duplicates Z: 90 101.623 2.493 0.930 0.803 0.966 0.742 CB 1.778 90 residues pruned to eliminate duplicates Z: 92 92.255 2.445 0.777 0.805 0.978 0.692 CB 1.743 92 residues pruned to eliminate duplicates Z: 90 103.939 2.502 0.931 0.812 0.966 0.798 CB 1.799 90 residues pruned to eliminate duplicates Z: 92 96.536 2.439 0.878 0.796 0.989 0.714 CB 1.724 92 residues pruned to eliminate duplicates Z: 88 97.409 2.438 0.974 0.774 0.954 0.736 CB 1.786 88 residues pruned to eliminate duplicates Z: 91 102.512 2.469 0.916 0.818 0.978 0.744 CB 1.773 91 residues pruned to eliminate duplicates Z: 27 64.859 2.369 1.063 0.937 1.000 0.769 CB 1.811 27 residues pruned to eliminate duplicates Z: 88 96.320 2.459 0.882 0.800 0.954 0.736 CB 1.798 88 residues pruned to eliminate duplicates Z: 47 80.578 2.379 1.192 0.838 0.978 0.652 CB 1.741 47 residues pruned to eliminate duplicates Z: 48 75.482 2.393 1.126 0.804 0.979 0.660 CB 1.696 48 residues pruned to eliminate duplicates Z: 90 105.316 2.494 0.962 0.810 0.978 0.730 CB 1.781 90 residues pruned to eliminate duplicates Z: 90 103.458 2.474 0.985 0.806 0.966 0.596 CB 1.769 90 residues pruned to eliminate duplicates Z: 30 63.401 2.350 1.075 0.935 0.966 0.724 CB 1.743 30 residues pruned to eliminate duplicates Z: 124 107.055 2.451 0.898 0.769 0.951 0.715 CB 1.720 124 residues pruned to eliminate duplicates Z: 91 101.542 2.469 0.925 0.813 0.978 0.811 CB 1.754 91 residues pruned to eliminate duplicates Z: 90 108.190 2.490 1.002 0.818 0.966 0.730 CB 1.807 90 residues pruned to eliminate duplicates Z: 30 65.155 2.351 1.209 0.946 0.931 0.552 CB 1.730 30 residues pruned to eliminate duplicates Z: 48 80.199 2.355 1.206 0.827 0.979 0.617 CB 1.734 48 residues pruned to eliminate duplicates Z: 123 100.874 2.452 0.815 0.762 0.951 0.697 CB 1.711 123 residues pruned to eliminate duplicates Z: 163 116.876 2.432 0.847 0.776 0.944 0.765 CB 1.696 163 residues pruned to eliminate duplicates Z: 99 93.467 2.423 0.884 0.787 0.949 0.714 CB 1.693 99 residues pruned to eliminate duplicates Z: 34 40.177 2.375 0.763 0.646 0.909 0.576 CB 1.604 34 residues pruned to eliminate duplicates Z: 26 39.943 2.390 0.912 0.696 0.880 0.600 CB 1.661 26 residues pruned to eliminate duplicates Z: 95 87.916 2.409 0.921 0.780 0.926 0.691 CB 1.654 95 residues pruned to eliminate duplicates Z: 99 85.656 2.402 0.858 0.789 0.918 0.755 CB 1.638 99 residues pruned to eliminate duplicates Z: 94 81.436 2.413 0.778 0.777 0.935 0.763 CB 1.648 94 residues pruned to eliminate duplicates Z: 93 79.750 2.421 0.788 0.780 0.913 0.783 CB 1.644 93 residues pruned to eliminate duplicates Z: 49 64.586 2.524 0.968 0.751 0.896 0.646 CB 1.675 49 residues pruned to eliminate duplicates Z: 97 79.909 2.382 0.740 0.755 0.948 0.688 CB 1.653 97 residues pruned to eliminate duplicates Z: 92 83.477 2.408 0.771 0.787 0.956 0.824 CB 1.667 92 residues pruned to eliminate duplicates Z: 95 82.268 2.420 0.761 0.778 0.926 0.766 CB 1.682 95 residues pruned to eliminate duplicates Z: 95 83.011 2.421 0.709 0.787 0.947 0.755 CB 1.699 95 residues pruned to eliminate duplicates Z: 53 57.559 2.448 0.892 0.701 0.865 0.673 CB 1.658 53 residues pruned to eliminate duplicates Z: 94 90.701 2.444 0.822 0.787 0.957 0.774 CB 1.715 94 residues pruned to eliminate duplicates Z: 52 59.022 2.478 0.916 0.712 0.882 0.706 CB 1.628 52 residues pruned to eliminate duplicates Z: 94 82.714 2.432 0.749 0.781 0.935 0.731 CB 1.682 94 residues pruned to eliminate duplicates Z: 64 71.137 2.435 0.925 0.739 0.937 0.683 CB 1.648 64 residues pruned to eliminate duplicates Z: 51 66.702 2.506 0.956 0.734 0.940 0.660 CB 1.659 51 residues pruned to eliminate duplicates Z: 74 70.381 2.399 0.787 0.743 0.918 0.685 CB 1.684 74 residues pruned to eliminate duplicates Z: 96 82.593 2.409 0.783 0.753 0.937 0.768 CB 1.681 96 residues pruned to eliminate duplicates Z: 97 83.726 2.411 0.774 0.755 0.938 0.750 CB 1.698 97 residues pruned to eliminate duplicates Z: 94 89.013 2.441 0.850 0.786 0.935 0.763 CB 1.698 94 residues pruned to eliminate duplicates Z: 48 68.708 2.518 1.005 0.759 0.915 0.766 CB 1.724 48 residues pruned to eliminate duplicates Z: 94 84.953 2.434 0.765 0.783 0.946 0.796 CB 1.689 94 residues pruned to eliminate duplicates Z: 49 62.058 2.477 0.965 0.727 0.896 0.750 CB 1.675 49 residues pruned to eliminate duplicates Z: 93 87.843 2.437 0.820 0.798 0.957 0.793 CB 1.663 93 residues pruned to eliminate duplicates Z: 94 83.553 2.436 0.788 0.777 0.925 0.796 CB 1.685 94 residues pruned to eliminate duplicates Z: 94 83.497 2.428 0.714 0.778 0.968 0.763 CB 1.683 94 residues pruned to eliminate duplicates Z: 91 87.281 2.455 0.836 0.798 0.933 0.778 CB 1.685 91 residues pruned to eliminate duplicates Z: 51 61.234 2.438 0.849 0.753 0.920 0.760 CB 1.666 51 residues pruned to eliminate duplicates Z: 93 87.458 2.443 0.790 0.795 0.957 0.793 CB 1.683 93 residues pruned to eliminate duplicates Z: 94 84.485 2.433 0.778 0.773 0.957 0.731 CB 1.662 94 residues pruned to eliminate duplicates Z: 94 86.143 2.431 0.768 0.773 0.968 0.796 CB 1.686 94 residues pruned to eliminate duplicates Z: 88 77.748 2.402 0.752 0.736 0.954 0.736 CB 1.681 88 residues pruned to eliminate duplicates Z: 47 48.772 2.298 0.502 0.805 0.935 0.826 CB 1.708 47 residues pruned to eliminate duplicates Z: 46 55.483 2.294 0.699 0.836 0.956 0.800 CB 1.662 46 residues pruned to eliminate duplicates Z: 94 81.542 2.429 0.735 0.780 0.946 0.763 CB 1.657 94 residues pruned to eliminate duplicates Z: 45 58.423 2.313 0.692 0.848 0.977 0.864 CB 1.708 45 residues pruned to eliminate duplicates Z: 46 60.294 2.320 0.737 0.826 1.000 0.756 CB 1.682 46 residues pruned to eliminate duplicates Z: 94 89.152 2.410 0.920 0.787 0.935 0.753 CB 1.659 94 residues pruned to eliminate duplicates Z: 95 84.289 2.428 0.799 0.779 0.915 0.787 CB 1.701 95 residues pruned to eliminate duplicates Z: 101 82.720 2.400 0.774 0.758 0.950 0.720 CB 1.627 101 residues pruned to eliminate duplicates Z: 94 88.482 2.427 0.843 0.784 0.957 0.731 CB 1.669 94 residues pruned to eliminate duplicates Z: 94 84.457 2.420 0.792 0.780 0.946 0.763 CB 1.667 94 residues pruned to eliminate duplicates Z: 94 87.761 2.410 0.904 0.788 0.935 0.677 CB 1.645 94 residues pruned to eliminate duplicates Z: 47 57.387 2.318 0.686 0.816 0.978 0.717 CB 1.681 47 residues pruned to eliminate duplicates Z: 91 78.230 2.405 0.771 0.754 0.889 0.756 CB 1.738 91 residues pruned to eliminate duplicates Z: 95 88.029 2.421 0.841 0.778 0.957 0.755 CB 1.664 95 residues pruned to eliminate duplicates Z: 34 44.710 2.212 0.558 0.841 1.000 0.879 CB 1.684 34 residues pruned to eliminate duplicates Z: 45 58.993 2.333 0.695 0.826 1.000 0.705 CB 1.695 45 residues pruned to eliminate duplicates Z: 47 55.240 2.287 0.693 0.815 0.957 0.870 CB 1.672 47 residues pruned to eliminate duplicates Z: 32 44.524 2.326 0.408 0.867 1.000 0.903 CB 1.786 32 residues pruned to eliminate duplicates Z: 31 49.985 2.367 0.559 0.881 1.000 0.833 CB 1.791 31 residues pruned to eliminate duplicates Z: 47 63.375 2.297 0.900 0.824 0.978 0.674 CB 1.654 47 residues pruned to eliminate duplicates Z: 48 58.417 2.282 0.807 0.792 0.957 0.660 CB 1.671 48 residues pruned to eliminate duplicates Z: 48 67.467 2.276 0.993 0.826 0.979 0.702 CB 1.673 48 residues pruned to eliminate duplicates Z: 91 87.006 2.422 0.912 0.754 0.944 0.656 CB 1.672 91 residues pruned to eliminate duplicates Z: 93 98.095 2.449 0.974 0.790 0.957 0.739 CB 1.715 93 residues pruned to eliminate duplicates Z: 95 93.767 2.439 0.963 0.783 0.936 0.745 CB 1.682 95 residues pruned to eliminate duplicates Z: 95 94.981 2.413 1.059 0.779 0.926 0.649 CB 1.666 95 residues pruned to eliminate duplicates Z: 92 97.607 2.423 1.028 0.786 0.956 0.692 CB 1.694 92 residues pruned to eliminate duplicates Z: 46 71.508 2.328 1.137 0.848 0.956 0.689 CB 1.664 47 residues pruned to eliminate duplicates Z: 29 65.540 2.350 1.011 0.950 1.000 0.821 CB 1.807 29 residues pruned to eliminate duplicates Z: 46 70.245 2.301 1.131 0.815 0.956 0.600 CB 1.700 46 residues pruned to eliminate duplicates Z: 46 74.869 2.338 1.241 0.825 0.956 0.556 CB 1.682 46 residues pruned to eliminate duplicates Z: 45 77.726 2.333 1.247 0.851 0.977 0.659 CB 1.693 45 residues pruned to eliminate duplicates Z: 30 70.333 2.347 1.181 0.934 1.000 0.759 CB 1.779 30 residues pruned to eliminate duplicates Z: 47 70.980 2.317 1.162 0.827 0.957 0.717 CB 1.646 47 residues pruned to eliminate duplicates Z: 33 66.935 2.299 1.129 0.878 1.000 0.812 CB 1.755 33 residues pruned to eliminate duplicates Z: 93 102.634 2.449 1.134 0.794 0.946 0.739 CB 1.673 93 residues pruned to eliminate duplicates Z: 30 74.408 2.363 1.213 0.956 1.000 0.931 CB 1.814 30 residues pruned to eliminate duplicates Z: 95 98.772 2.411 1.075 0.785 0.957 0.681 CB 1.655 95 residues pruned to eliminate duplicates Z: 94 97.867 2.446 1.016 0.792 0.957 0.785 CB 1.665 94 residues pruned to eliminate duplicates Z: 33 67.722 2.280 1.203 0.876 1.000 0.812 CB 1.732 33 residues pruned to eliminate duplicates Z: 96 95.833 2.404 1.104 0.779 0.926 0.674 CB 1.642 96 residues pruned to eliminate duplicates Z: 32 72.558 2.330 1.355 0.875 1.000 0.645 CB 1.727 32 residues pruned to eliminate duplicates Z: 51 56.108 2.508 0.761 0.745 0.900 0.740 CB 1.604 51 residues pruned to eliminate duplicates Z: 96 76.713 2.391 0.687 0.763 0.937 0.768 CB 1.649 96 residues pruned to eliminate duplicates Z: 96 78.477 2.400 0.668 0.782 0.937 0.800 CB 1.675 96 residues pruned to eliminate duplicates Z: 94 76.197 2.422 0.616 0.775 0.925 0.785 CB 1.713 94 residues pruned to eliminate duplicates Z: 24 36.774 2.438 0.687 0.724 0.913 0.696 CB 1.669 24 residues pruned to eliminate duplicates Z: 95 77.204 2.417 0.668 0.770 0.915 0.766 CB 1.700 95 residues pruned to eliminate duplicates Z: 90 82.451 2.441 0.686 0.807 0.944 0.798 CB 1.722 90 residues pruned to eliminate duplicates Z: 96 80.560 2.405 0.683 0.764 0.947 0.789 CB 1.705 96 residues pruned to eliminate duplicates Z: 95 81.921 2.412 0.760 0.766 0.915 0.745 CB 1.718 95 residues pruned to eliminate duplicates Z: 94 80.935 2.427 0.681 0.783 0.946 0.731 CB 1.695 94 residues pruned to eliminate duplicates Z: 16 24.326 2.343 0.819 0.578 0.867 0.667 CB 1.578 Z: 12 28.859 2.227 0.625 0.852 1.000 0.818 CA 1.778 12 residues pruned to eliminate duplicates Z: 12 34.261 2.334 0.761 0.901 1.000 0.818 CA 1.794 12 residues pruned to eliminate duplicates 195 residues left after pruning, divided into chains as follows: A: 12 B: 167 C: 16 CC for partial structure against native data = 41.70 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.576, Connect. = 0.763 for dens.mod. cycle 1 = 0.300, Contrast = 0.657, Connect. = 0.792 for dens.mod. cycle 2 = 0.300, Contrast = 0.800, Connect. = 0.820 for dens.mod. cycle 3 = 0.300, Contrast = 0.817, Connect. = 0.823 for dens.mod. cycle 4 = 0.300, Contrast = 0.835, Connect. = 0.825 for dens.mod. cycle 5 = 0.300, Contrast = 0.843, Connect. = 0.826 for dens.mod. cycle 6 = 0.300, Contrast = 0.851, Connect. = 0.828 for dens.mod. cycle 7 = 0.300, Contrast = 0.856, Connect. = 0.829 for dens.mod. cycle 8 = 0.300, Contrast = 0.860, Connect. = 0.830 for dens.mod. cycle 9 = 0.300, Contrast = 0.863, Connect. = 0.830 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1162 peaks > 0.5 sigma used to seed fragment search Space for about 286 unique residues taking solvent into account 242 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 28 50.370 2.413 0.430 0.961 1.000 0.889 CB 1.924 B: 29 59.335 2.338 0.753 0.948 1.000 0.857 CB 1.889 28 residues pruned to eliminate duplicates C: 29 51.091 2.389 0.435 0.926 1.000 0.857 CB 1.975 29 residues pruned to eliminate duplicates D: 30 44.570 2.356 0.353 0.943 0.966 0.966 CB 1.863 30 residues pruned to eliminate duplicates E: 18 46.582 2.577 0.878 0.898 1.000 0.882 CB 1.670 F: 30 51.485 2.327 0.569 0.948 1.000 1.000 CB 1.808 G: 30 41.346 2.364 0.276 0.950 1.000 0.897 CB 1.755 31 residues pruned to eliminate duplicates H: 29 55.395 2.361 0.638 0.948 1.000 1.000 CB 1.870 30 residues pruned to eliminate duplicates I: 17 47.307 2.636 0.885 0.918 1.000 0.875 CB 1.679 J: 24 47.030 2.393 0.670 0.900 0.957 0.696 CB 1.832 K: 30 60.554 2.318 0.885 0.943 1.000 0.897 CB 1.783 29 residues pruned to eliminate duplicates L: 30 57.539 2.351 0.742 0.946 1.000 0.931 CB 1.806 30 residues pruned to eliminate duplicates M: 30 50.983 2.398 0.490 0.940 1.000 0.897 CB 1.840 30 residues pruned to eliminate duplicates N: 20 39.184 2.393 0.762 0.837 0.895 0.842 CB 1.782 20 residues pruned to eliminate duplicates O: 30 51.604 2.315 0.616 0.922 0.966 0.828 CB 1.866 30 residues pruned to eliminate duplicates P: 30 51.141 2.333 0.783 0.938 0.931 0.690 CB 1.705 30 residues pruned to eliminate duplicates Q: 30 59.830 2.345 0.807 0.952 1.000 0.897 CB 1.805 30 residues pruned to eliminate duplicates R: 23 45.461 2.437 0.531 0.917 0.955 0.818 CB 1.921 23 residues pruned to eliminate duplicates S: 23 39.180 2.508 0.315 0.877 0.955 0.818 CB 1.927 23 residues pruned to eliminate duplicates T: 19 30.459 2.433 0.361 0.916 1.000 0.889 CB 1.531 19 residues pruned to eliminate duplicates U: 29 55.496 2.368 0.635 0.948 1.000 0.964 CB 1.871 29 residues pruned to eliminate duplicates V: 18 40.007 2.520 0.356 0.940 1.000 1.000 CB 1.971 18 residues pruned to eliminate duplicates W: 17 40.488 2.632 0.649 0.905 1.000 0.875 CB 1.660 17 residues pruned to eliminate duplicates X: 22 44.091 2.496 0.437 0.887 1.000 0.667 CB 1.933 22 residues pruned to eliminate duplicates Y: 30 60.693 2.345 0.840 0.938 1.000 0.966 CB 1.817 30 residues pruned to eliminate duplicates Z: 29 62.948 2.369 0.926 0.961 0.964 0.964 CB 1.851 30 residues pruned to eliminate duplicates Z: 15 32.386 2.247 0.620 0.874 1.000 0.643 CB 1.731 15 residues pruned to eliminate duplicates Z: 17 35.915 2.574 0.563 0.896 1.000 1.000 CB 1.599 17 residues pruned to eliminate duplicates Z: 30 60.991 2.323 0.925 0.943 1.000 0.828 CB 1.756 30 residues pruned to eliminate duplicates Z: 23 41.836 2.420 0.650 0.886 0.955 0.682 CB 1.689 Z: 29 49.218 2.318 0.553 0.958 1.000 0.929 CB 1.772 29 residues pruned to eliminate duplicates Z: 22 45.965 2.477 0.650 0.909 0.952 0.810 CB 1.829 24 residues pruned to eliminate duplicates Z: 30 58.747 2.336 0.795 0.945 1.000 0.759 CB 1.800 30 residues pruned to eliminate duplicates Z: 29 54.693 2.384 0.631 0.951 1.000 0.893 CB 1.832 29 residues pruned to eliminate duplicates Z: 24 39.532 2.370 0.467 0.909 0.957 0.696 CB 1.759 23 residues pruned to eliminate duplicates Z: 17 43.033 2.620 0.695 0.912 1.000 0.938 CB 1.716 17 residues pruned to eliminate duplicates Z: 30 48.485 2.309 0.492 0.950 1.000 0.966 CB 1.803 29 residues pruned to eliminate duplicates Z: 14 37.458 2.323 0.906 0.899 1.000 0.692 CB 1.678 Z: 30 46.192 2.348 0.442 0.946 0.966 0.897 CB 1.815 30 residues pruned to eliminate duplicates Z: 29 56.511 2.347 0.742 0.947 1.000 1.000 CB 1.804 29 residues pruned to eliminate duplicates Z: 18 49.894 2.510 1.058 0.876 1.000 0.882 CB 1.703 18 residues pruned to eliminate duplicates Z: 20 45.111 2.371 0.607 0.943 1.000 0.842 CB 1.881 20 residues pruned to eliminate duplicates Z: 18 39.573 2.519 0.889 0.869 0.941 0.824 CB 1.565 17 residues pruned to eliminate duplicates Z: 18 43.605 2.489 1.040 0.885 0.941 0.882 CB 1.599 18 residues pruned to eliminate duplicates Z: 17 46.578 2.585 1.087 0.903 0.938 0.812 CB 1.640 17 residues pruned to eliminate duplicates Z: 24 38.772 2.378 0.443 0.927 0.913 0.783 CB 1.808 24 residues pruned to eliminate duplicates Z: 15 37.547 2.273 0.773 0.898 1.000 0.929 CB 1.781 15 residues pruned to eliminate duplicates Z: 29 57.413 2.392 0.721 0.947 0.964 0.893 CB 1.889 29 residues pruned to eliminate duplicates Z: 18 44.890 2.524 1.010 0.888 1.000 0.765 CB 1.547 18 residues pruned to eliminate duplicates Z: 24 39.352 2.423 0.348 0.908 0.957 0.826 CB 1.866 24 residues pruned to eliminate duplicates Z: 29 48.641 2.405 0.445 0.960 0.964 0.929 CB 1.879 29 residues pruned to eliminate duplicates Z: 15 47.871 2.288 1.137 0.912 1.000 0.857 CB 1.852 14 residues pruned to eliminate duplicates Z: 20 40.553 2.431 0.547 0.931 1.000 0.895 CB 1.729 20 residues pruned to eliminate duplicates Z: 15 35.866 2.262 1.190 0.860 0.857 0.643 CB 1.660 15 residues pruned to eliminate duplicates Z: 23 47.108 2.452 0.669 0.885 0.955 0.682 CB 1.856 21 residues pruned to eliminate duplicates Z: 24 44.439 2.458 0.547 0.844 0.957 0.870 CB 1.895 24 residues pruned to eliminate duplicates Z: 24 32.384 2.388 0.465 0.883 0.783 0.696 CB 1.784 24 residues pruned to eliminate duplicates Z: 30 64.166 2.332 0.975 0.942 1.000 0.793 CB 1.793 30 residues pruned to eliminate duplicates Z: 15 48.999 2.267 1.332 0.898 1.000 0.714 CB 1.772 15 residues pruned to eliminate duplicates Z: 30 66.386 2.368 1.043 0.950 0.966 0.862 CB 1.820 29 residues pruned to eliminate duplicates Z: 17 43.598 2.600 0.967 0.884 0.938 0.812 CB 1.642 17 residues pruned to eliminate duplicates Z: 19 38.538 2.412 0.877 0.904 0.944 0.833 CB 1.513 19 residues pruned to eliminate duplicates Z: 23 33.585 2.482 0.185 0.858 0.955 0.864 CB 1.878 23 residues pruned to eliminate duplicates Z: 29 53.526 2.404 0.622 0.939 0.964 0.857 CB 1.869 28 residues pruned to eliminate duplicates Z: 18 39.751 2.608 0.709 0.911 0.941 0.882 CB 1.629 18 residues pruned to eliminate duplicates Z: 18 46.203 2.600 0.736 0.909 1.000 0.941 CB 1.762 17 residues pruned to eliminate duplicates Z: 30 64.369 2.342 0.933 0.935 1.000 0.862 CB 1.840 30 residues pruned to eliminate duplicates Z: 16 41.923 2.171 1.133 0.857 1.000 0.467 CB 1.723 16 residues pruned to eliminate duplicates Z: 22 42.819 2.468 0.444 0.918 0.952 0.905 CB 1.942 22 residues pruned to eliminate duplicates Z: 30 53.305 2.341 0.684 0.908 0.966 0.828 CB 1.847 30 residues pruned to eliminate duplicates Z: 30 62.336 2.343 0.860 0.930 1.000 0.862 CB 1.858 30 residues pruned to eliminate duplicates Z: 20 49.727 2.404 1.054 0.900 1.000 0.842 CB 1.650 20 residues pruned to eliminate duplicates Z: 30 58.403 2.345 0.868 0.945 1.000 0.793 CB 1.713 30 residues pruned to eliminate duplicates Z: 24 43.595 2.345 0.479 0.893 1.000 0.826 CB 1.883 24 residues pruned to eliminate duplicates Z: 14 28.310 2.196 0.410 0.898 1.000 0.692 CB 1.814 Z: 29 48.783 2.430 0.535 0.944 0.929 0.893 CB 1.843 29 residues pruned to eliminate duplicates Z: 14 51.959 2.452 1.164 0.916 1.000 0.692 CB 1.918 15 residues pruned to eliminate duplicates Z: 19 42.061 2.440 0.903 0.904 0.944 0.944 CB 1.610 19 residues pruned to eliminate duplicates Z: 30 55.910 2.306 0.710 0.921 1.000 0.828 CB 1.853 30 residues pruned to eliminate duplicates Z: 22 52.082 2.509 0.821 0.931 0.952 0.905 CB 1.824 24 residues pruned to eliminate duplicates Z: 17 35.526 2.540 0.659 0.868 0.938 0.875 CB 1.644 17 residues pruned to eliminate duplicates Z: 19 44.954 2.484 0.978 0.878 0.944 0.778 CB 1.658 19 residues pruned to eliminate duplicates Z: 24 39.402 2.449 0.428 0.846 0.913 0.783 CB 1.912 24 residues pruned to eliminate duplicates Z: 27 63.057 2.435 0.916 0.955 0.962 0.769 CB 1.894 27 residues pruned to eliminate duplicates Z: 14 36.239 2.153 0.942 0.945 1.000 0.923 CB 1.665 14 residues pruned to eliminate duplicates Z: 24 46.111 2.377 0.608 0.879 0.957 0.783 CB 1.908 24 residues pruned to eliminate duplicates Z: 23 43.886 2.519 0.463 0.888 0.955 0.864 CB 1.917 23 residues pruned to eliminate duplicates Z: 29 62.279 2.364 0.861 0.958 1.000 0.964 CB 1.835 29 residues pruned to eliminate duplicates Z: 17 38.556 2.615 0.816 0.898 0.938 0.875 CB 1.548 17 residues pruned to eliminate duplicates Z: 22 48.899 2.464 0.865 0.937 0.905 0.810 CB 1.786 21 residues pruned to eliminate duplicates Z: 22 37.146 2.357 0.494 0.893 1.000 0.714 CB 1.652 22 residues pruned to eliminate duplicates Z: 25 41.568 2.315 0.662 0.901 0.958 0.750 CB 1.642 25 residues pruned to eliminate duplicates Z: 18 39.565 2.481 0.875 0.874 0.941 0.824 CB 1.595 18 residues pruned to eliminate duplicates Z: 15 27.476 2.098 0.390 0.907 1.000 0.857 CB 1.789 15 residues pruned to eliminate duplicates Z: 22 51.468 2.442 0.881 0.946 0.952 0.857 CB 1.776 22 residues pruned to eliminate duplicates Z: 29 59.579 2.338 0.899 0.957 1.000 0.750 CB 1.741 29 residues pruned to eliminate duplicates Z: 13 48.005 2.711 0.927 0.918 1.000 0.750 CB 1.871 13 residues pruned to eliminate duplicates Z: 14 54.086 2.414 1.253 0.940 1.000 0.692 CB 1.915 14 residues pruned to eliminate duplicates Z: 25 40.204 2.448 0.349 0.832 1.000 0.792 CB 1.866 25 residues pruned to eliminate duplicates Z: 18 34.131 2.509 0.398 0.926 1.000 0.882 CB 1.655 18 residues pruned to eliminate duplicates Z: 23 49.302 2.488 0.721 0.932 0.909 0.818 CB 1.885 23 residues pruned to eliminate duplicates Z: 30 63.374 2.332 0.922 0.956 1.000 0.759 CB 1.804 30 residues pruned to eliminate duplicates Z: 18 47.343 2.566 0.946 0.919 1.000 0.765 CB 1.620 18 residues pruned to eliminate duplicates Z: 17 38.681 2.559 0.798 0.887 0.938 0.875 CB 1.617 17 residues pruned to eliminate duplicates Z: 30 46.850 2.324 0.465 0.935 1.000 0.931 CB 1.780 30 residues pruned to eliminate duplicates Z: 29 45.136 2.369 0.425 0.924 0.964 0.821 CB 1.840 29 residues pruned to eliminate duplicates Z: 24 46.568 2.352 0.797 0.902 0.957 0.783 CB 1.714 24 residues pruned to eliminate duplicates Z: 17 30.385 2.572 0.500 0.899 0.938 0.938 CB 1.501 17 residues pruned to eliminate duplicates Z: 28 68.588 2.388 1.073 0.956 1.000 0.852 CB 1.831 28 residues pruned to eliminate duplicates Z: 29 66.999 2.379 1.081 0.941 1.000 0.536 CB 1.775 29 residues pruned to eliminate duplicates Z: 23 37.423 2.477 0.319 0.875 0.955 0.773 CB 1.859 23 residues pruned to eliminate duplicates Z: 30 53.178 2.299 0.653 0.946 1.000 0.828 CB 1.798 30 residues pruned to eliminate duplicates Z: 24 40.160 2.379 0.486 0.892 0.957 0.652 CB 1.779 24 residues pruned to eliminate duplicates Z: 14 39.602 2.148 1.218 0.949 1.000 0.846 CB 1.591 14 residues pruned to eliminate duplicates Z: 23 44.968 2.372 0.885 0.897 0.909 0.773 CB 1.688 23 residues pruned to eliminate duplicates Z: 63 75.627 2.490 0.882 0.721 0.919 0.710 CB 1.825 63 residues pruned to eliminate duplicates Z: 15 39.664 2.082 1.096 0.933 1.000 0.857 CB 1.695 14 residues pruned to eliminate duplicates Z: 25 41.320 2.481 0.333 0.866 0.958 0.833 CB 1.947 25 residues pruned to eliminate duplicates Z: 19 26.487 2.271 0.200 0.909 0.944 0.667 CB 1.721 19 residues pruned to eliminate duplicates Z: 19 42.574 2.404 0.544 0.928 1.000 0.944 CB 1.893 19 residues pruned to eliminate duplicates Z: 23 49.431 2.443 0.935 0.923 0.864 0.682 CB 1.814 23 residues pruned to eliminate duplicates Z: 24 42.477 2.318 0.808 0.917 0.913 0.739 CB 1.633 24 residues pruned to eliminate duplicates Z: 14 30.168 2.167 0.523 0.910 1.000 0.769 CA 1.797 14 residues pruned to eliminate duplicates Z: 25 33.402 2.326 0.488 0.844 0.875 0.667 CB 1.676 25 residues pruned to eliminate duplicates Z: 48 50.146 2.431 0.556 0.737 0.936 0.809 CB 1.670 48 residues pruned to eliminate duplicates Z: 18 45.975 2.530 1.009 0.890 1.000 0.824 CB 1.579 18 residues pruned to eliminate duplicates Z: 25 43.772 2.382 0.661 0.868 0.917 0.792 CB 1.801 25 residues pruned to eliminate duplicates Z: 22 41.863 2.477 0.494 0.918 0.952 0.762 CB 1.827 22 residues pruned to eliminate duplicates Z: 23 50.039 2.429 0.678 0.904 1.000 0.864 CB 1.864 23 residues pruned to eliminate duplicates Z: 25 42.579 2.400 0.858 0.825 0.833 0.708 CB 1.765 25 residues pruned to eliminate duplicates Z: 14 38.546 2.226 0.967 0.943 1.000 0.846 CB 1.692 14 residues pruned to eliminate duplicates Z: 30 57.298 2.310 0.939 0.918 0.931 0.828 CB 1.800 30 residues pruned to eliminate duplicates Z: 6 3.774 1.836 0.044 0.670 0.600 0.600 CA 1.255 6 residues pruned to eliminate duplicates Z: 59 62.803 2.474 0.682 0.766 0.914 0.741 CB 1.714 59 residues pruned to eliminate duplicates Z: 24 44.994 2.315 0.728 0.879 0.957 0.870 CB 1.778 24 residues pruned to eliminate duplicates Z: 17 43.320 2.601 0.815 0.909 1.000 0.812 CB 1.629 17 residues pruned to eliminate duplicates Z: 30 59.224 2.317 0.857 0.938 1.000 0.793 CB 1.777 30 residues pruned to eliminate duplicates Z: 22 52.866 2.425 1.055 0.927 0.952 0.619 CB 1.703 22 residues pruned to eliminate duplicates Z: 22 42.641 2.490 0.480 0.876 1.000 0.857 CB 1.836 22 residues pruned to eliminate duplicates Z: 30 63.130 2.331 0.986 0.963 0.966 0.862 CB 1.793 30 residues pruned to eliminate duplicates Z: 20 27.250 2.249 0.372 0.859 1.000 0.842 CB 1.490 20 residues pruned to eliminate duplicates Z: 46 60.984 2.406 0.586 0.848 0.978 0.867 CB 1.808 44 residues pruned to eliminate duplicates Z: 30 50.435 2.345 0.570 0.924 1.000 0.897 CB 1.786 30 residues pruned to eliminate duplicates Z: 17 43.394 2.579 0.876 0.881 0.938 0.938 CB 1.733 17 residues pruned to eliminate duplicates Z: 29 52.167 2.383 0.624 0.953 0.964 0.893 CB 1.818 29 residues pruned to eliminate duplicates Z: 23 51.449 2.448 0.826 0.910 0.955 0.682 CB 1.822 23 residues pruned to eliminate duplicates Z: 16 33.586 2.507 0.393 0.944 1.000 1.000 CB 1.720 16 residues pruned to eliminate duplicates Z: 34 50.593 2.458 0.907 0.709 0.909 0.545 CB 1.710 28 residues pruned to eliminate duplicates Z: 8 14.905 2.099 0.521 0.819 0.857 0.857 CB 1.561 8 residues pruned to eliminate duplicates Z: 20 25.574 2.245 0.260 0.888 0.947 0.842 CB 1.577 20 residues pruned to eliminate duplicates Z: 14 40.008 2.169 1.096 0.949 1.000 0.846 CB 1.684 14 residues pruned to eliminate duplicates Z: 16 34.452 2.121 0.645 0.915 1.000 0.867 CA 1.802 16 residues pruned to eliminate duplicates Z: 22 48.969 2.368 1.054 0.899 0.905 0.762 CB 1.736 22 residues pruned to eliminate duplicates Z: 16 29.903 2.329 0.465 0.933 1.000 1.000 CB 1.579 16 residues pruned to eliminate duplicates Z: 64 67.848 2.416 0.661 0.823 0.937 0.825 CB 1.719 65 residues pruned to eliminate duplicates Z: 14 28.528 2.176 0.382 0.943 1.000 0.846 CB 1.824 14 residues pruned to eliminate duplicates Z: 20 35.927 2.318 0.456 0.927 0.947 0.895 CB 1.806 20 residues pruned to eliminate duplicates Z: 24 41.731 2.344 0.603 0.884 0.957 0.826 CB 1.749 24 residues pruned to eliminate duplicates Z: 14 41.439 2.166 1.200 0.940 1.000 0.462 CB 1.675 14 residues pruned to eliminate duplicates Z: 28 66.788 2.459 0.945 0.959 0.963 0.667 CB 1.913 28 residues pruned to eliminate duplicates Z: 14 25.585 2.142 0.476 0.896 1.000 0.846 CB 1.608 14 residues pruned to eliminate duplicates Z: 91 85.118 2.442 0.625 0.817 0.978 0.756 CB 1.757 91 residues pruned to eliminate duplicates Z: 21 58.998 2.465 1.192 0.934 0.950 0.900 CB 1.793 21 residues pruned to eliminate duplicates Z: 6 13.527 2.376 0.067 0.840 1.000 0.600 CB 1.780 6 residues pruned to eliminate duplicates Z: 29 73.346 2.385 1.185 0.966 1.000 0.786 CB 1.815 29 residues pruned to eliminate duplicates Z: 28 71.500 2.395 1.093 0.964 1.000 0.778 CB 1.875 28 residues pruned to eliminate duplicates Z: 8 8.701 1.780 0.214 0.828 1.000 0.571 CB 1.147 Z: 13 32.771 2.243 0.819 0.911 1.000 0.917 CB 1.643 13 residues pruned to eliminate duplicates Z: 6 3.920 1.673 0.327 0.552 0.800 0.600 CB 0.938 6 residues pruned to eliminate duplicates Z: 25 34.052 2.267 0.315 0.837 0.958 0.792 CB 1.821 25 residues pruned to eliminate duplicates Z: 15 35.242 2.112 0.870 0.906 1.000 0.857 CB 1.696 15 residues pruned to eliminate duplicates Z: 30 71.213 2.342 1.240 0.942 0.966 0.862 CB 1.812 30 residues pruned to eliminate duplicates Z: 19 48.384 2.442 1.063 0.865 1.000 0.833 CB 1.659 19 residues pruned to eliminate duplicates Z: 33 42.580 2.390 0.846 0.668 0.938 0.719 CB 1.559 33 residues pruned to eliminate duplicates Z: 16 39.716 2.140 0.968 0.908 1.000 0.800 CB 1.730 16 residues pruned to eliminate duplicates Z: 23 42.712 2.378 0.533 0.918 1.000 0.682 CB 1.761 23 residues pruned to eliminate duplicates Z: 22 24.619 2.200 0.240 0.835 0.905 0.857 CB 1.629 22 residues pruned to eliminate duplicates Z: 30 48.393 2.311 0.521 0.937 1.000 0.966 CB 1.779 30 residues pruned to eliminate duplicates Z: 13 9.745 1.743 0.256 0.573 1.000 0.583 CB 1.197 9 residues pruned to eliminate duplicates Z: 30 54.228 2.295 0.799 0.945 0.966 0.793 CB 1.748 30 residues pruned to eliminate duplicates Z: 29 66.221 2.371 0.977 0.944 1.000 0.786 CB 1.848 29 residues pruned to eliminate duplicates Z: 33 38.972 2.256 0.302 0.885 1.000 0.906 CB 1.693 33 residues pruned to eliminate duplicates Z: 29 54.486 2.339 0.723 0.935 1.000 0.893 CB 1.780 29 residues pruned to eliminate duplicates Z: 25 64.409 2.440 1.005 0.938 1.000 0.792 CB 1.870 25 residues pruned to eliminate duplicates Z: 30 65.056 2.290 1.091 0.929 0.966 0.621 CB 1.828 30 residues pruned to eliminate duplicates Z: 30 67.352 2.321 0.978 0.946 1.000 0.828 CB 1.884 30 residues pruned to eliminate duplicates Z: 6 7.560 1.947 0.419 0.745 0.800 0.600 CB 1.229 6 residues pruned to eliminate duplicates Z: 29 61.493 2.389 1.034 0.942 0.929 0.821 CB 1.786 29 residues pruned to eliminate duplicates Z: 24 56.063 2.414 0.943 0.928 0.957 0.696 CB 1.825 24 residues pruned to eliminate duplicates Z: 9 9.634 1.788 0.386 0.885 0.875 0.875 CB 1.134 9 residues pruned to eliminate duplicates Z: 16 19.728 2.019 0.262 0.835 1.000 1.000 CB 1.497 16 residues pruned to eliminate duplicates Z: 25 35.348 2.223 1.070 0.551 0.875 0.542 CB 1.706 25 residues pruned to eliminate duplicates Z: 24 44.381 2.486 0.503 0.842 0.957 0.652 CB 1.929 24 residues pruned to eliminate duplicates Z: 22 46.375 2.368 0.974 0.918 0.905 0.429 CB 1.687 22 residues pruned to eliminate duplicates Z: 6 6.764 1.807 0.404 0.798 0.800 0.800 CB 1.148 6 residues pruned to eliminate duplicates Z: 16 23.830 2.032 0.399 0.864 1.000 1.000 CB 1.587 16 residues pruned to eliminate duplicates Z: 18 26.495 2.250 0.374 0.845 0.941 0.941 CB 1.642 18 residues pruned to eliminate duplicates Z: 11 15.666 2.406 0.687 0.399 0.800 0.500 CB 1.696 7 residues pruned to eliminate duplicates Z: 8 9.072 1.787 0.225 0.850 1.000 0.714 CB 1.160 8 residues pruned to eliminate duplicates Z: 10 20.438 2.120 0.852 0.712 0.889 0.333 CB 1.612 10 residues pruned to eliminate duplicates Z: 14 44.058 2.183 1.221 0.951 1.000 0.615 CB 1.737 14 residues pruned to eliminate duplicates Z: 25 58.824 2.441 1.133 0.799 0.958 0.833 CB 1.852 25 residues pruned to eliminate duplicates Z: 13 34.590 2.283 0.737 0.929 1.000 0.917 CB 1.763 13 residues pruned to eliminate duplicates Z: 14 7.182 1.670 0.234 0.608 0.846 0.538 CB 1.030 14 residues pruned to eliminate duplicates Z: 14 43.087 2.182 1.232 0.949 1.000 0.615 CB 1.694 14 residues pruned to eliminate duplicates Z: 35 47.239 2.511 0.816 0.665 0.912 0.647 CB 1.673 35 residues pruned to eliminate duplicates Z: 30 70.325 2.360 1.108 0.955 1.000 0.828 CB 1.805 30 residues pruned to eliminate duplicates Z: 96 87.310 2.407 0.805 0.786 0.958 0.789 CB 1.673 96 residues pruned to eliminate duplicates Z: 37 55.004 2.508 0.609 0.748 0.972 0.861 CB 1.873 37 residues pruned to eliminate duplicates Z: 83 90.224 2.495 0.952 0.759 0.939 0.768 CB 1.731 83 residues pruned to eliminate duplicates Z: 37 58.372 2.579 0.634 0.747 0.972 0.778 CB 1.904 37 residues pruned to eliminate duplicates Z: 30 49.328 2.324 0.479 0.953 1.000 0.862 CB 1.833 30 residues pruned to eliminate duplicates Z: 18 47.040 2.568 0.947 0.888 1.000 0.765 CB 1.644 18 residues pruned to eliminate duplicates Z: 18 43.629 2.567 0.750 0.917 1.000 0.882 CB 1.662 18 residues pruned to eliminate duplicates Z: 14 45.730 2.500 1.056 0.930 0.923 0.923 CB 1.870 14 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 13 11.588 1.797 0.404 0.592 1.000 0.583 CB 1.214 12 residues pruned to eliminate duplicates Z: 11 14.828 1.943 0.569 0.682 1.000 0.700 CB 1.301 13 residues pruned to eliminate duplicates Z: 12 10.234 1.643 0.376 0.699 0.909 0.545 CB 1.252 11 residues pruned to eliminate duplicates Z: 9 11.354 1.812 0.403 0.853 1.000 0.500 CB 1.168 9 residues pruned to eliminate duplicates Z: 8 8.876 1.810 0.205 0.822 1.000 0.571 CB 1.163 8 residues pruned to eliminate duplicates Z: 62 48.555 2.284 0.596 0.677 0.918 0.705 CB 1.578 74 residues pruned to eliminate duplicates Z: 13 11.141 1.753 0.442 0.629 1.000 0.833 CB 1.126 Z: 9 10.815 1.774 0.327 0.884 1.000 0.875 CB 1.173 9 residues pruned to eliminate duplicates Z: 7 8.553 1.719 0.340 0.838 1.000 0.833 CB 1.133 7 residues pruned to eliminate duplicates Z: 24 44.968 2.447 0.606 0.846 0.957 0.783 CB 1.854 24 residues pruned to eliminate duplicates Z: 45 59.557 2.554 0.584 0.768 0.977 0.818 CB 1.790 45 residues pruned to eliminate duplicates Z: 92 84.122 2.411 0.706 0.789 0.978 0.769 CB 1.701 92 residues pruned to eliminate duplicates Z: 167 107.373 2.430 0.657 0.777 0.940 0.771 CB 1.724 184 residues pruned to eliminate duplicates Z: 23 42.582 2.432 0.441 0.924 0.955 0.773 CB 1.905 23 residues pruned to eliminate duplicates Z: 90 92.440 2.503 0.656 0.810 0.989 0.843 CB 1.824 90 residues pruned to eliminate duplicates Z: 45 65.327 2.562 0.792 0.785 0.932 0.795 CB 1.791 45 residues pruned to eliminate duplicates Z: 47 65.002 2.521 0.747 0.751 0.978 0.783 CB 1.778 47 residues pruned to eliminate duplicates Z: 92 84.838 2.448 0.629 0.794 0.967 0.813 CB 1.782 92 residues pruned to eliminate duplicates Z: 46 56.927 2.546 0.621 0.753 0.933 0.756 CB 1.759 46 residues pruned to eliminate duplicates Z: 90 89.043 2.487 0.686 0.788 0.955 0.798 CB 1.830 90 residues pruned to eliminate duplicates Z: 46 63.617 2.550 0.717 0.773 0.956 0.756 CB 1.781 46 residues pruned to eliminate duplicates Z: 21 42.208 2.506 0.468 0.880 1.000 0.850 CB 1.859 21 residues pruned to eliminate duplicates Z: 91 88.253 2.475 0.647 0.813 0.967 0.822 CB 1.798 91 residues pruned to eliminate duplicates Z: 69 78.895 2.561 0.711 0.762 0.971 0.721 CB 1.784 69 residues pruned to eliminate duplicates Z: 90 83.148 2.493 0.583 0.812 0.955 0.798 CB 1.783 90 residues pruned to eliminate duplicates Z: 91 84.981 2.468 0.635 0.806 0.956 0.800 CB 1.779 91 residues pruned to eliminate duplicates Z: 23 44.283 2.511 0.492 0.860 0.955 0.818 CB 1.942 23 residues pruned to eliminate duplicates Z: 90 86.112 2.489 0.623 0.792 0.966 0.809 CB 1.810 90 residues pruned to eliminate duplicates Z: 89 71.251 2.422 0.625 0.717 0.943 0.727 CB 1.681 88 residues pruned to eliminate duplicates Z: 22 40.544 2.530 0.374 0.894 0.952 0.857 CB 1.917 22 residues pruned to eliminate duplicates Z: 37 56.210 2.553 0.601 0.749 0.972 0.806 CB 1.887 37 residues pruned to eliminate duplicates Z: 140 89.552 2.421 0.644 0.753 0.892 0.734 CB 1.707 140 residues pruned to eliminate duplicates Z: 45 59.801 2.528 0.628 0.785 0.955 0.841 CB 1.786 45 residues pruned to eliminate duplicates Z: 99 86.133 2.437 0.636 0.794 0.969 0.806 CB 1.739 99 residues pruned to eliminate duplicates Z: 91 90.799 2.469 0.711 0.794 0.978 0.811 CB 1.791 91 residues pruned to eliminate duplicates Z: 100 77.870 2.412 0.532 0.767 0.949 0.788 CB 1.761 100 residues pruned to eliminate duplicates Z: 168 105.419 2.433 0.591 0.784 0.934 0.784 CB 1.757 168 residues pruned to eliminate duplicates Z: 75 78.651 2.561 0.631 0.774 0.946 0.797 CB 1.815 75 residues pruned to eliminate duplicates Z: 47 57.142 2.520 0.635 0.753 0.913 0.783 CB 1.788 47 residues pruned to eliminate duplicates Z: 91 87.901 2.475 0.632 0.802 0.978 0.789 CB 1.802 91 residues pruned to eliminate duplicates Z: 92 83.764 2.444 0.622 0.799 0.967 0.780 CB 1.764 92 residues pruned to eliminate duplicates Z: 59 71.803 2.538 0.764 0.770 0.931 0.828 CB 1.781 59 residues pruned to eliminate duplicates Z: 91 79.089 2.452 0.570 0.784 0.956 0.778 CB 1.765 91 residues pruned to eliminate duplicates Z: 91 87.163 2.469 0.628 0.803 0.978 0.822 CB 1.794 91 residues pruned to eliminate duplicates Z: 90 84.282 2.498 0.576 0.803 0.966 0.809 CB 1.801 90 residues pruned to eliminate duplicates Z: 91 88.967 2.455 0.742 0.789 0.956 0.833 CB 1.779 91 residues pruned to eliminate duplicates Z: 89 87.897 2.491 0.647 0.800 0.977 0.852 CB 1.798 89 residues pruned to eliminate duplicates Z: 90 89.309 2.500 0.632 0.788 0.978 0.831 CB 1.844 90 residues pruned to eliminate duplicates Z: 89 88.877 2.527 0.630 0.812 0.955 0.830 CB 1.837 89 residues pruned to eliminate duplicates Z: 89 92.423 2.510 0.747 0.806 0.966 0.795 CB 1.781 102 residues pruned to eliminate duplicates Z: 18 44.843 2.563 0.892 0.876 1.000 0.882 CB 1.631 18 residues pruned to eliminate duplicates Z: 168 110.471 2.430 0.644 0.785 0.952 0.778 CB 1.749 168 residues pruned to eliminate duplicates Z: 88 92.876 2.528 0.696 0.805 0.977 0.816 CB 1.822 88 residues pruned to eliminate duplicates Z: 7 12.434 1.973 0.823 0.575 0.833 0.167 CA 1.575 7 residues pruned to eliminate duplicates Z: 68 76.830 2.556 0.700 0.751 0.970 0.761 CB 1.779 68 residues pruned to eliminate duplicates Z: 89 87.984 2.521 0.633 0.808 0.955 0.830 CB 1.825 89 residues pruned to eliminate duplicates Z: 46 58.484 2.446 0.510 0.789 0.978 0.778 CB 1.874 46 residues pruned to eliminate duplicates Z: 65 75.942 2.534 0.662 0.806 0.953 0.875 CB 1.811 65 residues pruned to eliminate duplicates Z: 47 64.965 2.420 0.713 0.801 0.957 0.717 CB 1.857 47 residues pruned to eliminate duplicates Z: 87 86.947 2.460 0.664 0.786 0.965 0.802 CB 1.845 87 residues pruned to eliminate duplicates Z: 15 50.650 2.281 1.386 0.917 1.000 0.643 CB 1.755 15 residues pruned to eliminate duplicates Z: 48 61.429 2.386 0.748 0.799 0.936 0.766 CB 1.768 48 residues pruned to eliminate duplicates Z: 26 49.730 2.508 1.119 0.695 0.920 0.640 CB 1.701 26 residues pruned to eliminate duplicates Z: 91 91.427 2.475 0.724 0.802 0.967 0.789 CB 1.795 91 residues pruned to eliminate duplicates Z: 15 52.917 2.274 1.556 0.912 1.000 0.714 CB 1.723 15 residues pruned to eliminate duplicates Z: 88 94.686 2.520 0.726 0.809 0.977 0.839 CB 1.826 88 residues pruned to eliminate duplicates Z: 65 77.092 2.540 0.872 0.745 0.938 0.750 CB 1.735 65 residues pruned to eliminate duplicates Z: 91 91.448 2.467 0.731 0.800 0.978 0.811 CB 1.776 91 residues pruned to eliminate duplicates Z: 46 63.869 2.477 0.693 0.818 0.956 0.800 CB 1.803 46 residues pruned to eliminate duplicates Z: 44 69.929 2.500 0.816 0.837 0.953 0.767 CB 1.842 44 residues pruned to eliminate duplicates Z: 89 93.990 2.516 0.771 0.794 0.955 0.795 CB 1.821 89 residues pruned to eliminate duplicates Z: 44 75.050 2.501 0.836 0.840 1.000 0.744 CB 1.861 44 residues pruned to eliminate duplicates Z: 48 75.330 2.382 0.935 0.805 1.000 0.830 CB 1.827 48 residues pruned to eliminate duplicates Z: 47 74.593 2.407 0.916 0.850 0.978 0.804 CB 1.805 47 residues pruned to eliminate duplicates Z: 91 99.502 2.475 0.854 0.808 0.978 0.789 CB 1.786 91 residues pruned to eliminate duplicates Z: 12 23.281 2.188 1.391 0.830 0.818 0.545 CB 1.233 12 residues pruned to eliminate duplicates Z: 47 72.203 2.402 0.967 0.825 0.957 0.761 CB 1.778 47 residues pruned to eliminate duplicates Z: 47 77.514 2.417 0.985 0.844 0.978 0.696 CB 1.811 47 residues pruned to eliminate duplicates Z: 90 97.911 2.493 0.856 0.813 0.955 0.798 CB 1.789 90 residues pruned to eliminate duplicates Z: 49 64.012 2.373 0.849 0.827 0.917 0.792 CB 1.731 49 residues pruned to eliminate duplicates Z: 45 75.670 2.500 0.824 0.841 1.000 0.682 CB 1.865 45 residues pruned to eliminate duplicates Z: 90 102.393 2.507 0.850 0.812 0.978 0.820 CB 1.825 90 residues pruned to eliminate duplicates Z: 45 73.989 2.477 0.882 0.842 0.955 0.727 CB 1.868 45 residues pruned to eliminate duplicates Z: 46 73.894 2.463 0.945 0.852 0.933 0.778 CB 1.823 46 residues pruned to eliminate duplicates Z: 91 100.156 2.460 0.922 0.804 0.967 0.767 CB 1.772 91 residues pruned to eliminate duplicates Z: 123 102.723 2.457 0.823 0.778 0.951 0.680 CB 1.710 123 residues pruned to eliminate duplicates Z: 123 108.845 2.484 0.851 0.778 0.959 0.730 CB 1.748 123 residues pruned to eliminate duplicates Z: 91 103.313 2.476 0.947 0.805 0.978 0.767 CB 1.770 91 residues pruned to eliminate duplicates Z: 45 80.222 2.463 1.119 0.821 0.977 0.705 CB 1.794 45 residues pruned to eliminate duplicates Z: 91 105.467 2.475 0.969 0.809 0.978 0.767 CB 1.783 91 residues pruned to eliminate duplicates Z: 91 100.433 2.465 0.955 0.799 0.956 0.700 CB 1.770 91 residues pruned to eliminate duplicates Z: 31 61.463 2.294 0.974 0.951 1.000 0.767 CB 1.708 31 residues pruned to eliminate duplicates Z: 48 77.039 2.354 1.202 0.828 0.957 0.766 CB 1.705 48 residues pruned to eliminate duplicates Z: 91 104.387 2.483 0.954 0.813 0.967 0.778 CB 1.787 91 residues pruned to eliminate duplicates Z: 47 84.490 2.400 1.197 0.833 1.000 0.652 CB 1.773 47 residues pruned to eliminate duplicates Z: 97 99.260 2.421 1.006 0.779 0.938 0.677 CB 1.741 97 residues pruned to eliminate duplicates Z: 88 104.433 2.419 1.061 0.779 0.977 0.759 CB 1.798 88 residues pruned to eliminate duplicates Z: 124 98.636 2.387 0.794 0.786 0.943 0.699 CB 1.712 124 residues pruned to eliminate duplicates Z: 164 119.860 2.430 0.844 0.771 0.945 0.755 CB 1.745 165 residues pruned to eliminate duplicates Z: 7 16.874 2.096 0.603 0.707 1.000 0.833 CB 1.699 7 residues pruned to eliminate duplicates Z: 97 99.758 2.467 0.901 0.765 0.979 0.656 CB 1.753 97 residues pruned to eliminate duplicates Z: 26 45.285 2.433 0.937 0.779 0.880 0.600 CB 1.708 26 residues pruned to eliminate duplicates Z: 93 83.641 2.442 0.714 0.793 0.935 0.783 CB 1.724 93 residues pruned to eliminate duplicates Z: 24 46.233 2.398 1.018 0.813 0.913 0.696 CB 1.662 24 residues pruned to eliminate duplicates Z: 95 80.585 2.412 0.747 0.785 0.926 0.723 CB 1.658 94 residues pruned to eliminate duplicates Z: 23 56.712 2.435 1.075 0.918 0.955 0.727 CB 1.768 23 residues pruned to eliminate duplicates Z: 95 84.718 2.426 0.790 0.766 0.926 0.755 CB 1.718 95 residues pruned to eliminate duplicates Z: 8 7.850 1.990 0.345 0.544 0.714 0.571 CB 1.486 8 residues pruned to eliminate duplicates Z: 74 68.189 2.392 0.650 0.760 0.945 0.781 CB 1.698 74 residues pruned to eliminate duplicates Z: 93 86.067 2.448 0.742 0.781 0.957 0.804 CB 1.716 93 residues pruned to eliminate duplicates Z: 90 80.770 2.424 0.739 0.758 0.944 0.730 CB 1.710 90 residues pruned to eliminate duplicates Z: 50 63.845 2.536 0.852 0.740 0.898 0.714 CB 1.744 50 residues pruned to eliminate duplicates Z: 93 82.195 2.447 0.700 0.787 0.935 0.793 CB 1.712 93 residues pruned to eliminate duplicates Z: 94 78.906 2.427 0.677 0.780 0.914 0.763 CB 1.718 94 residues pruned to eliminate duplicates Z: 93 83.280 2.450 0.687 0.790 0.946 0.815 CB 1.722 93 residues pruned to eliminate duplicates Z: 92 76.330 2.412 0.685 0.757 0.912 0.791 CB 1.717 92 residues pruned to eliminate duplicates Z: 95 78.316 2.386 0.709 0.769 0.947 0.819 CB 1.648 95 residues pruned to eliminate duplicates Z: 52 62.473 2.507 0.882 0.726 0.902 0.745 CB 1.677 52 residues pruned to eliminate duplicates Z: 73 71.509 2.437 0.898 0.694 0.931 0.667 CB 1.639 73 residues pruned to eliminate duplicates Z: 90 79.895 2.422 0.711 0.771 0.944 0.775 CB 1.703 90 residues pruned to eliminate duplicates Z: 54 55.153 2.450 0.805 0.690 0.849 0.698 CB 1.695 54 residues pruned to eliminate duplicates Z: 96 80.196 2.421 0.716 0.761 0.926 0.758 CB 1.696 96 residues pruned to eliminate duplicates Z: 95 82.143 2.430 0.777 0.762 0.915 0.734 CB 1.699 95 residues pruned to eliminate duplicates Z: 51 66.004 2.538 0.873 0.717 0.920 0.700 CB 1.754 51 residues pruned to eliminate duplicates Z: 49 62.870 2.549 0.864 0.748 0.896 0.729 CB 1.708 49 residues pruned to eliminate duplicates Z: 49 66.895 2.548 0.914 0.752 0.938 0.646 CB 1.686 49 residues pruned to eliminate duplicates Z: 72 73.010 2.424 0.666 0.780 0.958 0.817 CB 1.751 72 residues pruned to eliminate duplicates Z: 93 89.848 2.450 0.827 0.780 0.946 0.750 CB 1.729 93 residues pruned to eliminate duplicates Z: 31 37.411 2.493 0.716 0.620 0.833 0.633 CB 1.710 31 residues pruned to eliminate duplicates Z: 50 66.619 2.535 0.891 0.734 0.939 0.735 CB 1.714 50 residues pruned to eliminate duplicates Z: 95 81.650 2.429 0.702 0.769 0.926 0.766 CB 1.735 95 residues pruned to eliminate duplicates Z: 94 90.648 2.425 0.839 0.759 0.957 0.774 CB 1.749 94 residues pruned to eliminate duplicates Z: 91 78.010 2.404 0.655 0.765 0.956 0.778 CB 1.710 91 residues pruned to eliminate duplicates Z: 17 24.954 2.133 0.620 0.700 0.875 0.625 CB 1.719 17 residues pruned to eliminate duplicates Z: 50 51.804 2.278 0.586 0.765 0.939 0.816 CB 1.726 50 residues pruned to eliminate duplicates Z: 48 51.012 2.289 0.555 0.791 0.936 0.872 CB 1.730 48 residues pruned to eliminate duplicates Z: 94 88.910 2.443 0.791 0.779 0.957 0.742 CB 1.722 94 residues pruned to eliminate duplicates Z: 93 88.065 2.447 0.757 0.795 0.957 0.772 CB 1.724 93 residues pruned to eliminate duplicates Z: 45 58.545 2.361 0.614 0.834 0.977 0.864 CB 1.776 45 residues pruned to eliminate duplicates Z: 46 52.411 2.304 0.525 0.835 0.978 0.867 CB 1.703 46 residues pruned to eliminate duplicates Z: 93 85.641 2.418 0.798 0.793 0.957 0.783 CB 1.660 93 residues pruned to eliminate duplicates Z: 92 92.144 2.423 0.935 0.794 0.956 0.714 CB 1.665 92 residues pruned to eliminate duplicates Z: 95 90.080 2.424 0.892 0.771 0.936 0.734 CB 1.703 95 residues pruned to eliminate duplicates Z: 46 57.999 2.316 0.751 0.807 0.933 0.733 CB 1.749 46 residues pruned to eliminate duplicates Z: 47 49.180 2.277 0.576 0.828 0.935 0.870 CB 1.627 47 residues pruned to eliminate duplicates Z: 6 4.932 1.347 0.568 0.459 1.000 0.800 C 1.088 Z: 33 46.828 2.253 0.554 0.866 1.000 0.938 CB 1.731 39 residues pruned to eliminate duplicates Z: 96 89.293 2.388 0.883 0.779 0.958 0.768 CB 1.663 96 residues pruned to eliminate duplicates Z: 98 91.832 2.405 0.874 0.787 0.959 0.773 CB 1.677 98 residues pruned to eliminate duplicates Z: 92 85.390 2.412 0.780 0.795 0.956 0.714 CB 1.684 92 residues pruned to eliminate duplicates Z: 34 44.835 2.246 0.529 0.871 1.000 0.848 CB 1.658 34 residues pruned to eliminate duplicates Z: 33 48.231 2.277 0.634 0.855 1.000 0.781 CB 1.690 33 residues pruned to eliminate duplicates Z: 95 92.002 2.410 0.975 0.782 0.936 0.798 CB 1.661 95 residues pruned to eliminate duplicates Z: 47 66.340 2.297 0.957 0.813 0.957 0.804 CB 1.733 47 residues pruned to eliminate duplicates Z: 29 60.698 2.357 0.875 0.945 1.000 0.750 CB 1.796 29 residues pruned to eliminate duplicates Z: 93 96.717 2.458 0.908 0.788 0.967 0.793 CB 1.725 94 residues pruned to eliminate duplicates Z: 25 61.901 2.431 0.923 0.943 0.958 0.958 CB 1.956 25 residues pruned to eliminate duplicates Z: 94 96.262 2.440 0.995 0.789 0.946 0.753 CB 1.680 94 residues pruned to eliminate duplicates Z: 33 57.999 2.266 1.072 0.844 0.969 0.844 CB 1.677 32 residues pruned to eliminate duplicates Z: 30 64.084 2.320 1.038 0.952 0.966 0.793 CB 1.795 30 residues pruned to eliminate duplicates Z: 45 76.846 2.351 1.166 0.842 0.977 0.705 CB 1.734 46 residues pruned to eliminate duplicates Z: 30 69.895 2.342 1.187 0.942 0.966 0.862 CB 1.821 29 residues pruned to eliminate duplicates Z: 29 64.131 2.361 1.039 0.950 0.964 0.750 CB 1.801 29 residues pruned to eliminate duplicates Z: 90 96.749 2.452 0.963 0.811 0.933 0.775 CB 1.742 90 residues pruned to eliminate duplicates Z: 30 68.723 2.326 1.125 0.936 1.000 0.655 CB 1.798 30 residues pruned to eliminate duplicates Z: 29 73.610 2.375 1.200 0.961 1.000 0.821 CB 1.823 29 residues pruned to eliminate duplicates Z: 94 98.840 2.435 1.079 0.783 0.946 0.656 CB 1.667 95 residues pruned to eliminate duplicates Z: 30 69.104 2.347 1.200 0.944 0.966 0.690 CB 1.782 30 residues pruned to eliminate duplicates Z: 32 72.665 2.354 1.291 0.879 1.000 0.806 CB 1.754 31 residues pruned to eliminate duplicates Z: 29 74.549 2.383 1.231 0.954 1.000 0.786 CB 1.823 29 residues pruned to eliminate duplicates Z: 52 63.699 2.214 1.135 0.774 0.941 0.686 CB 1.573 52 residues pruned to eliminate duplicates Z: 29 75.446 2.398 1.203 0.964 1.000 0.857 CB 1.843 29 residues pruned to eliminate duplicates Z: 47 70.712 2.305 1.174 0.815 0.957 0.696 CB 1.655 47 residues pruned to eliminate duplicates Z: 94 96.333 2.410 1.038 0.791 0.946 0.677 CB 1.665 94 residues pruned to eliminate duplicates Z: 52 54.807 2.485 0.810 0.712 0.843 0.725 CB 1.670 52 residues pruned to eliminate duplicates Z: 50 60.701 2.523 0.750 0.743 0.918 0.673 CB 1.721 50 residues pruned to eliminate duplicates Z: 95 81.025 2.430 0.675 0.772 0.936 0.755 CB 1.723 95 residues pruned to eliminate duplicates Z: 95 84.392 2.426 0.775 0.780 0.957 0.755 CB 1.650 95 residues pruned to eliminate duplicates Z: 52 58.117 2.503 0.686 0.722 0.902 0.765 CB 1.750 52 residues pruned to eliminate duplicates Z: 52 54.730 2.448 0.637 0.723 0.922 0.725 CB 1.696 52 residues pruned to eliminate duplicates Z: 50 60.103 2.505 0.802 0.741 0.918 0.714 CB 1.670 50 residues pruned to eliminate duplicates Z: 94 81.626 2.437 0.631 0.787 0.957 0.785 CB 1.728 94 residues pruned to eliminate duplicates Z: 53 52.757 2.483 0.639 0.696 0.885 0.654 CB 1.700 53 residues pruned to eliminate duplicates Z: 94 79.871 2.425 0.719 0.773 0.914 0.742 CB 1.708 94 residues pruned to eliminate duplicates Z: 94 83.314 2.434 0.761 0.783 0.925 0.806 CB 1.699 94 residues pruned to eliminate duplicates Z: 94 79.184 2.434 0.592 0.777 0.968 0.785 CB 1.716 94 residues pruned to eliminate duplicates Z: 15 25.437 2.402 0.571 0.627 0.929 0.786 CB 1.722 Z: 12 34.795 2.381 0.582 0.893 1.000 0.818 CA 2.001 15 residues pruned to eliminate duplicates 180 residues left after pruning, divided into chains as follows: A: 168 B: 12 CC for partial structure against native data = 40.62 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 3 used as input for final density modification = 0.300, Contrast = 0.596, Connect. = 0.761 for dens.mod. cycle 1 = 0.300, Contrast = 0.677, Connect. = 0.790 for dens.mod. cycle 2 = 0.300, Contrast = 0.818, Connect. = 0.819 for dens.mod. cycle 3 = 0.300, Contrast = 0.832, Connect. = 0.822 for dens.mod. cycle 4 = 0.300, Contrast = 0.847, Connect. = 0.824 for dens.mod. cycle 5 = 0.300, Contrast = 0.854, Connect. = 0.826 for dens.mod. cycle 6 = 0.300, Contrast = 0.861, Connect. = 0.827 for dens.mod. cycle 7 = 0.300, Contrast = 0.864, Connect. = 0.829 for dens.mod. cycle 8 TimeTaking 120.93