++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 14:43:02 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2hyt-1.8-parrot-hancs/2hyt-1.8-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2hyt-1.8-parrot-hancs/2hyt-1.8-parrot-hancs.ins Phases from ./2hyt-1.8-parrot-hancs/2hyt-1.8-parrot-hancs.phi Native data from ./2hyt-1.8-parrot-hancs/2hyt-1.8-parrot-hancs.hkl Listing output to ./2hyt-1.8-parrot-hancs/2hyt-1.8-parrot-hancs.lst Phases output to ./2hyt-1.8-parrot-hancs/2hyt-1.8-parrot-hancs.phs Poly-Ala trace output to ./2hyt-1.8-parrot-hancs/2hyt-1.8-parrot-hancs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 3 2 1 Allowed origin shift code: 10 20953 Reflections read from file ./2hyt-1.8-parrot-hancs/2hyt-1.8-parrot-hancs.phi 20953 Reflections read from file ./2hyt-1.8-parrot-hancs/2hyt-1.8-parrot-hancs.hkl 20953 Unique data, highest resolution = 1.800 Angstroms Anisotropic scaling: intensities multiplied by 0.000012h^2 +0.000012k^2 +0.000027l^2 +0.000000kl +0.000000hl +0.000012hk 14 Reflections with d > 2.000 and 0 in range 2.000 > d > 1.800 added Density sharpening factor set to 1.05 Fourier grid = 256 x 256 x 48 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.737 = 0.300, Contrast = 0.444, Connect. = 0.782 for dens.mod. cycle 1 = 0.300, Contrast = 0.527, Connect. = 0.794 for dens.mod. cycle 2 = 0.300, Contrast = 0.607, Connect. = 0.809 for dens.mod. cycle 3 = 0.300, Contrast = 0.625, Connect. = 0.813 for dens.mod. cycle 4 = 0.300, Contrast = 0.635, Connect. = 0.816 for dens.mod. cycle 5 = 0.300, Contrast = 0.640, Connect. = 0.817 for dens.mod. cycle 6 = 0.300, Contrast = 0.644, Connect. = 0.818 for dens.mod. cycle 7 = 0.300, Contrast = 0.646, Connect. = 0.819 for dens.mod. cycle 8 = 0.300, Contrast = 0.648, Connect. = 0.819 for dens.mod. cycle 9 = 0.300, Contrast = 0.649, Connect. = 0.820 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1133 peaks > 0.5 sigma used to seed fragment search Space for about 244 unique residues taking solvent into account 226 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 29 41.407 2.218 0.803 0.918 0.964 0.929 CB 1.431 B: 23 53.550 2.191 1.470 0.955 0.955 0.909 CB 1.519 C: 23 51.354 2.174 1.275 0.935 1.000 0.682 CB 1.542 23 residues pruned to eliminate duplicates D: 22 50.969 2.264 1.099 0.952 1.000 0.762 CB 1.612 22 residues pruned to eliminate duplicates E: 21 30.663 2.141 0.888 0.940 1.000 0.700 CB 1.178 F: 23 50.530 2.195 1.163 0.941 1.000 0.909 CB 1.575 22 residues pruned to eliminate duplicates G: 20 39.884 2.233 1.278 0.891 0.947 0.579 CB 1.365 H: 21 40.878 2.155 1.221 0.910 1.000 0.700 CB 1.355 20 residues pruned to eliminate duplicates I: 28 56.508 2.288 1.203 0.964 1.000 0.778 CB 1.474 29 residues pruned to eliminate duplicates J: 24 41.252 2.027 1.093 0.957 1.000 0.783 CB 1.392 K: 28 52.667 2.272 0.982 0.956 1.000 0.815 CB 1.546 28 residues pruned to eliminate duplicates L: 23 46.326 2.116 1.221 0.964 1.000 0.909 CB 1.435 24 residues pruned to eliminate duplicates M: 27 54.202 2.296 1.039 0.959 1.000 0.885 CB 1.556 28 residues pruned to eliminate duplicates N: 28 47.161 2.275 0.790 0.946 1.000 0.926 CB 1.541 28 residues pruned to eliminate duplicates O: 31 33.581 2.096 0.531 0.866 1.000 0.867 CB 1.399 31 residues pruned to eliminate duplicates P: 12 25.361 2.029 0.836 0.911 1.000 1.000 CB 1.454 Q: 11 30.080 2.235 1.165 0.869 0.900 0.700 CB 1.596 R: 9 22.235 2.049 1.099 0.757 1.000 0.750 CB 1.453 S: 28 46.256 2.278 0.800 0.950 1.000 0.852 CB 1.498 28 residues pruned to eliminate duplicates T: 24 39.690 2.041 1.091 0.946 0.957 0.783 CB 1.402 24 residues pruned to eliminate duplicates U: 10 24.874 2.196 1.113 0.889 0.889 0.667 CB 1.447 V: 28 41.470 2.250 0.593 0.954 1.000 0.852 CB 1.531 28 residues pruned to eliminate duplicates W: 28 50.091 2.279 0.987 0.950 1.000 0.519 CB 1.468 28 residues pruned to eliminate duplicates X: 11 39.773 2.365 1.139 0.935 1.000 0.700 CA 1.733 11 residues pruned to eliminate duplicates Y: 9 15.108 1.973 1.227 0.579 0.875 0.625 CA 1.288 9 residues pruned to eliminate duplicates Z: 23 47.786 2.239 1.092 0.944 1.000 0.727 CB 1.506 23 residues pruned to eliminate duplicates Z: 22 55.896 2.239 1.374 0.957 1.000 0.714 CB 1.575 23 residues pruned to eliminate duplicates Z: 11 19.512 1.962 0.622 0.796 1.000 0.500 CB 1.496 Z: 22 45.583 2.123 1.195 0.965 1.000 0.857 CB 1.457 22 residues pruned to eliminate duplicates Z: 22 52.145 2.234 1.217 0.947 1.000 0.762 CB 1.587 22 residues pruned to eliminate duplicates Z: 20 41.381 2.217 1.187 0.945 1.000 0.789 CB 1.355 21 residues pruned to eliminate duplicates Z: 8 15.373 2.167 0.792 0.740 0.857 0.714 CA 1.408 8 residues pruned to eliminate duplicates Z: 10 25.606 2.164 1.028 0.842 1.000 0.778 CB 1.449 11 residues pruned to eliminate duplicates Z: 22 48.618 2.234 1.082 0.944 1.000 0.857 CB 1.579 22 residues pruned to eliminate duplicates Z: 11 43.915 2.383 1.304 0.928 1.000 0.900 CB 1.772 11 residues pruned to eliminate duplicates Z: 56 59.842 2.242 1.160 0.709 0.945 0.800 CB 1.458 47 residues pruned to eliminate duplicates Z: 23 45.181 2.123 1.177 0.962 1.000 0.864 CB 1.425 23 residues pruned to eliminate duplicates Z: 29 50.217 2.228 1.160 0.923 1.000 0.714 CB 1.386 29 residues pruned to eliminate duplicates Z: 28 54.558 2.302 1.084 0.950 1.000 0.889 CB 1.510 28 residues pruned to eliminate duplicates Z: 22 50.001 2.262 1.162 0.953 1.000 0.619 CB 1.535 22 residues pruned to eliminate duplicates Z: 28 56.838 2.285 1.214 0.951 1.000 0.667 CB 1.490 28 residues pruned to eliminate duplicates Z: 22 63.763 2.298 1.507 0.962 1.000 0.810 CB 1.653 22 residues pruned to eliminate duplicates Z: 15 20.025 1.916 0.663 0.798 0.857 0.571 CA 1.510 11 residues pruned to eliminate duplicates Z: 8 18.628 1.898 0.980 0.875 0.857 0.571 CA 1.589 7 residues pruned to eliminate duplicates Z: 9 24.077 2.072 1.002 0.918 1.000 1.000 CA 1.448 9 residues pruned to eliminate duplicates Z: 29 51.344 2.268 0.975 0.929 1.000 0.786 CB 1.516 28 residues pruned to eliminate duplicates Z: 29 56.235 2.222 1.419 0.908 1.000 0.750 CB 1.404 30 residues pruned to eliminate duplicates Z: 22 59.731 2.280 1.453 0.961 1.000 0.762 CB 1.596 22 residues pruned to eliminate duplicates Z: 22 48.701 2.251 1.004 0.946 1.000 0.857 CB 1.628 22 residues pruned to eliminate duplicates Z: 10 25.453 2.170 1.073 0.875 1.000 0.778 CB 1.371 10 residues pruned to eliminate duplicates Z: 9 6.047 1.729 -0.021 0.789 0.750 0.375 CB 1.305 9 residues pruned to eliminate duplicates Z: 10 26.102 2.330 0.668 0.913 1.000 0.889 CB 1.585 10 residues pruned to eliminate duplicates Z: 19 38.905 2.249 1.248 0.934 0.944 0.778 CB 1.339 19 residues pruned to eliminate duplicates Z: 27 59.939 2.275 1.309 0.957 1.000 0.615 CB 1.536 27 residues pruned to eliminate duplicates Z: 20 29.597 2.173 0.977 0.948 1.000 0.789 CB 1.092 20 residues pruned to eliminate duplicates Z: 11 22.470 2.042 0.773 0.827 1.000 0.600 CB 1.479 11 residues pruned to eliminate duplicates Z: 9 13.807 1.725 0.990 0.847 0.750 0.500 CA 1.408 9 residues pruned to eliminate duplicates Z: 22 45.463 2.235 1.115 0.954 1.000 0.857 CB 1.444 22 residues pruned to eliminate duplicates Z: 21 40.715 2.146 0.982 0.963 1.000 0.800 CB 1.463 21 residues pruned to eliminate duplicates Z: 19 33.873 2.158 0.896 0.936 0.944 0.778 CB 1.439 19 residues pruned to eliminate duplicates Z: 24 40.535 2.013 1.095 0.955 1.000 0.913 CB 1.377 24 residues pruned to eliminate duplicates Z: 28 58.660 2.283 1.289 0.955 1.000 0.741 CB 1.485 28 residues pruned to eliminate duplicates Z: 10 16.810 1.791 0.804 0.875 1.000 0.778 CB 1.261 9 residues pruned to eliminate duplicates Z: 27 53.708 2.286 1.109 0.960 1.000 0.769 CB 1.496 27 residues pruned to eliminate duplicates Z: 12 23.954 2.151 0.863 0.918 1.000 1.000 CB 1.271 12 residues pruned to eliminate duplicates Z: 9 26.717 2.303 0.828 0.896 1.000 0.875 CB 1.608 9 residues pruned to eliminate duplicates Z: 10 20.808 2.192 0.871 0.841 0.889 0.778 CB 1.419 10 residues pruned to eliminate duplicates Z: 28 53.477 2.300 1.122 0.961 0.963 0.815 CB 1.500 28 residues pruned to eliminate duplicates Z: 29 54.794 2.213 1.317 0.929 1.000 0.750 CB 1.413 29 residues pruned to eliminate duplicates Z: 9 21.587 1.987 0.917 0.861 1.000 0.750 CB 1.472 9 residues pruned to eliminate duplicates Z: 22 43.023 2.227 0.850 0.938 1.000 0.857 CB 1.584 22 residues pruned to eliminate duplicates Z: 15 12.961 1.963 0.480 0.766 0.786 0.429 CB 1.198 15 residues pruned to eliminate duplicates Z: 22 38.649 2.086 0.895 0.961 1.000 0.952 CB 1.460 21 residues pruned to eliminate duplicates Z: 20 39.678 2.233 1.048 0.930 1.000 0.789 CB 1.392 20 residues pruned to eliminate duplicates Z: 21 36.272 2.208 1.130 0.933 0.950 0.700 CB 1.267 21 residues pruned to eliminate duplicates Z: 21 24.806 2.116 0.692 0.924 0.950 0.700 CB 1.145 21 residues pruned to eliminate duplicates Z: 19 40.917 2.257 1.238 0.949 1.000 0.611 CB 1.318 19 residues pruned to eliminate duplicates Z: 20 36.181 2.215 1.175 0.890 0.947 0.421 CB 1.309 20 residues pruned to eliminate duplicates Z: 7 16.326 2.032 1.317 0.886 1.000 0.833 CA 1.021 7 residues pruned to eliminate duplicates Z: 24 40.438 2.124 0.807 0.924 1.000 0.913 CB 1.542 24 residues pruned to eliminate duplicates Z: 28 58.638 2.289 1.273 0.960 1.000 0.593 CB 1.486 28 residues pruned to eliminate duplicates Z: 43 55.075 2.261 1.267 0.710 0.905 0.571 CB 1.515 38 residues pruned to eliminate duplicates Z: 26 27.621 1.986 0.920 0.814 0.960 0.760 CB 1.149 23 residues pruned to eliminate duplicates Z: 9 21.265 2.051 0.845 0.900 1.000 0.875 CA 1.419 9 residues pruned to eliminate duplicates Z: 8 7.433 1.667 0.604 0.760 0.714 0.429 CA 1.167 8 residues pruned to eliminate duplicates Z: 154 97.176 2.233 1.076 0.735 0.928 0.673 CB 1.479 154 residues pruned to eliminate duplicates Z: 8 11.688 1.807 0.925 0.684 0.857 0.429 CA 1.252 8 residues pruned to eliminate duplicates Z: 29 46.304 2.208 0.896 0.921 1.000 0.929 CB 1.471 29 residues pruned to eliminate duplicates Z: 22 47.469 2.121 1.257 0.958 1.000 0.810 CB 1.484 23 residues pruned to eliminate duplicates Z: 22 49.884 2.252 1.210 0.960 1.000 0.762 CB 1.498 22 residues pruned to eliminate duplicates Z: 9 13.458 2.070 0.451 0.860 0.875 0.500 CB 1.330 9 residues pruned to eliminate duplicates Z: 27 49.431 2.299 0.976 0.956 1.000 0.769 CB 1.466 27 residues pruned to eliminate duplicates Z: 102 76.692 2.178 1.130 0.747 0.931 0.634 CB 1.417 102 residues pruned to eliminate duplicates Z: 22 39.484 2.108 0.935 0.951 1.000 0.857 CB 1.456 22 residues pruned to eliminate duplicates Z: 24 35.339 2.019 0.878 0.958 1.000 0.870 CB 1.333 24 residues pruned to eliminate duplicates Z: 20 41.313 2.245 1.155 0.945 1.000 0.842 CB 1.356 20 residues pruned to eliminate duplicates Z: 22 34.957 2.100 0.683 0.960 1.000 0.952 CB 1.478 22 residues pruned to eliminate duplicates Z: 22 46.041 2.126 1.168 0.965 1.000 0.857 CB 1.488 22 residues pruned to eliminate duplicates Z: 22 43.368 2.136 1.045 0.962 1.000 1.000 CB 1.481 22 residues pruned to eliminate duplicates Z: 20 42.061 2.234 1.240 0.926 1.000 0.737 CB 1.352 20 residues pruned to eliminate duplicates Z: 20 30.454 2.189 1.006 0.947 1.000 0.842 CB 1.099 20 residues pruned to eliminate duplicates Z: 22 44.419 2.253 0.842 0.946 1.000 1.000 CB 1.615 22 residues pruned to eliminate duplicates Z: 28 54.997 2.290 1.120 0.961 1.000 0.889 CB 1.492 28 residues pruned to eliminate duplicates Z: 28 35.088 2.087 0.702 0.767 0.963 0.815 CB 1.558 28 residues pruned to eliminate duplicates Z: 23 29.973 2.066 0.510 0.955 1.000 0.955 CB 1.408 23 residues pruned to eliminate duplicates Z: 22 37.522 2.228 0.606 0.942 1.000 0.905 CB 1.587 22 residues pruned to eliminate duplicates Z: 21 31.423 2.117 1.084 0.951 1.000 0.750 CB 1.098 22 residues pruned to eliminate duplicates Z: 20 27.424 2.106 0.890 0.952 1.000 0.895 CB 1.088 20 residues pruned to eliminate duplicates Z: 23 44.176 2.206 1.035 0.956 1.000 0.773 CB 1.441 23 residues pruned to eliminate duplicates Z: 20 36.944 2.215 1.110 0.918 1.000 0.579 CB 1.280 20 residues pruned to eliminate duplicates Z: 10 22.711 1.885 0.891 0.858 1.000 0.444 CA 1.565 10 residues pruned to eliminate duplicates Z: 19 24.997 2.178 0.886 0.942 0.944 0.889 CB 1.053 19 residues pruned to eliminate duplicates Z: 22 33.750 2.072 0.680 0.946 1.000 1.000 CB 1.463 22 residues pruned to eliminate duplicates Z: 23 41.901 2.144 1.041 0.940 0.955 0.909 CA 1.485 23 residues pruned to eliminate duplicates Z: 23 28.104 1.979 0.983 0.925 1.000 0.500 CB 1.071 23 residues pruned to eliminate duplicates Z: 23 39.283 2.112 0.913 0.959 1.000 0.955 CB 1.421 23 residues pruned to eliminate duplicates Z: 32 49.282 2.170 1.280 0.754 0.903 0.613 CB 1.580 32 residues pruned to eliminate duplicates Z: 21 52.418 2.268 1.314 0.956 1.000 0.900 CB 1.533 21 residues pruned to eliminate duplicates Z: 24 32.826 2.025 0.766 0.937 0.957 0.870 CB 1.393 24 residues pruned to eliminate duplicates Z: 19 27.733 2.179 1.026 0.942 1.000 0.778 CB 1.027 19 residues pruned to eliminate duplicates Z: 10 25.334 2.131 1.036 0.830 1.000 0.556 CB 1.464 10 residues pruned to eliminate duplicates Z: 29 53.713 2.283 1.280 0.811 0.964 0.679 CB 1.543 29 residues pruned to eliminate duplicates Z: 9 19.791 1.844 0.922 0.819 1.000 0.625 CB 1.496 9 residues pruned to eliminate duplicates Z: 7 10.737 1.964 0.496 0.854 0.833 0.667 CB 1.322 7 residues pruned to eliminate duplicates Z: 17 28.684 2.185 1.036 0.608 1.000 0.562 CB 1.455 17 residues pruned to eliminate duplicates Z: 22 28.439 2.068 0.902 0.945 1.000 0.952 CB 1.092 22 residues pruned to eliminate duplicates Z: 17 23.767 1.904 0.868 0.717 1.000 0.750 CB 1.372 17 residues pruned to eliminate duplicates Z: 20 29.144 2.164 0.979 0.919 0.947 0.789 CB 1.161 20 residues pruned to eliminate duplicates Z: 23 35.118 2.083 0.718 0.956 1.000 1.000 CB 1.437 23 residues pruned to eliminate duplicates Z: 28 52.895 2.300 1.011 0.943 1.000 0.889 CB 1.525 28 residues pruned to eliminate duplicates Z: 34 42.555 2.103 1.156 0.718 0.939 0.667 CB 1.428 34 residues pruned to eliminate duplicates Z: 24 31.709 1.968 0.756 0.950 1.000 0.826 CB 1.319 24 residues pruned to eliminate duplicates Z: 20 35.509 2.232 0.930 0.890 1.000 0.842 CB 1.361 20 residues pruned to eliminate duplicates Z: 24 48.737 2.191 1.353 0.868 0.957 0.826 CB 1.506 24 residues pruned to eliminate duplicates Z: 11 9.168 1.755 0.466 0.515 1.000 0.600 CB 1.111 11 residues pruned to eliminate duplicates Z: 24 54.581 2.331 1.266 0.953 1.000 0.826 CB 1.483 24 residues pruned to eliminate duplicates Z: 30 48.534 2.243 1.334 0.785 0.931 0.483 CB 1.439 30 residues pruned to eliminate duplicates Z: 6 9.691 1.927 0.717 0.809 0.600 0.200 CB 1.668 6 residues pruned to eliminate duplicates Z: 53 53.548 2.190 1.090 0.674 0.923 0.654 CB 1.498 53 residues pruned to eliminate duplicates Z: 22 25.831 2.067 0.767 0.952 0.952 0.905 CB 1.116 22 residues pruned to eliminate duplicates Z: 23 40.260 2.173 0.866 0.903 0.955 0.909 CA 1.581 23 residues pruned to eliminate duplicates Z: 21 46.569 2.232 1.210 0.856 1.000 0.950 CB 1.557 21 residues pruned to eliminate duplicates Z: 30 48.928 2.145 1.373 0.901 0.966 0.310 CB 1.319 30 residues pruned to eliminate duplicates Z: 14 33.773 2.127 0.926 0.894 1.000 0.769 CB 1.640 14 residues pruned to eliminate duplicates Z: 21 29.178 2.122 0.878 0.948 1.000 0.950 CB 1.131 21 residues pruned to eliminate duplicates Z: 23 33.529 2.089 0.997 0.892 0.909 0.773 CB 1.354 23 residues pruned to eliminate duplicates Z: 89 69.970 2.139 1.174 0.743 0.943 0.602 CB 1.368 89 residues pruned to eliminate duplicates Z: 21 23.205 2.052 0.847 0.931 0.950 0.550 CB 1.007 21 residues pruned to eliminate duplicates Z: 8 24.798 2.149 1.008 0.880 1.000 1.000 CB 1.574 8 residues pruned to eliminate duplicates Z: 8 5.320 1.519 0.290 0.805 0.714 0.429 C 1.101 8 residues pruned to eliminate duplicates Z: 9 25.711 2.223 0.972 0.831 1.000 0.875 CB 1.557 9 residues pruned to eliminate duplicates Z: 24 35.533 2.145 1.172 0.737 1.000 0.783 CB 1.286 24 residues pruned to eliminate duplicates Z: 23 35.616 2.065 0.844 0.941 1.000 0.727 CB 1.384 23 residues pruned to eliminate duplicates Z: 10 13.417 1.819 0.616 0.794 0.778 0.556 CA 1.512 10 residues pruned to eliminate duplicates Z: 28 57.109 2.286 1.305 0.969 0.963 0.778 CB 1.474 28 residues pruned to eliminate duplicates Z: 76 64.050 2.185 1.044 0.690 0.947 0.627 CB 1.469 76 residues pruned to eliminate duplicates Z: 10 6.736 1.469 0.267 0.596 1.000 0.667 CB 1.101 10 residues pruned to eliminate duplicates Z: 21 38.205 2.173 1.107 0.896 1.000 0.600 CB 1.336 21 residues pruned to eliminate duplicates Z: 52 44.993 2.089 1.126 0.600 0.882 0.549 CB 1.461 52 residues pruned to eliminate duplicates Z: 11 18.906 1.969 0.660 0.898 1.000 1.000 CB 1.308 11 residues pruned to eliminate duplicates Z: 35 43.930 2.067 1.176 0.761 0.971 0.676 CB 1.368 35 residues pruned to eliminate duplicates Z: 46 47.710 2.191 1.175 0.609 0.911 0.644 CB 1.476 46 residues pruned to eliminate duplicates Z: 29 44.408 2.218 0.814 0.930 1.000 0.929 CB 1.458 29 residues pruned to eliminate duplicates Z: 56 61.055 2.221 0.994 0.828 0.964 0.782 CB 1.453 56 residues pruned to eliminate duplicates Z: 27 34.254 2.056 1.269 0.606 0.923 0.808 CB 1.410 27 residues pruned to eliminate duplicates Z: 23 32.804 2.085 0.577 0.960 1.000 1.000 CB 1.457 23 residues pruned to eliminate duplicates Z: 23 40.557 2.119 0.963 0.960 1.000 1.000 CB 1.425 23 residues pruned to eliminate duplicates Z: 28 60.671 2.249 1.459 0.948 1.000 0.741 CB 1.458 28 residues pruned to eliminate duplicates Z: 22 36.936 2.252 1.057 0.716 0.952 0.714 CB 1.502 22 residues pruned to eliminate duplicates Z: 31 34.735 2.082 0.849 0.726 0.933 0.800 CB 1.440 31 residues pruned to eliminate duplicates Z: 6 5.719 1.701 0.582 0.673 0.800 0.600 CB 1.013 6 residues pruned to eliminate duplicates Z: 20 36.650 2.181 1.209 0.944 1.000 0.632 CB 1.209 20 residues pruned to eliminate duplicates Z: 34 46.798 2.248 1.134 0.717 0.939 0.636 CB 1.485 34 residues pruned to eliminate duplicates Z: 17 28.526 2.212 0.968 0.692 1.000 0.500 CB 1.375 17 residues pruned to eliminate duplicates Z: 21 28.283 2.124 0.854 0.886 0.950 0.700 CB 1.220 21 residues pruned to eliminate duplicates Z: 7 14.936 2.186 0.764 0.544 1.000 0.833 CB 1.515 7 residues pruned to eliminate duplicates Z: 28 48.817 2.256 0.881 0.947 1.000 0.778 CB 1.530 28 residues pruned to eliminate duplicates Z: 61 55.615 2.164 0.980 0.716 0.967 0.700 CB 1.426 61 residues pruned to eliminate duplicates Z: 23 26.060 2.007 0.776 0.941 1.000 0.818 CB 1.082 23 residues pruned to eliminate duplicates Z: 44 51.614 2.176 1.127 0.693 0.907 0.465 CB 1.571 44 residues pruned to eliminate duplicates Z: 14 12.928 1.679 0.681 0.705 1.000 0.923 CB 1.054 14 residues pruned to eliminate duplicates 186 residues left after pruning, divided into chains as follows: A: 21 B: 165 CC for partial structure against native data = 48.14 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.466, Connect. = 0.773 for dens.mod. cycle 1 = 0.300, Contrast = 0.532, Connect. = 0.795 for dens.mod. cycle 2 = 0.300, Contrast = 0.626, Connect. = 0.813 for dens.mod. cycle 3 = 0.300, Contrast = 0.632, Connect. = 0.814 for dens.mod. cycle 4 = 0.300, Contrast = 0.641, Connect. = 0.815 for dens.mod. cycle 5 = 0.300, Contrast = 0.644, Connect. = 0.816 for dens.mod. cycle 6 = 0.300, Contrast = 0.648, Connect. = 0.817 for dens.mod. cycle 7 = 0.300, Contrast = 0.649, Connect. = 0.818 for dens.mod. cycle 8 = 0.300, Contrast = 0.650, Connect. = 0.818 for dens.mod. cycle 9 = 0.300, Contrast = 0.650, Connect. = 0.819 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1217 peaks > 0.5 sigma used to seed fragment search Space for about 244 unique residues taking solvent into account 245 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 40.947 2.217 1.133 0.912 0.950 0.500 CB 1.443 B: 23 56.447 2.247 1.332 0.961 1.000 0.591 CB 1.572 C: 23 60.927 2.246 1.373 0.949 1.000 0.682 CB 1.682 23 residues pruned to eliminate duplicates D: 24 55.618 2.198 1.312 0.940 1.000 0.739 CB 1.585 24 residues pruned to eliminate duplicates E: 22 62.336 2.318 1.368 0.951 1.000 0.762 CB 1.708 22 residues pruned to eliminate duplicates F: 23 55.114 2.303 0.972 0.955 1.000 0.864 CA 1.778 23 residues pruned to eliminate duplicates G: 28 48.419 2.257 1.015 0.933 0.926 0.667 CB 1.544 H: 10 42.836 2.412 1.333 0.928 1.000 0.667 CA 1.777 I: 23 53.932 2.253 1.120 0.956 1.000 0.773 CB 1.654 23 residues pruned to eliminate duplicates J: 7 17.892 2.257 0.679 0.767 1.000 0.833 CB 1.521 K: 21 41.929 2.212 1.119 0.881 0.950 0.550 CB 1.525 21 residues pruned to eliminate duplicates L: 20 39.709 2.264 1.064 0.914 0.947 0.368 CB 1.455 20 residues pruned to eliminate duplicates M: 30 50.826 2.227 1.084 0.917 0.966 0.724 CB 1.487 30 residues pruned to eliminate duplicates N: 10 16.044 2.029 0.722 0.696 0.889 0.778 CA 1.440 7 residues pruned to eliminate duplicates O: 27 49.379 2.330 0.706 0.950 1.000 1.000 CB 1.679 27 residues pruned to eliminate duplicates P: 21 32.106 2.176 0.817 0.941 1.000 0.650 CB 1.260 Q: 28 50.279 2.317 0.804 0.953 0.963 0.852 CB 1.655 28 residues pruned to eliminate duplicates R: 29 36.920 2.231 0.430 0.894 1.000 0.857 CB 1.569 29 residues pruned to eliminate duplicates S: 83 75.332 2.234 1.019 0.720 0.939 0.695 CB 1.610 45 residues pruned to eliminate duplicates T: 10 9.602 1.978 0.353 0.703 0.778 0.667 CA 1.279 10 residues pruned to eliminate duplicates U: 21 34.791 2.160 0.706 0.876 1.000 0.750 CB 1.535 21 residues pruned to eliminate duplicates V: 23 56.213 2.246 1.407 0.943 0.955 0.682 CB 1.609 23 residues pruned to eliminate duplicates W: 12 34.865 2.314 1.262 0.888 0.909 0.727 CB 1.591 12 residues pruned to eliminate duplicates X: 28 50.321 2.333 0.722 0.952 1.000 0.963 CB 1.660 28 residues pruned to eliminate duplicates Y: 28 58.503 2.322 1.074 0.947 1.000 0.741 CB 1.615 28 residues pruned to eliminate duplicates Z: 23 59.014 2.256 1.454 0.947 0.955 0.682 CB 1.646 23 residues pruned to eliminate duplicates Z: 23 54.455 2.268 1.124 0.950 1.000 0.864 CB 1.663 23 residues pruned to eliminate duplicates Z: 9 28.862 2.413 0.772 0.861 1.000 0.750 CB 1.752 9 residues pruned to eliminate duplicates Z: 9 16.138 1.809 0.904 0.760 0.875 0.625 CA 1.502 Z: 10 18.517 1.758 0.987 0.842 0.889 0.667 O 1.482 Z: 12 22.960 2.042 0.802 0.901 0.909 0.818 CA 1.477 Z: 27 61.419 2.358 1.072 0.951 1.000 0.846 CB 1.698 27 residues pruned to eliminate duplicates Z: 11 33.037 2.277 1.354 0.882 0.900 0.600 CA 1.567 11 residues pruned to eliminate duplicates Z: 24 43.884 2.083 1.062 0.916 1.000 0.783 CB 1.504 24 residues pruned to eliminate duplicates Z: 23 48.753 2.169 1.182 0.968 1.000 0.818 CB 1.496 23 residues pruned to eliminate duplicates Z: 28 48.444 2.323 0.754 0.942 0.963 0.963 CB 1.647 28 residues pruned to eliminate duplicates Z: 22 52.451 2.278 1.065 0.913 1.000 0.952 CB 1.723 22 residues pruned to eliminate duplicates Z: 8 20.582 2.136 0.612 0.782 1.000 0.571 CA 1.762 9 residues pruned to eliminate duplicates Z: 21 26.159 2.185 0.609 0.921 1.000 0.700 CB 1.171 21 residues pruned to eliminate duplicates Z: 20 37.313 2.226 0.807 0.932 1.000 0.895 CB 1.487 20 residues pruned to eliminate duplicates Z: 12 32.375 2.277 1.026 0.920 0.909 0.818 CB 1.639 12 residues pruned to eliminate duplicates Z: 11 18.337 2.065 0.624 0.797 0.900 0.500 CB 1.482 8 residues pruned to eliminate duplicates Z: 23 52.467 2.264 1.197 0.938 0.955 0.773 CB 1.638 22 residues pruned to eliminate duplicates Z: 30 57.215 2.252 1.328 0.912 0.966 0.586 CB 1.486 30 residues pruned to eliminate duplicates Z: 28 57.904 2.340 0.987 0.962 1.000 0.667 CB 1.640 28 residues pruned to eliminate duplicates Z: 22 49.353 2.326 1.032 0.953 0.952 0.952 CA 1.646 22 residues pruned to eliminate duplicates Z: 7 11.995 2.100 0.446 0.723 1.000 0.500 CB 1.318 7 residues pruned to eliminate duplicates Z: 8 21.512 1.848 1.247 0.826 1.000 0.714 CA 1.476 8 residues pruned to eliminate duplicates Z: 26 57.690 2.395 0.988 0.961 1.000 0.880 CB 1.658 26 residues pruned to eliminate duplicates Z: 22 47.037 2.174 1.027 0.967 1.000 0.952 CA 1.589 22 residues pruned to eliminate duplicates Z: 15 20.477 2.121 0.482 0.835 0.857 0.500 CB 1.522 19 residues pruned to eliminate duplicates Z: 24 42.009 2.071 1.072 0.940 1.000 0.826 CB 1.418 24 residues pruned to eliminate duplicates Z: 28 52.606 2.339 0.927 0.936 0.963 0.778 CB 1.625 28 residues pruned to eliminate duplicates Z: 10 31.640 2.292 1.019 0.867 1.000 0.889 CA 1.668 10 residues pruned to eliminate duplicates Z: 30 54.642 2.248 1.270 0.901 0.966 0.621 CB 1.470 30 residues pruned to eliminate duplicates Z: 30 56.188 2.242 1.271 0.917 0.966 0.724 CB 1.497 30 residues pruned to eliminate duplicates Z: 29 57.971 2.295 1.080 0.941 1.000 0.500 CB 1.592 29 residues pruned to eliminate duplicates Z: 23 46.916 2.258 0.962 0.954 1.000 0.955 CA 1.553 23 residues pruned to eliminate duplicates Z: 24 43.234 2.181 0.729 0.936 1.000 0.870 CB 1.664 24 residues pruned to eliminate duplicates Z: 22 43.278 2.175 0.946 0.961 1.000 0.762 CB 1.527 22 residues pruned to eliminate duplicates Z: 20 25.855 2.161 0.589 0.942 1.000 0.842 CB 1.197 20 residues pruned to eliminate duplicates Z: 77 74.460 2.287 0.939 0.765 0.947 0.711 CB 1.607 77 residues pruned to eliminate duplicates Z: 21 36.367 2.193 0.972 0.900 0.950 0.850 CB 1.413 21 residues pruned to eliminate duplicates Z: 24 41.117 2.070 0.975 0.929 1.000 0.739 CB 1.467 24 residues pruned to eliminate duplicates Z: 8 12.171 1.833 0.990 0.859 0.714 0.571 CA 1.299 8 residues pruned to eliminate duplicates Z: 24 49.855 2.226 1.030 0.949 0.957 0.870 CB 1.660 24 residues pruned to eliminate duplicates Z: 24 54.081 2.202 1.174 0.940 1.000 0.913 CB 1.636 24 residues pruned to eliminate duplicates Z: 20 30.288 2.228 0.516 0.926 1.000 0.895 CB 1.443 20 residues pruned to eliminate duplicates Z: 30 53.050 2.249 1.244 0.905 0.966 0.690 CB 1.439 30 residues pruned to eliminate duplicates Z: 28 53.676 2.313 0.914 0.943 1.000 0.704 CB 1.617 28 residues pruned to eliminate duplicates Z: 14 30.089 2.171 0.837 0.911 0.923 0.769 CA 1.607 14 residues pruned to eliminate duplicates Z: 11 20.431 2.074 0.746 0.769 1.000 0.800 CB 1.405 11 residues pruned to eliminate duplicates Z: 11 26.987 2.106 1.018 0.899 1.000 0.900 CB 1.436 11 residues pruned to eliminate duplicates Z: 21 36.588 2.166 1.005 0.940 0.950 0.750 CB 1.377 21 residues pruned to eliminate duplicates Z: 22 58.510 2.348 1.300 0.956 1.000 0.667 CB 1.624 23 residues pruned to eliminate duplicates Z: 23 48.481 2.239 0.927 0.938 1.000 0.682 CB 1.666 23 residues pruned to eliminate duplicates Z: 23 52.566 2.287 1.174 0.925 0.955 0.591 CA 1.657 23 residues pruned to eliminate duplicates Z: 21 39.044 2.171 0.989 0.954 1.000 0.600 CB 1.390 21 residues pruned to eliminate duplicates Z: 11 21.341 2.135 0.647 0.824 1.000 0.900 CB 1.449 11 residues pruned to eliminate duplicates Z: 20 27.926 2.232 0.610 0.940 1.000 0.947 CB 1.238 20 residues pruned to eliminate duplicates Z: 22 60.080 2.327 1.368 0.951 1.000 0.667 CB 1.640 22 residues pruned to eliminate duplicates Z: 11 19.186 2.121 0.430 0.908 1.000 0.900 CA 1.421 10 residues pruned to eliminate duplicates Z: 22 27.912 2.150 0.705 0.931 0.952 0.571 CB 1.219 22 residues pruned to eliminate duplicates Z: 23 44.464 2.158 0.940 0.970 1.000 0.864 CB 1.540 23 residues pruned to eliminate duplicates Z: 10 23.030 2.246 0.697 0.826 0.889 0.444 CB 1.709 10 residues pruned to eliminate duplicates Z: 21 35.839 2.136 0.933 0.902 1.000 0.800 CB 1.384 21 residues pruned to eliminate duplicates Z: 21 37.747 2.175 0.953 0.943 1.000 0.600 CB 1.377 21 residues pruned to eliminate duplicates Z: 22 43.379 2.273 0.766 0.933 1.000 0.905 CB 1.645 22 residues pruned to eliminate duplicates Z: 84 74.908 2.299 1.003 0.710 0.928 0.663 CB 1.590 86 residues pruned to eliminate duplicates Z: 131 91.058 2.286 1.002 0.688 0.915 0.631 CB 1.604 127 residues pruned to eliminate duplicates Z: 20 32.557 2.229 1.008 0.955 0.947 0.632 CB 1.211 20 residues pruned to eliminate duplicates Z: 20 36.280 2.252 1.011 0.949 1.000 0.737 CB 1.268 21 residues pruned to eliminate duplicates Z: 11 24.224 2.091 0.819 0.863 1.000 0.600 CB 1.477 11 residues pruned to eliminate duplicates Z: 79 79.945 2.255 1.051 0.773 0.962 0.628 CB 1.598 79 residues pruned to eliminate duplicates Z: 21 40.545 2.181 0.827 0.955 1.000 0.750 CB 1.564 21 residues pruned to eliminate duplicates Z: 8 14.225 2.176 0.678 0.682 1.000 0.857 CA 1.246 8 residues pruned to eliminate duplicates Z: 22 51.751 2.178 1.233 0.964 1.000 0.857 CB 1.586 22 residues pruned to eliminate duplicates Z: 22 45.884 2.171 1.000 0.967 1.000 1.000 CB 1.572 22 residues pruned to eliminate duplicates Z: 55 50.924 2.236 0.830 0.655 0.981 0.778 CB 1.494 55 residues pruned to eliminate duplicates Z: 20 41.544 2.268 0.982 0.941 1.000 0.684 CB 1.471 20 residues pruned to eliminate duplicates Z: 11 22.283 2.021 0.836 0.882 1.000 0.800 CA 1.374 11 residues pruned to eliminate duplicates Z: 20 34.660 2.232 0.817 0.922 1.000 0.526 CB 1.379 20 residues pruned to eliminate duplicates Z: 21 34.299 2.144 1.036 0.921 0.900 0.450 CB 1.373 21 residues pruned to eliminate duplicates Z: 7 14.859 2.086 0.592 0.766 1.000 1.000 CB 1.443 7 residues pruned to eliminate duplicates Z: 22 35.623 2.126 0.649 0.945 1.000 0.905 CA 1.535 22 residues pruned to eliminate duplicates Z: 20 42.989 2.263 1.006 0.923 1.000 0.842 CB 1.527 20 residues pruned to eliminate duplicates Z: 24 37.425 2.053 0.788 0.941 1.000 0.957 CB 1.475 24 residues pruned to eliminate duplicates Z: 23 39.411 2.136 0.875 0.955 1.000 1.000 CB 1.442 23 residues pruned to eliminate duplicates Z: 10 12.135 1.801 0.567 0.701 0.778 0.444 CB 1.534 10 residues pruned to eliminate duplicates Z: 22 44.786 2.190 0.954 0.954 1.000 0.857 CB 1.572 22 residues pruned to eliminate duplicates Z: 7 15.363 2.373 0.226 0.782 1.000 0.833 CA 1.682 7 residues pruned to eliminate duplicates Z: 20 34.279 2.250 0.840 0.897 0.947 0.579 CB 1.436 20 residues pruned to eliminate duplicates Z: 29 61.530 2.280 1.323 0.939 1.000 0.786 CB 1.525 29 residues pruned to eliminate duplicates Z: 21 30.244 1.999 0.877 0.890 0.950 0.900 CB 1.365 21 residues pruned to eliminate duplicates Z: 23 52.419 2.286 1.106 0.950 1.000 0.682 CA 1.601 23 residues pruned to eliminate duplicates Z: 11 19.180 2.140 0.499 0.832 1.000 0.900 CA 1.419 11 residues pruned to eliminate duplicates Z: 23 52.329 2.286 1.087 0.948 1.000 0.864 CA 1.615 23 residues pruned to eliminate duplicates Z: 20 37.114 2.287 0.875 0.932 0.947 0.737 CB 1.464 20 residues pruned to eliminate duplicates Z: 6 8.851 1.762 0.682 0.733 1.000 0.800 CB 1.083 6 residues pruned to eliminate duplicates Z: 23 50.935 2.272 1.101 0.943 1.000 0.727 CB 1.577 23 residues pruned to eliminate duplicates Z: 23 30.403 2.128 0.382 0.961 1.000 0.955 CB 1.509 23 residues pruned to eliminate duplicates Z: 23 41.617 2.120 0.957 0.959 1.000 0.955 CB 1.466 23 residues pruned to eliminate duplicates Z: 20 37.571 2.248 1.166 0.945 1.000 0.526 CB 1.225 20 residues pruned to eliminate duplicates Z: 21 33.454 2.174 0.926 0.954 1.000 0.600 CB 1.229 21 residues pruned to eliminate duplicates Z: 28 44.478 2.282 0.801 0.924 0.963 0.741 CB 1.519 28 residues pruned to eliminate duplicates Z: 22 64.064 2.354 1.410 0.961 1.000 0.619 CB 1.686 23 residues pruned to eliminate duplicates Z: 133 92.166 2.280 1.012 0.713 0.947 0.674 CB 1.523 133 residues pruned to eliminate duplicates Z: 7 18.992 2.208 0.908 0.775 0.833 0.500 CB 1.732 7 residues pruned to eliminate duplicates Z: 23 33.698 2.063 0.630 0.930 1.000 0.864 CB 1.495 23 residues pruned to eliminate duplicates Z: 28 42.070 2.294 0.519 0.941 1.000 0.963 CB 1.613 28 residues pruned to eliminate duplicates Z: 23 48.832 2.159 1.175 0.961 1.000 0.909 CB 1.517 23 residues pruned to eliminate duplicates Z: 23 27.094 2.126 0.673 0.862 0.955 0.909 CB 1.249 23 residues pruned to eliminate duplicates Z: 21 43.577 2.332 0.638 0.952 1.000 1.000 CB 1.757 21 residues pruned to eliminate duplicates Z: 29 53.113 2.249 1.112 0.921 1.000 0.714 CB 1.487 29 residues pruned to eliminate duplicates Z: 22 25.311 2.172 0.715 0.679 0.905 0.667 CA 1.390 22 residues pruned to eliminate duplicates Z: 18 40.861 2.323 1.035 0.949 1.000 0.471 CB 1.447 18 residues pruned to eliminate duplicates Z: 23 42.597 2.233 0.760 0.933 1.000 0.818 CB 1.612 23 residues pruned to eliminate duplicates Z: 22 28.655 2.108 0.793 0.933 0.952 0.810 CB 1.212 21 residues pruned to eliminate duplicates Z: 22 30.157 2.133 0.721 0.934 1.000 0.810 CB 1.250 22 residues pruned to eliminate duplicates Z: 29 45.444 2.226 0.838 0.900 1.000 0.714 CB 1.500 29 residues pruned to eliminate duplicates Z: 23 39.030 2.233 1.084 0.809 0.955 0.682 CB 1.431 23 residues pruned to eliminate duplicates Z: 27 53.414 2.334 0.981 0.948 1.000 0.731 CB 1.565 27 residues pruned to eliminate duplicates Z: 20 37.029 2.273 0.920 0.914 0.947 0.632 CB 1.453 20 residues pruned to eliminate duplicates Z: 22 53.602 2.366 1.164 0.956 0.952 0.857 CB 1.648 22 residues pruned to eliminate duplicates Z: 16 27.809 2.305 0.897 0.634 0.933 0.600 CA 1.552 16 residues pruned to eliminate duplicates Z: 16 26.006 1.940 0.676 0.890 0.933 0.667 CB 1.592 16 residues pruned to eliminate duplicates Z: 33 48.897 2.202 1.160 0.752 0.906 0.781 CB 1.601 33 residues pruned to eliminate duplicates Z: 28 45.511 2.311 0.599 0.951 1.000 0.889 CB 1.634 28 residues pruned to eliminate duplicates Z: 23 49.152 2.155 1.209 0.959 1.000 0.682 CB 1.509 23 residues pruned to eliminate duplicates Z: 20 24.383 2.139 0.581 0.948 1.000 0.895 CB 1.142 20 residues pruned to eliminate duplicates Z: 42 54.969 2.328 0.931 0.717 0.927 0.732 CB 1.693 42 residues pruned to eliminate duplicates Z: 21 33.985 2.161 0.982 0.933 0.950 0.650 CB 1.304 21 residues pruned to eliminate duplicates Z: 11 13.981 2.088 0.200 0.875 1.000 1.000 CB 1.283 11 residues pruned to eliminate duplicates Z: 21 31.430 2.136 0.685 0.879 1.000 0.800 CB 1.416 21 residues pruned to eliminate duplicates Z: 11 13.754 1.605 0.686 0.693 1.000 0.600 N 1.347 11 residues pruned to eliminate duplicates Z: 20 25.438 2.202 0.579 0.952 1.000 0.737 CB 1.156 20 residues pruned to eliminate duplicates Z: 15 33.081 2.044 1.164 0.870 1.000 0.286 CB 1.459 15 residues pruned to eliminate duplicates Z: 27 38.041 2.209 0.500 0.922 1.000 0.962 CB 1.583 27 residues pruned to eliminate duplicates Z: 22 30.241 2.102 0.884 0.938 1.000 0.952 CB 1.159 21 residues pruned to eliminate duplicates Z: 27 39.931 2.260 0.947 0.735 0.923 0.615 CB 1.562 27 residues pruned to eliminate duplicates Z: 8 19.831 2.169 0.606 0.913 1.000 1.000 CA 1.523 8 residues pruned to eliminate duplicates Z: 24 38.074 2.090 0.789 0.946 1.000 0.870 CB 1.468 24 residues pruned to eliminate duplicates Z: 30 47.366 2.164 1.023 0.906 0.966 0.690 CB 1.480 30 residues pruned to eliminate duplicates Z: 10 15.439 1.925 0.741 0.756 0.778 0.556 CB 1.572 10 residues pruned to eliminate duplicates Z: 42 60.027 2.309 0.954 0.767 0.976 0.732 CB 1.681 42 residues pruned to eliminate duplicates Z: 9 4.013 1.781 0.425 0.062 0.750 0.375 CB 1.325 9 residues pruned to eliminate duplicates Z: 21 31.179 2.171 0.869 0.955 0.950 0.700 CB 1.243 21 residues pruned to eliminate duplicates Z: 30 51.459 2.210 1.260 0.898 0.966 0.690 CB 1.417 30 residues pruned to eliminate duplicates Z: 23 36.544 2.129 0.733 0.952 1.000 0.909 CB 1.454 23 residues pruned to eliminate duplicates Z: 110 89.585 2.276 1.020 0.744 0.954 0.606 CB 1.572 110 residues pruned to eliminate duplicates Z: 22 63.553 2.338 1.412 0.963 1.000 0.667 CB 1.682 22 residues pruned to eliminate duplicates Z: 24 35.226 2.183 1.011 0.728 1.000 0.696 CB 1.363 24 residues pruned to eliminate duplicates Z: 12 23.468 2.398 0.901 0.485 0.909 0.636 CB 1.734 12 residues pruned to eliminate duplicates Z: 91 67.962 2.205 1.020 0.683 0.922 0.611 CB 1.474 91 residues pruned to eliminate duplicates Z: 6 4.737 1.577 0.311 0.551 1.000 0.400 CB 0.975 Z: 56 62.228 2.296 0.887 0.718 0.982 0.800 CB 1.620 56 residues pruned to eliminate duplicates Z: 106 80.332 2.291 0.794 0.751 0.943 0.752 CB 1.617 106 residues pruned to eliminate duplicates Z: 23 41.017 2.211 0.724 0.922 1.000 0.909 CB 1.614 23 residues pruned to eliminate duplicates Z: 22 30.948 2.134 0.776 0.942 1.000 0.762 CB 1.236 22 residues pruned to eliminate duplicates Z: 19 44.225 2.214 1.056 0.938 1.000 0.889 CB 1.592 19 residues pruned to eliminate duplicates Z: 21 38.281 2.197 0.986 0.891 0.950 0.650 CB 1.484 21 residues pruned to eliminate duplicates Z: 42 49.164 2.303 1.015 0.624 0.902 0.610 CB 1.632 42 residues pruned to eliminate duplicates Z: 20 45.714 2.298 0.861 0.937 1.000 0.895 CB 1.707 20 residues pruned to eliminate duplicates Z: 10 16.080 2.000 0.518 0.838 1.000 0.778 CB 1.320 10 residues pruned to eliminate duplicates Z: 89 72.613 2.250 0.907 0.705 0.932 0.727 CB 1.607 89 residues pruned to eliminate duplicates Z: 28 67.776 2.326 1.328 0.970 1.000 0.667 CB 1.638 28 residues pruned to eliminate duplicates Z: 22 51.459 2.293 1.289 0.942 0.952 0.810 CA 1.558 22 residues pruned to eliminate duplicates Z: 28 29.805 2.060 0.906 0.621 0.926 0.556 CA 1.408 28 residues pruned to eliminate duplicates Z: 37 29.477 2.154 0.776 0.515 0.833 0.556 CB 1.518 37 residues pruned to eliminate duplicates Z: 23 41.368 2.104 1.014 0.946 1.000 0.591 CB 1.439 23 residues pruned to eliminate duplicates Z: 10 9.738 1.692 0.478 0.596 0.889 0.556 CB 1.332 10 residues pruned to eliminate duplicates Z: 6 7.314 1.821 0.892 0.481 0.800 0.800 CA 1.210 6 residues pruned to eliminate duplicates Z: 34 47.841 2.239 0.911 0.781 0.939 0.848 CB 1.618 34 residues pruned to eliminate duplicates Z: 21 59.061 2.368 1.349 0.951 1.000 0.650 CB 1.636 21 residues pruned to eliminate duplicates Z: 17 20.127 2.030 0.697 0.570 0.938 0.625 CB 1.456 17 residues pruned to eliminate duplicates Z: 62 39.731 2.004 0.985 0.586 0.836 0.410 CB 1.408 62 residues pruned to eliminate duplicates Z: 14 33.720 2.319 0.777 0.930 1.000 0.846 CB 1.587 14 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 43 36.457 2.086 0.937 0.653 0.929 0.548 CB 1.300 43 residues pruned to eliminate duplicates Z: 24 26.212 2.036 0.828 0.825 0.913 0.565 CB 1.213 24 residues pruned to eliminate duplicates Z: 22 30.539 2.159 0.820 0.902 1.000 0.714 CB 1.210 22 residues pruned to eliminate duplicates Z: 24 28.274 2.097 0.857 0.832 0.957 0.783 CB 1.188 24 residues pruned to eliminate duplicates Z: 24 28.772 2.111 0.914 0.790 0.957 0.652 CB 1.204 24 residues pruned to eliminate duplicates Z: 23 27.283 2.083 1.037 0.824 0.909 0.727 CB 1.139 23 residues pruned to eliminate duplicates Z: 21 27.624 2.183 0.760 0.900 0.950 0.650 CB 1.209 21 residues pruned to eliminate duplicates Z: 23 25.162 2.101 0.990 0.809 0.864 0.591 CB 1.134 23 residues pruned to eliminate duplicates Z: 30 23.478 1.994 0.854 0.677 0.897 0.690 CB 1.117 30 residues pruned to eliminate duplicates Z: 25 26.107 2.044 0.900 0.756 0.958 0.708 CB 1.140 25 residues pruned to eliminate duplicates Z: 24 27.474 2.106 0.832 0.790 0.957 0.696 CB 1.203 24 residues pruned to eliminate duplicates Z: 24 29.669 2.094 0.858 0.822 1.000 0.696 CB 1.203 24 residues pruned to eliminate duplicates Z: 26 29.777 2.041 0.960 0.764 0.960 0.720 CB 1.227 26 residues pruned to eliminate duplicates Z: 25 25.452 2.044 0.950 0.797 0.917 0.667 CB 1.096 25 residues pruned to eliminate duplicates Z: 41 38.664 2.095 0.983 0.674 0.900 0.500 CB 1.392 63 residues pruned to eliminate duplicates Z: 28 28.126 1.996 0.910 0.766 0.963 0.667 CB 1.165 Z: 20 34.441 2.183 0.993 0.958 1.000 0.789 CB 1.246 24 residues pruned to eliminate duplicates Z: 21 34.391 2.194 0.967 0.939 1.000 0.750 CB 1.238 21 residues pruned to eliminate duplicates Z: 21 32.849 2.179 0.851 0.949 1.000 0.750 CB 1.257 21 residues pruned to eliminate duplicates Z: 24 42.771 2.088 1.073 0.912 1.000 0.783 CB 1.459 24 residues pruned to eliminate duplicates Z: 25 40.654 2.083 0.979 0.869 1.000 0.833 CB 1.471 25 residues pruned to eliminate duplicates Z: 104 85.920 2.288 0.897 0.768 0.961 0.767 CB 1.601 104 residues pruned to eliminate duplicates Z: 72 76.991 2.268 1.048 0.765 0.972 0.761 CB 1.600 23 residues pruned to eliminate duplicates Z: 23 48.622 2.180 1.087 0.966 1.000 0.955 CB 1.554 23 residues pruned to eliminate duplicates Z: 23 47.368 2.179 1.040 0.959 1.000 0.864 CB 1.557 23 residues pruned to eliminate duplicates Z: 78 75.464 2.262 0.901 0.765 0.974 0.805 CB 1.623 78 residues pruned to eliminate duplicates Z: 103 92.358 2.294 0.961 0.774 0.980 0.794 CB 1.627 103 residues pruned to eliminate duplicates Z: 106 86.335 2.283 0.931 0.744 0.952 0.705 CB 1.614 106 residues pruned to eliminate duplicates Z: 25 40.963 2.088 1.202 0.885 0.917 0.750 CB 1.432 25 residues pruned to eliminate duplicates Z: 24 46.314 2.090 1.223 0.900 1.000 0.696 CB 1.484 24 residues pruned to eliminate duplicates Z: 24 48.231 2.062 1.338 0.918 1.000 0.652 CB 1.471 24 residues pruned to eliminate duplicates Z: 23 50.317 2.182 1.212 0.958 1.000 0.591 CB 1.524 23 residues pruned to eliminate duplicates Z: 24 45.834 2.101 1.232 0.915 0.957 0.739 CB 1.506 24 residues pruned to eliminate duplicates Z: 23 52.198 2.178 1.272 0.965 1.000 0.818 CB 1.535 23 residues pruned to eliminate duplicates Z: 27 43.208 2.052 1.153 0.868 0.962 0.654 CB 1.458 27 residues pruned to eliminate duplicates Z: 113 89.875 2.273 0.961 0.753 0.946 0.679 CB 1.606 113 residues pruned to eliminate duplicates Z: 79 81.328 2.265 1.078 0.756 0.987 0.744 CB 1.577 79 residues pruned to eliminate duplicates Z: 50 55.491 2.178 1.170 0.718 0.898 0.592 CB 1.534 50 residues pruned to eliminate duplicates Z: 155 85.644 2.247 0.847 0.685 0.922 0.636 CB 1.523 155 residues pruned to eliminate duplicates Z: 104 89.213 2.285 1.025 0.758 0.951 0.689 CB 1.588 104 residues pruned to eliminate duplicates Z: 135 92.541 2.313 0.856 0.711 0.955 0.694 CB 1.609 135 residues pruned to eliminate duplicates Z: 103 89.516 2.292 0.977 0.776 0.980 0.686 CB 1.563 103 residues pruned to eliminate duplicates Z: 103 86.902 2.287 0.984 0.763 0.971 0.667 CB 1.547 103 residues pruned to eliminate duplicates Z: 79 79.685 2.262 1.098 0.760 0.949 0.744 CB 1.591 79 residues pruned to eliminate duplicates Z: 79 75.230 2.244 0.985 0.752 0.974 0.679 CB 1.567 79 residues pruned to eliminate duplicates Z: 58 63.848 2.294 0.971 0.699 0.965 0.789 CB 1.616 58 residues pruned to eliminate duplicates Z: 102 79.640 2.235 1.033 0.729 0.931 0.663 CB 1.525 102 residues pruned to eliminate duplicates Z: 92 71.395 2.288 0.759 0.707 0.945 0.758 CB 1.631 92 residues pruned to eliminate duplicates Z: 85 74.022 2.290 0.881 0.718 0.952 0.714 CB 1.617 85 residues pruned to eliminate duplicates Z: 113 88.079 2.277 0.958 0.752 0.929 0.652 CB 1.606 113 residues pruned to eliminate duplicates Z: 85 75.596 2.279 0.896 0.726 0.952 0.726 CB 1.636 85 residues pruned to eliminate duplicates Z: 103 85.829 2.293 0.930 0.777 0.941 0.735 CB 1.598 103 residues pruned to eliminate duplicates Z: 153 101.069 2.278 0.935 0.744 0.947 0.651 CB 1.579 153 residues pruned to eliminate duplicates Z: 105 83.396 2.275 0.971 0.770 0.942 0.673 CB 1.523 105 residues pruned to eliminate duplicates Z: 106 87.005 2.266 1.003 0.746 0.943 0.648 CB 1.592 106 residues pruned to eliminate duplicates Z: 61 58.673 2.270 0.850 0.671 0.950 0.683 CB 1.620 61 residues pruned to eliminate duplicates Z: 80 55.785 2.208 0.724 0.646 0.899 0.671 CB 1.601 80 residues pruned to eliminate duplicates Z: 103 84.067 2.270 0.915 0.780 0.941 0.706 CB 1.589 103 residues pruned to eliminate duplicates Z: 102 79.686 2.271 0.898 0.739 0.931 0.574 CB 1.594 102 residues pruned to eliminate duplicates Z: 82 70.672 2.296 0.812 0.731 0.938 0.753 CB 1.634 82 residues pruned to eliminate duplicates Z: 58 59.522 2.302 0.850 0.715 0.947 0.825 CB 1.608 58 residues pruned to eliminate duplicates Z: 133 83.313 2.282 0.766 0.706 0.932 0.735 CB 1.602 133 residues pruned to eliminate duplicates Z: 50 53.781 2.164 1.098 0.697 0.939 0.510 CB 1.507 50 residues pruned to eliminate duplicates Z: 82 76.557 2.320 0.946 0.712 0.963 0.679 CB 1.614 82 residues pruned to eliminate duplicates Z: 57 66.889 2.314 0.984 0.724 0.964 0.768 CB 1.650 57 residues pruned to eliminate duplicates Z: 37 49.289 2.334 0.716 0.822 0.944 0.889 CB 1.643 37 residues pruned to eliminate duplicates Z: 78 73.259 2.249 1.009 0.768 0.935 0.727 CB 1.559 78 residues pruned to eliminate duplicates Z: 57 60.240 2.301 0.964 0.708 0.929 0.714 CB 1.588 57 residues pruned to eliminate duplicates Z: 86 76.734 2.306 0.903 0.730 0.965 0.659 CB 1.598 86 residues pruned to eliminate duplicates Z: 114 80.682 2.325 0.802 0.736 0.912 0.743 CB 1.608 114 residues pruned to eliminate duplicates Z: 58 58.726 2.291 0.812 0.708 0.947 0.754 CB 1.638 58 residues pruned to eliminate duplicates Z: 68 63.317 2.294 0.881 0.731 0.896 0.657 CB 1.626 68 residues pruned to eliminate duplicates Z: 61 52.516 2.257 0.796 0.659 0.917 0.667 CB 1.575 61 residues pruned to eliminate duplicates Z: 115 83.817 2.260 0.939 0.753 0.904 0.658 CB 1.582 115 residues pruned to eliminate duplicates Z: 122 77.084 2.283 0.806 0.715 0.901 0.678 CB 1.553 122 residues pruned to eliminate duplicates Z: 83 70.551 2.200 1.036 0.710 0.951 0.585 CB 1.511 83 residues pruned to eliminate duplicates Z: 107 83.692 2.254 0.994 0.742 0.934 0.585 CB 1.560 107 residues pruned to eliminate duplicates Z: 62 71.748 2.324 0.948 0.798 0.967 0.721 CB 1.617 62 residues pruned to eliminate duplicates Z: 134 88.749 2.301 0.836 0.716 0.940 0.699 CB 1.594 134 residues pruned to eliminate duplicates Z: 113 90.330 2.276 0.971 0.761 0.955 0.705 CB 1.580 113 residues pruned to eliminate duplicates Z: 56 63.620 2.300 0.996 0.695 0.945 0.655 CB 1.655 56 residues pruned to eliminate duplicates Z: 79 76.515 2.249 1.071 0.752 0.949 0.667 CB 1.566 79 residues pruned to eliminate duplicates Z: 113 85.559 2.261 0.979 0.761 0.929 0.661 CB 1.543 113 residues pruned to eliminate duplicates Z: 154 99.018 2.285 0.903 0.741 0.941 0.673 CB 1.577 154 residues pruned to eliminate duplicates Z: 114 85.664 2.296 0.929 0.696 0.920 0.549 CB 1.653 114 residues pruned to eliminate duplicates Z: 56 62.973 2.287 1.094 0.697 0.927 0.636 CB 1.598 56 residues pruned to eliminate duplicates Z: 120 86.376 2.308 0.958 0.705 0.916 0.639 CB 1.588 120 residues pruned to eliminate duplicates Z: 111 87.484 2.246 1.080 0.721 0.936 0.609 CB 1.561 111 residues pruned to eliminate duplicates Z: 80 78.573 2.343 1.042 0.736 0.924 0.658 CB 1.618 80 residues pruned to eliminate duplicates Z: 38 53.986 2.292 1.076 0.796 0.919 0.568 CB 1.566 38 residues pruned to eliminate duplicates Z: 34 50.071 2.259 1.108 0.781 0.909 0.636 CB 1.571 34 residues pruned to eliminate duplicates Z: 81 82.947 2.329 1.052 0.753 0.963 0.675 CB 1.610 81 residues pruned to eliminate duplicates Z: 80 77.033 2.238 1.071 0.735 0.949 0.582 CB 1.595 80 residues pruned to eliminate duplicates Z: 83 71.761 2.299 0.897 0.722 0.927 0.622 CB 1.604 83 residues pruned to eliminate duplicates Z: 82 78.291 2.318 0.962 0.735 0.951 0.704 CB 1.629 82 residues pruned to eliminate duplicates Z: 123 88.847 2.307 0.932 0.716 0.943 0.656 CB 1.574 123 residues pruned to eliminate duplicates Z: 82 81.297 2.321 1.000 0.741 0.975 0.667 CB 1.607 82 residues pruned to eliminate duplicates Z: 86 73.944 2.290 0.878 0.723 0.953 0.706 CB 1.601 86 residues pruned to eliminate duplicates Z: 68 65.541 2.266 0.917 0.771 0.955 0.597 CB 1.518 68 residues pruned to eliminate duplicates Z: 81 78.827 2.324 0.960 0.746 0.975 0.688 CB 1.592 81 residues pruned to eliminate duplicates Z: 155 103.306 2.290 0.959 0.734 0.948 0.656 CB 1.587 155 residues pruned to eliminate duplicates Z: 81 75.036 2.318 0.900 0.748 0.963 0.637 CB 1.586 81 residues pruned to eliminate duplicates Z: 106 83.941 2.260 0.966 0.752 0.943 0.667 CB 1.561 106 residues pruned to eliminate duplicates Z: 106 88.310 2.275 1.007 0.775 0.962 0.667 CB 1.538 106 residues pruned to eliminate duplicates Z: 73 69.402 2.282 0.918 0.759 0.944 0.722 CB 1.572 73 residues pruned to eliminate duplicates Z: 132 95.786 2.326 0.915 0.720 0.954 0.679 CB 1.615 132 residues pruned to eliminate duplicates Z: 82 77.138 2.300 0.988 0.747 0.951 0.630 CB 1.582 82 residues pruned to eliminate duplicates Z: 103 81.239 2.244 1.001 0.719 0.941 0.569 CB 1.561 103 residues pruned to eliminate duplicates Z: 155 105.083 2.289 0.965 0.738 0.948 0.708 CB 1.604 155 residues pruned to eliminate duplicates Z: 78 62.032 2.271 0.921 0.700 0.870 0.532 CB 1.552 78 residues pruned to eliminate duplicates Z: 157 108.135 2.290 1.053 0.743 0.936 0.596 CB 1.583 157 residues pruned to eliminate duplicates Z: 83 72.642 2.302 0.902 0.736 0.951 0.561 CB 1.558 83 residues pruned to eliminate duplicates Z: 73 70.732 2.297 0.917 0.759 0.931 0.556 CB 1.615 73 residues pruned to eliminate duplicates Z: 87 76.673 2.260 1.048 0.699 0.953 0.547 CB 1.563 87 residues pruned to eliminate duplicates Z: 84 79.670 2.304 1.003 0.727 0.976 0.735 CB 1.582 84 residues pruned to eliminate duplicates Z: 66 66.286 2.276 0.938 0.763 0.908 0.646 CB 1.626 66 residues pruned to eliminate duplicates Z: 59 69.299 2.300 1.027 0.801 0.983 0.552 CB 1.527 59 residues pruned to eliminate duplicates Z: 58 70.434 2.280 1.080 0.792 0.965 0.649 CB 1.578 58 residues pruned to eliminate duplicates Z: 80 81.688 2.349 0.999 0.752 0.949 0.722 CB 1.647 80 residues pruned to eliminate duplicates Z: 103 94.250 2.299 1.103 0.785 0.951 0.686 CB 1.580 103 residues pruned to eliminate duplicates Z: 101 82.761 2.276 0.982 0.739 0.940 0.660 CB 1.575 101 residues pruned to eliminate duplicates Z: 37 41.682 2.238 0.873 0.686 0.889 0.667 CB 1.572 37 residues pruned to eliminate duplicates Z: 91 82.979 2.305 1.047 0.724 0.933 0.611 CB 1.623 91 residues pruned to eliminate duplicates Z: 152 100.663 2.266 0.971 0.732 0.967 0.616 CB 1.540 152 residues pruned to eliminate duplicates Z: 91 84.857 2.283 1.022 0.729 0.978 0.622 CB 1.612 91 residues pruned to eliminate duplicates Z: 165 100.174 2.256 0.966 0.733 0.927 0.659 CB 1.543 165 residues pruned to eliminate duplicates Z: 134 94.455 2.308 0.958 0.707 0.917 0.624 CB 1.636 134 residues pruned to eliminate duplicates Z: 140 96.616 2.265 0.984 0.754 0.935 0.626 CB 1.556 140 residues pruned to eliminate duplicates Z: 130 99.793 2.314 0.994 0.713 0.969 0.605 CB 1.619 130 residues pruned to eliminate duplicates Z: 49 53.073 2.342 0.771 0.695 0.938 0.729 CB 1.649 49 residues pruned to eliminate duplicates Z: 51 56.203 2.324 0.878 0.687 0.920 0.700 CB 1.668 51 residues pruned to eliminate duplicates Z: 133 94.908 2.319 0.942 0.711 0.947 0.606 CB 1.599 133 residues pruned to eliminate duplicates Z: 54 52.504 2.257 0.854 0.678 0.925 0.755 CB 1.582 54 residues pruned to eliminate duplicates Z: 44 53.095 2.289 0.842 0.696 0.953 0.698 CB 1.684 44 residues pruned to eliminate duplicates Z: 157 108.101 2.273 1.028 0.736 0.955 0.667 CB 1.591 157 residues pruned to eliminate duplicates Z: 46 47.759 2.262 0.887 0.646 0.933 0.644 CB 1.559 46 residues pruned to eliminate duplicates Z: 152 104.729 2.264 1.012 0.751 0.954 0.609 CB 1.568 152 residues pruned to eliminate duplicates Z: 77 57.572 2.209 0.855 0.664 0.921 0.632 CB 1.504 77 residues pruned to eliminate duplicates Z: 53 67.527 2.318 1.044 0.788 0.942 0.692 CB 1.628 53 residues pruned to eliminate duplicates Z: 46 49.245 2.244 0.838 0.685 0.933 0.778 CB 1.609 46 residues pruned to eliminate duplicates Z: 151 103.217 2.280 1.027 0.723 0.927 0.593 CB 1.609 151 residues pruned to eliminate duplicates Z: 39 57.814 2.351 0.972 0.729 0.947 0.658 CA 1.737 39 residues pruned to eliminate duplicates Z: 41 55.378 2.345 0.901 0.739 0.950 0.775 CB 1.668 41 residues pruned to eliminate duplicates Z: 39 57.704 2.351 0.997 0.716 0.947 0.684 CB 1.731 39 residues pruned to eliminate duplicates Z: 47 51.115 2.255 0.930 0.695 0.935 0.739 CB 1.550 47 residues pruned to eliminate duplicates Z: 152 97.009 2.251 1.030 0.729 0.921 0.543 CB 1.527 152 residues pruned to eliminate duplicates Z: 104 87.804 2.261 1.094 0.717 0.942 0.631 CB 1.594 104 residues pruned to eliminate duplicates Z: 43 52.383 2.297 1.015 0.701 0.929 0.667 CB 1.566 43 residues pruned to eliminate duplicates Z: 150 107.242 2.290 1.061 0.760 0.940 0.638 CB 1.572 150 residues pruned to eliminate duplicates Z: 31 43.461 2.263 0.951 0.750 0.933 0.733 CB 1.540 31 residues pruned to eliminate duplicates Z: 106 87.552 2.294 0.983 0.734 0.943 0.571 CB 1.615 106 residues pruned to eliminate duplicates Z: 52 51.735 2.277 0.907 0.673 0.902 0.588 CB 1.577 52 residues pruned to eliminate duplicates Z: 41 62.762 2.357 1.180 0.737 0.925 0.650 CB 1.688 41 residues pruned to eliminate duplicates Z: 153 107.424 2.276 1.090 0.756 0.934 0.684 CB 1.561 153 residues pruned to eliminate duplicates Z: 41 64.494 2.343 1.163 0.741 0.950 0.675 CB 1.706 41 residues pruned to eliminate duplicates Z: 45 57.974 2.285 1.237 0.671 0.909 0.659 CB 1.607 45 residues pruned to eliminate duplicates Z: 128 95.505 2.283 1.036 0.709 0.937 0.654 CB 1.610 128 residues pruned to eliminate duplicates Z: 41 60.011 2.353 1.150 0.741 0.950 0.700 CB 1.592 41 residues pruned to eliminate duplicates Z: 44 57.652 2.304 1.197 0.724 0.930 0.605 CB 1.526 44 residues pruned to eliminate duplicates Z: 52 54.331 2.272 1.034 0.693 0.902 0.510 CB 1.529 52 residues pruned to eliminate duplicates Z: 42 61.657 2.318 1.174 0.716 0.976 0.610 CB 1.611 42 residues pruned to eliminate duplicates Z: 17 29.755 2.277 0.957 0.598 1.000 0.500 CA 1.520 17 residues pruned to eliminate duplicates Z: 59 56.580 2.270 1.007 0.682 0.879 0.586 CB 1.569 59 residues pruned to eliminate duplicates Z: 41 62.282 2.349 1.136 0.735 0.975 0.650 CB 1.629 41 residues pruned to eliminate duplicates Z: 42 54.838 2.316 1.085 0.719 0.927 0.683 CB 1.570 42 residues pruned to eliminate duplicates Z: 41 65.132 2.355 1.205 0.739 0.950 0.675 CB 1.685 41 residues pruned to eliminate duplicates Z: 42 60.982 2.333 1.256 0.748 0.951 0.585 CB 1.524 42 residues pruned to eliminate duplicates Z: 41 61.640 2.325 1.213 0.734 0.975 0.650 CB 1.574 41 residues pruned to eliminate duplicates Z: 64 54.164 2.245 0.959 0.643 0.857 0.587 CB 1.584 64 residues pruned to eliminate duplicates Z: 73 78.100 2.288 1.166 0.811 0.944 0.736 CB 1.501 72 residues pruned to eliminate duplicates Z: 12 34.409 2.359 1.452 0.879 0.818 0.727 CB 1.589 12 residues pruned to eliminate duplicates Z: 56 68.440 2.273 1.165 0.759 0.927 0.655 CB 1.606 56 residues pruned to eliminate duplicates Z: 51 70.242 2.265 1.224 0.794 0.960 0.600 CB 1.587 51 residues pruned to eliminate duplicates Z: 14 21.861 2.000 1.088 0.694 0.846 0.692 CA 1.437 14 residues pruned to eliminate duplicates Z: 139 107.834 2.305 1.133 0.734 0.942 0.652 CB 1.606 139 residues pruned to eliminate duplicates Z: 12 21.728 2.142 1.161 0.765 0.727 0.727 CA 1.538 12 residues pruned to eliminate duplicates Z: 13 26.532 2.008 1.390 0.820 0.833 0.667 CA 1.451 13 residues pruned to eliminate duplicates Z: 50 62.363 2.265 1.116 0.727 0.939 0.673 CB 1.613 50 residues pruned to eliminate duplicates Z: 58 62.018 2.277 1.130 0.712 0.877 0.632 CB 1.593 58 residues pruned to eliminate duplicates Z: 12 27.985 2.181 1.160 0.838 0.909 0.818 CA 1.473 12 residues pruned to eliminate duplicates Z: 13 21.037 2.087 1.022 0.696 0.750 0.667 CA 1.604 13 residues pruned to eliminate duplicates Z: 12 19.466 2.131 1.092 0.755 0.818 0.727 CA 1.281 12 residues pruned to eliminate duplicates 186 residues left after pruning, divided into chains as follows: A: 186 CC for partial structure against native data = 48.33 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.465, Connect. = 0.774 for dens.mod. cycle 1 = 0.300, Contrast = 0.529, Connect. = 0.795 for dens.mod. cycle 2 = 0.300, Contrast = 0.622, Connect. = 0.813 for dens.mod. cycle 3 = 0.300, Contrast = 0.627, Connect. = 0.813 for dens.mod. cycle 4 = 0.300, Contrast = 0.635, Connect. = 0.815 for dens.mod. cycle 5 = 0.300, Contrast = 0.638, Connect. = 0.815 for dens.mod. cycle 6 = 0.300, Contrast = 0.642, Connect. = 0.816 for dens.mod. cycle 7 = 0.300, Contrast = 0.643, Connect. = 0.817 for dens.mod. cycle 8 = 0.300, Contrast = 0.645, Connect. = 0.817 for dens.mod. cycle 9 = 0.300, Contrast = 0.646, Connect. = 0.817 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1266 peaks > 0.5 sigma used to seed fragment search Space for about 244 unique residues taking solvent into account 251 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 38.400 2.221 1.006 0.928 0.947 0.526 CB 1.462 B: 23 61.449 2.267 1.309 0.949 1.000 0.864 CB 1.727 C: 29 52.100 2.262 1.123 0.912 0.964 0.821 CB 1.506 D: 24 58.422 2.229 1.412 0.924 0.957 0.522 CB 1.663 24 residues pruned to eliminate duplicates E: 12 33.773 2.301 1.128 0.897 0.909 0.727 CB 1.637 F: 22 61.666 2.297 1.429 0.946 1.000 0.524 CB 1.668 22 residues pruned to eliminate duplicates G: 20 37.655 2.262 0.988 0.919 0.947 0.737 CB 1.429 20 residues pruned to eliminate duplicates H: 23 55.003 2.277 1.163 0.949 1.000 0.909 CB 1.643 23 residues pruned to eliminate duplicates I: 81 74.615 2.327 0.818 0.734 0.988 0.700 CB 1.619 49 residues pruned to eliminate duplicates J: 24 57.916 2.215 1.453 0.950 0.957 0.565 CB 1.602 24 residues pruned to eliminate duplicates K: 23 47.603 2.259 1.080 0.938 0.955 0.773 CB 1.574 23 residues pruned to eliminate duplicates L: 7 17.863 2.257 0.670 0.805 1.000 0.833 CA 1.483 7 residues pruned to eliminate duplicates M: 26 42.578 2.331 0.540 0.948 1.000 1.000 CB 1.638 26 residues pruned to eliminate duplicates N: 10 16.415 2.039 0.615 0.741 1.000 0.889 CA 1.338 10 residues pruned to eliminate duplicates O: 20 34.584 2.233 0.844 0.955 1.000 0.895 CB 1.325 P: 26 39.928 2.299 0.738 0.894 0.960 0.840 CB 1.493 26 residues pruned to eliminate duplicates Q: 28 46.320 2.273 0.881 0.920 0.963 0.593 CB 1.524 28 residues pruned to eliminate duplicates R: 15 23.117 2.116 0.624 0.905 1.000 0.786 CB 1.280 15 residues pruned to eliminate duplicates S: 20 41.992 2.266 1.006 0.938 1.000 0.632 CB 1.473 20 residues pruned to eliminate duplicates T: 28 52.445 2.337 0.940 0.948 0.963 0.889 CB 1.596 28 residues pruned to eliminate duplicates U: 21 24.697 2.160 0.646 0.798 0.900 0.850 CB 1.329 21 residues pruned to eliminate duplicates V: 11 23.194 2.194 0.678 0.811 0.900 0.400 CB 1.689 8 residues pruned to eliminate duplicates W: 22 58.838 2.325 1.431 0.938 0.952 0.286 CB 1.659 22 residues pruned to eliminate duplicates X: 30 41.563 2.228 0.699 0.897 0.966 0.828 CB 1.512 30 residues pruned to eliminate duplicates Y: 17 23.939 2.049 0.618 0.779 0.875 0.625 CB 1.613 11 residues pruned to eliminate duplicates Z: 29 50.693 2.274 1.115 0.913 0.964 0.714 CB 1.463 29 residues pruned to eliminate duplicates Z: 30 43.548 2.197 0.760 0.915 0.966 0.828 CB 1.531 30 residues pruned to eliminate duplicates Z: 11 21.377 2.183 0.575 0.863 1.000 0.900 CA 1.443 11 residues pruned to eliminate duplicates Z: 11 29.100 2.249 1.106 0.887 0.900 0.500 CA 1.557 11 residues pruned to eliminate duplicates Z: 24 43.591 2.192 0.785 0.947 1.000 0.826 CA 1.606 24 residues pruned to eliminate duplicates Z: 9 14.882 2.003 0.735 0.680 0.875 0.375 CB 1.466 9 residues pruned to eliminate duplicates Z: 22 31.995 2.111 0.824 0.939 1.000 0.762 CB 1.260 21 residues pruned to eliminate duplicates Z: 12 22.391 2.123 0.780 0.843 0.909 0.636 CB 1.463 Z: 29 56.456 2.307 1.085 0.957 0.964 0.750 CB 1.578 29 residues pruned to eliminate duplicates Z: 11 21.688 2.138 0.912 0.842 0.900 0.600 CB 1.389 11 residues pruned to eliminate duplicates Z: 10 19.650 2.231 0.681 0.858 0.889 0.889 CB 1.447 10 residues pruned to eliminate duplicates Z: 30 53.431 2.248 1.189 0.918 0.966 0.759 CB 1.472 30 residues pruned to eliminate duplicates Z: 23 46.693 2.100 1.152 0.968 1.000 0.818 CB 1.500 Z: 23 41.233 2.160 0.835 0.962 1.000 1.000 CB 1.518 23 residues pruned to eliminate duplicates Z: 22 46.910 2.184 1.017 0.962 1.000 0.952 CB 1.589 23 residues pruned to eliminate duplicates Z: 28 45.334 2.307 0.727 0.915 0.963 0.815 CB 1.607 28 residues pruned to eliminate duplicates Z: 20 35.491 2.239 0.838 0.887 0.947 0.789 CB 1.505 20 residues pruned to eliminate duplicates Z: 24 47.529 2.220 1.031 0.941 1.000 0.826 CA 1.525 24 residues pruned to eliminate duplicates Z: 22 48.480 2.181 1.084 0.960 1.000 0.810 CB 1.594 22 residues pruned to eliminate duplicates Z: 26 55.294 2.346 1.063 0.947 0.960 0.520 CB 1.645 26 residues pruned to eliminate duplicates Z: 22 44.579 2.161 0.980 0.954 1.000 0.762 CA 1.564 22 residues pruned to eliminate duplicates Z: 22 51.258 2.339 0.995 0.941 1.000 0.857 CB 1.663 23 residues pruned to eliminate duplicates Z: 23 47.077 2.240 0.918 0.929 1.000 0.909 CB 1.636 23 residues pruned to eliminate duplicates Z: 23 44.175 2.279 0.826 0.932 1.000 0.818 CA 1.581 23 residues pruned to eliminate duplicates Z: 28 57.791 2.320 1.134 0.954 0.963 0.704 CB 1.604 28 residues pruned to eliminate duplicates Z: 22 32.159 2.122 0.846 0.944 1.000 0.810 CB 1.240 22 residues pruned to eliminate duplicates Z: 22 56.914 2.333 1.246 0.952 1.000 0.571 CB 1.632 22 residues pruned to eliminate duplicates Z: 29 49.446 2.244 1.137 0.914 0.964 0.643 CB 1.430 29 residues pruned to eliminate duplicates Z: 11 19.826 2.176 0.558 0.841 1.000 0.800 CA 1.379 11 residues pruned to eliminate duplicates Z: 12 27.646 2.136 0.640 0.929 1.000 0.909 CA 1.666 12 residues pruned to eliminate duplicates Z: 10 25.785 2.271 0.803 0.890 1.000 0.667 CB 1.510 10 residues pruned to eliminate duplicates Z: 28 41.014 2.291 0.744 0.903 0.926 0.815 CB 1.520 28 residues pruned to eliminate duplicates Z: 8 18.490 2.002 0.845 0.760 0.857 0.571 CB 1.751 8 residues pruned to eliminate duplicates Z: 11 22.834 2.028 0.677 0.794 1.000 0.700 CB 1.640 11 residues pruned to eliminate duplicates Z: 53 67.598 2.357 0.926 0.730 0.981 0.769 CB 1.711 53 residues pruned to eliminate duplicates Z: 27 50.258 2.314 1.018 0.953 0.962 0.692 CB 1.510 27 residues pruned to eliminate duplicates Z: 28 58.246 2.322 1.082 0.953 1.000 0.556 CB 1.595 28 residues pruned to eliminate duplicates Z: 26 58.319 2.341 1.155 0.953 0.960 0.400 CB 1.657 26 residues pruned to eliminate duplicates Z: 22 43.663 2.161 0.940 0.954 1.000 0.810 CA 1.563 22 residues pruned to eliminate duplicates Z: 21 30.367 2.161 0.753 0.883 0.900 0.650 CB 1.439 21 residues pruned to eliminate duplicates Z: 22 57.357 2.339 1.205 0.957 1.000 0.810 CA 1.666 22 residues pruned to eliminate duplicates Z: 24 46.832 2.240 0.943 0.933 0.957 0.870 CA 1.637 24 residues pruned to eliminate duplicates Z: 22 49.534 2.172 1.184 0.958 1.000 0.714 CB 1.563 22 residues pruned to eliminate duplicates Z: 8 25.667 2.295 1.057 0.743 1.000 0.571 CA 1.654 8 residues pruned to eliminate duplicates Z: 22 54.752 2.350 1.120 0.953 1.000 0.762 CB 1.650 22 residues pruned to eliminate duplicates Z: 21 32.368 2.214 0.809 0.936 0.950 0.800 CB 1.326 21 residues pruned to eliminate duplicates Z: 9 16.367 1.911 0.672 0.805 1.000 0.750 CB 1.388 9 residues pruned to eliminate duplicates Z: 24 50.138 2.212 1.083 0.963 1.000 0.913 CA 1.551 24 residues pruned to eliminate duplicates Z: 23 46.254 2.147 1.063 0.960 1.000 0.864 CB 1.525 23 residues pruned to eliminate duplicates Z: 63 70.721 2.313 0.949 0.795 0.968 0.742 CB 1.590 63 residues pruned to eliminate duplicates Z: 7 15.406 1.978 0.482 0.825 1.000 0.833 CB 1.618 7 residues pruned to eliminate duplicates Z: 28 54.829 2.270 1.057 0.920 0.963 0.667 CB 1.652 28 residues pruned to eliminate duplicates Z: 23 37.420 2.187 0.775 0.935 0.955 0.636 CA 1.501 23 residues pruned to eliminate duplicates Z: 21 39.007 2.207 1.029 0.957 1.000 0.900 CB 1.337 20 residues pruned to eliminate duplicates Z: 28 59.467 2.313 1.126 0.955 1.000 0.815 CB 1.599 28 residues pruned to eliminate duplicates Z: 8 25.155 2.264 0.978 0.798 1.000 0.857 CB 1.636 8 residues pruned to eliminate duplicates Z: 24 36.874 2.066 0.830 0.923 1.000 0.826 CB 1.429 24 residues pruned to eliminate duplicates Z: 27 49.939 2.360 0.740 0.945 1.000 0.808 CB 1.651 27 residues pruned to eliminate duplicates Z: 8 15.194 1.848 0.630 0.877 0.857 0.714 CA 1.616 8 residues pruned to eliminate duplicates Z: 57 61.331 2.289 0.936 0.701 0.929 0.804 CB 1.658 57 residues pruned to eliminate duplicates Z: 8 12.517 1.759 0.551 0.797 1.000 0.857 CB 1.337 8 residues pruned to eliminate duplicates Z: 23 45.967 2.166 1.020 0.966 1.000 0.909 CB 1.529 22 residues pruned to eliminate duplicates Z: 16 30.858 1.970 0.774 0.926 1.000 0.933 CB 1.599 17 residues pruned to eliminate duplicates Z: 9 7.809 1.789 0.184 0.825 0.750 0.250 CB 1.312 9 residues pruned to eliminate duplicates Z: 19 24.299 2.185 0.566 0.936 1.000 0.722 CB 1.166 19 residues pruned to eliminate duplicates Z: 80 69.845 2.264 0.945 0.709 0.937 0.595 CB 1.576 80 residues pruned to eliminate duplicates Z: 20 38.123 2.253 0.830 0.926 1.000 0.737 CB 1.488 20 residues pruned to eliminate duplicates Z: 20 39.969 2.220 0.951 0.937 1.000 0.737 CB 1.474 20 residues pruned to eliminate duplicates Z: 22 32.306 2.138 0.758 0.931 1.000 0.714 CB 1.311 22 residues pruned to eliminate duplicates Z: 22 36.947 2.111 0.854 0.921 0.952 0.857 CA 1.522 22 residues pruned to eliminate duplicates Z: 6 5.133 1.557 0.322 0.630 0.800 0.800 CB 1.233 6 residues pruned to eliminate duplicates Z: 22 38.902 2.165 0.732 0.964 1.000 0.952 CA 1.546 22 residues pruned to eliminate duplicates Z: 10 25.839 2.178 0.990 0.910 0.889 0.444 CB 1.585 10 residues pruned to eliminate duplicates Z: 23 38.907 2.086 0.790 0.955 1.000 0.864 CA 1.527 23 residues pruned to eliminate duplicates Z: 20 38.864 2.225 1.051 0.936 0.947 0.526 CB 1.436 20 residues pruned to eliminate duplicates Z: 20 36.662 2.235 1.091 0.951 0.947 0.684 CB 1.309 21 residues pruned to eliminate duplicates Z: 28 56.648 2.317 1.119 0.951 0.963 0.593 CB 1.588 28 residues pruned to eliminate duplicates Z: 14 19.743 1.908 0.842 0.887 0.923 0.769 CB 1.217 14 residues pruned to eliminate duplicates Z: 21 39.514 2.195 0.734 0.959 1.000 0.950 CB 1.591 21 residues pruned to eliminate duplicates Z: 11 20.035 2.023 0.658 0.763 1.000 0.400 CB 1.495 11 residues pruned to eliminate duplicates Z: 19 34.578 2.255 0.838 0.936 1.000 0.611 CB 1.370 19 residues pruned to eliminate duplicates Z: 46 51.595 2.216 1.014 0.697 0.933 0.533 CB 1.543 41 residues pruned to eliminate duplicates Z: 9 26.890 2.318 0.828 0.846 1.000 0.875 CB 1.666 9 residues pruned to eliminate duplicates Z: 22 32.940 2.205 0.803 0.893 1.000 0.762 CB 1.298 22 residues pruned to eliminate duplicates Z: 24 39.508 2.085 0.831 0.945 1.000 1.000 CB 1.493 24 residues pruned to eliminate duplicates Z: 22 39.865 2.167 0.762 0.958 1.000 0.905 CA 1.563 22 residues pruned to eliminate duplicates Z: 30 36.889 2.177 0.646 0.854 0.966 0.793 CB 1.462 30 residues pruned to eliminate duplicates Z: 20 39.554 2.270 0.984 0.910 0.947 0.632 CB 1.508 20 residues pruned to eliminate duplicates Z: 23 34.325 2.101 0.616 0.946 1.000 0.864 CA 1.491 23 residues pruned to eliminate duplicates Z: 22 28.145 2.091 0.678 0.934 1.000 0.667 CB 1.221 22 residues pruned to eliminate duplicates Z: 20 38.552 2.263 0.858 0.875 1.000 0.842 CB 1.530 20 residues pruned to eliminate duplicates Z: 22 61.702 2.335 1.399 0.962 1.000 0.762 CB 1.644 22 residues pruned to eliminate duplicates Z: 22 39.425 2.173 0.691 0.951 1.000 0.905 CB 1.614 22 residues pruned to eliminate duplicates Z: 22 61.606 2.278 1.488 0.951 1.000 0.571 CB 1.635 22 residues pruned to eliminate duplicates Z: 20 35.435 2.211 0.909 0.897 0.947 0.526 CB 1.455 20 residues pruned to eliminate duplicates Z: 24 45.861 2.169 0.997 0.934 1.000 0.565 CB 1.539 24 residues pruned to eliminate duplicates Z: 24 43.227 2.070 1.091 0.923 1.000 0.696 CB 1.463 24 residues pruned to eliminate duplicates Z: 19 40.963 2.304 1.086 0.950 0.944 0.556 CB 1.467 19 residues pruned to eliminate duplicates Z: 20 36.045 2.181 0.865 0.841 1.000 0.579 CB 1.516 20 residues pruned to eliminate duplicates Z: 17 21.665 2.055 0.882 0.512 0.938 0.625 CB 1.476 17 residues pruned to eliminate duplicates Z: 8 9.240 1.741 0.582 0.686 0.857 0.571 CB 1.248 8 residues pruned to eliminate duplicates Z: 22 36.040 2.142 0.666 0.952 1.000 1.000 CB 1.518 22 residues pruned to eliminate duplicates Z: 22 32.410 2.155 0.983 0.885 0.905 0.619 CB 1.321 22 residues pruned to eliminate duplicates Z: 24 42.303 2.183 0.845 0.940 0.913 0.913 CA 1.666 24 residues pruned to eliminate duplicates Z: 23 49.981 2.153 1.228 0.959 1.000 0.636 CB 1.523 23 residues pruned to eliminate duplicates Z: 22 34.781 2.132 0.982 0.944 0.952 0.667 CB 1.306 22 residues pruned to eliminate duplicates Z: 22 31.723 2.134 0.734 0.951 1.000 0.762 CB 1.290 21 residues pruned to eliminate duplicates Z: 22 35.155 2.135 0.626 0.948 1.000 1.000 CA 1.527 22 residues pruned to eliminate duplicates Z: 8 6.987 1.927 0.263 0.743 0.571 0.286 CA 1.528 8 residues pruned to eliminate duplicates Z: 15 19.730 2.063 0.354 0.919 0.929 0.929 CB 1.433 15 residues pruned to eliminate duplicates Z: 23 45.860 2.239 0.845 0.939 1.000 0.955 CB 1.644 23 residues pruned to eliminate duplicates Z: 21 31.395 2.210 0.706 0.945 1.000 0.800 CB 1.288 21 residues pruned to eliminate duplicates Z: 23 41.856 2.143 0.863 0.955 1.000 0.955 CB 1.536 23 residues pruned to eliminate duplicates Z: 23 45.950 2.238 1.090 0.922 0.909 0.545 CB 1.621 23 residues pruned to eliminate duplicates Z: 52 57.379 2.254 0.958 0.715 0.922 0.725 CB 1.626 52 residues pruned to eliminate duplicates Z: 23 50.366 2.223 1.301 0.912 0.955 0.409 CB 1.558 23 residues pruned to eliminate duplicates Z: 22 28.282 2.066 0.717 0.950 1.000 0.857 CB 1.200 22 residues pruned to eliminate duplicates Z: 22 28.585 2.130 0.786 0.931 0.952 0.857 CB 1.203 22 residues pruned to eliminate duplicates Z: 16 28.743 2.310 1.034 0.639 0.867 0.533 CA 1.601 16 residues pruned to eliminate duplicates Z: 23 45.033 2.152 1.104 0.959 1.000 0.727 CB 1.453 23 residues pruned to eliminate duplicates Z: 13 15.841 1.994 0.722 0.607 0.833 0.750 CA 1.445 13 residues pruned to eliminate duplicates Z: 9 11.370 1.720 0.562 0.789 1.000 0.750 CB 1.161 9 residues pruned to eliminate duplicates Z: 10 13.053 1.921 0.814 0.791 0.889 0.667 CA 1.088 10 residues pruned to eliminate duplicates Z: 61 65.303 2.217 1.084 0.703 0.983 0.567 CB 1.543 62 residues pruned to eliminate duplicates Z: 21 30.673 2.039 0.931 0.902 0.950 0.400 CB 1.308 21 residues pruned to eliminate duplicates Z: 14 16.942 2.082 0.678 0.672 0.846 0.692 CA 1.357 14 residues pruned to eliminate duplicates Z: 11 16.270 2.110 0.250 0.896 1.000 1.000 CB 1.398 11 residues pruned to eliminate duplicates Z: 20 30.133 2.206 0.712 0.940 1.000 0.895 CB 1.271 20 residues pruned to eliminate duplicates Z: 7 5.873 1.525 0.416 0.476 1.000 0.500 CB 1.138 7 residues pruned to eliminate duplicates Z: 30 40.526 2.134 0.931 0.895 0.966 0.724 CB 1.356 30 residues pruned to eliminate duplicates Z: 23 48.653 2.254 1.072 0.913 0.955 0.773 CB 1.647 23 residues pruned to eliminate duplicates Z: 23 35.165 2.055 0.765 0.941 1.000 0.864 CB 1.435 23 residues pruned to eliminate duplicates Z: 22 33.932 2.145 0.810 0.949 1.000 0.714 CB 1.316 22 residues pruned to eliminate duplicates Z: 74 73.119 2.301 1.007 0.702 0.945 0.575 CB 1.631 75 residues pruned to eliminate duplicates Z: 22 26.590 2.073 0.869 0.895 0.952 0.571 CB 1.128 22 residues pruned to eliminate duplicates Z: 41 48.186 2.273 1.118 0.689 0.900 0.525 CB 1.479 41 residues pruned to eliminate duplicates Z: 29 45.059 2.254 0.769 0.926 0.964 0.714 CB 1.554 29 residues pruned to eliminate duplicates Z: 22 41.812 2.232 0.927 0.932 0.952 0.810 CB 1.556 22 residues pruned to eliminate duplicates Z: 24 43.786 2.197 0.935 0.944 1.000 0.826 CB 1.488 24 residues pruned to eliminate duplicates Z: 24 42.585 2.122 1.012 0.888 0.957 0.696 CB 1.566 24 residues pruned to eliminate duplicates Z: 105 85.126 2.237 1.079 0.756 0.942 0.548 CB 1.516 105 residues pruned to eliminate duplicates Z: 31 31.076 2.322 0.709 0.507 0.900 0.667 CB 1.578 31 residues pruned to eliminate duplicates Z: 12 20.696 2.203 0.867 0.460 1.000 0.636 CB 1.581 12 residues pruned to eliminate duplicates Z: 46 46.384 2.160 0.963 0.617 0.956 0.467 CB 1.529 46 residues pruned to eliminate duplicates Z: 8 17.651 2.247 0.841 0.772 0.857 0.714 CB 1.479 8 residues pruned to eliminate duplicates Z: 20 32.792 2.215 0.744 0.917 1.000 0.632 CB 1.374 20 residues pruned to eliminate duplicates Z: 50 56.240 2.226 0.999 0.724 0.959 0.633 CB 1.537 50 residues pruned to eliminate duplicates Z: 87 64.121 2.199 0.885 0.670 0.942 0.651 CB 1.512 87 residues pruned to eliminate duplicates Z: 23 38.932 2.217 0.563 0.929 1.000 0.909 CA 1.676 23 residues pruned to eliminate duplicates Z: 30 37.655 2.148 0.911 0.671 0.931 0.690 CB 1.563 30 residues pruned to eliminate duplicates Z: 21 31.261 2.169 0.985 0.924 0.950 0.500 CB 1.200 21 residues pruned to eliminate duplicates Z: 20 35.572 2.192 1.155 0.594 1.000 0.684 CB 1.579 20 residues pruned to eliminate duplicates Z: 18 26.782 2.104 0.808 0.908 1.000 0.706 CB 1.213 18 residues pruned to eliminate duplicates Z: 80 74.598 2.280 0.922 0.737 0.975 0.608 CB 1.588 80 residues pruned to eliminate duplicates Z: 27 56.316 2.231 1.162 0.956 0.962 0.538 CB 1.635 27 residues pruned to eliminate duplicates Z: 20 37.839 2.233 0.765 0.942 1.000 0.842 CB 1.528 20 residues pruned to eliminate duplicates Z: 63 63.145 2.228 1.064 0.724 0.919 0.629 CB 1.550 63 residues pruned to eliminate duplicates Z: 140 107.605 2.248 1.123 0.752 0.971 0.655 CB 1.574 140 residues pruned to eliminate duplicates Z: 59 59.421 2.284 0.718 0.789 0.948 0.724 CB 1.627 59 residues pruned to eliminate duplicates Z: 30 44.391 2.333 0.994 0.649 0.897 0.517 CA 1.720 30 residues pruned to eliminate duplicates Z: 20 22.169 2.059 0.856 0.500 0.895 0.579 CB 1.487 20 residues pruned to eliminate duplicates Z: 21 43.302 2.194 1.087 0.913 1.000 0.650 CB 1.496 21 residues pruned to eliminate duplicates Z: 23 51.199 2.148 1.296 0.950 1.000 0.682 CB 1.526 23 residues pruned to eliminate duplicates Z: 10 12.381 1.790 0.429 0.817 0.889 0.444 CA 1.378 10 residues pruned to eliminate duplicates Z: 37 54.373 2.298 1.158 0.685 0.944 0.722 CB 1.633 37 residues pruned to eliminate duplicates Z: 23 57.840 2.243 1.317 0.940 1.000 0.773 CB 1.647 23 residues pruned to eliminate duplicates Z: 28 47.755 2.308 0.638 0.950 1.000 0.926 CB 1.676 28 residues pruned to eliminate duplicates Z: 7 10.223 1.738 0.974 0.625 1.000 0.833 CA 1.081 7 residues pruned to eliminate duplicates Z: 6 2.676 1.371 0.523 0.258 0.800 0.200 CB 0.945 Z: 26 46.860 2.294 0.927 0.944 0.960 0.760 CB 1.530 26 residues pruned to eliminate duplicates Z: 24 54.998 2.292 1.250 0.827 1.000 0.652 CB 1.676 24 residues pruned to eliminate duplicates Z: 18 43.325 2.245 1.176 0.933 1.000 0.706 CB 1.501 18 residues pruned to eliminate duplicates Z: 43 34.750 2.013 0.825 0.660 0.881 0.762 CB 1.427 43 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 23 47.064 2.176 1.085 0.959 1.000 0.909 CB 1.516 23 residues pruned to eliminate duplicates Z: 110 89.489 2.262 0.918 0.754 0.982 0.780 CB 1.604 110 residues pruned to eliminate duplicates Z: 113 80.791 2.225 0.868 0.720 0.964 0.732 CB 1.561 113 residues pruned to eliminate duplicates Z: 23 42.944 2.157 0.990 0.967 1.000 0.909 CB 1.453 23 residues pruned to eliminate duplicates Z: 24 41.903 2.108 0.993 0.880 1.000 0.870 CB 1.506 24 residues pruned to eliminate duplicates Z: 22 46.608 2.197 0.982 0.951 1.000 0.905 CB 1.609 22 residues pruned to eliminate duplicates Z: 28 33.979 1.946 1.114 0.778 0.889 0.667 CB 1.399 28 residues pruned to eliminate duplicates Z: 25 40.529 2.065 1.007 0.898 1.000 0.875 CB 1.428 25 residues pruned to eliminate duplicates Z: 107 88.482 2.270 0.903 0.761 0.972 0.755 CB 1.624 107 residues pruned to eliminate duplicates Z: 24 42.407 2.129 1.211 0.875 0.957 0.783 CB 1.429 24 residues pruned to eliminate duplicates Z: 22 52.086 2.191 1.253 0.964 1.000 0.905 CB 1.572 22 residues pruned to eliminate duplicates Z: 107 85.305 2.269 0.864 0.764 0.972 0.802 CB 1.595 107 residues pruned to eliminate duplicates Z: 104 92.124 2.291 0.957 0.769 0.981 0.757 CB 1.627 104 residues pruned to eliminate duplicates Z: 24 46.568 2.100 1.236 0.909 1.000 0.609 CB 1.468 24 residues pruned to eliminate duplicates Z: 26 42.648 2.025 1.131 0.855 1.000 0.680 CB 1.459 26 residues pruned to eliminate duplicates Z: 25 40.779 2.084 1.075 0.865 0.958 0.792 CB 1.471 25 residues pruned to eliminate duplicates Z: 151 95.879 2.253 0.937 0.731 0.920 0.667 CB 1.584 151 residues pruned to eliminate duplicates Z: 71 72.076 2.265 1.007 0.773 0.943 0.657 CB 1.578 24 residues pruned to eliminate duplicates Z: 23 50.364 2.151 1.287 0.960 1.000 0.682 CB 1.494 23 residues pruned to eliminate duplicates Z: 106 86.780 2.269 0.895 0.768 0.971 0.762 CB 1.599 106 residues pruned to eliminate duplicates Z: 75 79.288 2.294 1.027 0.767 0.946 0.676 CB 1.654 75 residues pruned to eliminate duplicates Z: 114 84.712 2.246 0.896 0.737 0.947 0.602 CB 1.597 114 residues pruned to eliminate duplicates Z: 76 77.193 2.275 1.015 0.771 0.947 0.733 CB 1.616 76 residues pruned to eliminate duplicates Z: 153 95.205 2.294 0.831 0.741 0.921 0.664 CB 1.608 153 residues pruned to eliminate duplicates Z: 107 85.600 2.269 0.934 0.761 0.953 0.660 CB 1.578 107 residues pruned to eliminate duplicates Z: 85 75.686 2.307 0.872 0.725 0.976 0.679 CB 1.600 85 residues pruned to eliminate duplicates Z: 58 59.411 2.269 0.830 0.707 0.947 0.684 CB 1.657 58 residues pruned to eliminate duplicates Z: 54 62.150 2.348 0.821 0.716 0.962 0.811 CB 1.707 54 residues pruned to eliminate duplicates Z: 55 60.193 2.316 0.776 0.725 0.963 0.796 CB 1.688 55 residues pruned to eliminate duplicates Z: 75 74.799 2.265 0.990 0.732 0.959 0.689 CB 1.631 75 residues pruned to eliminate duplicates Z: 85 71.986 2.296 0.842 0.708 0.940 0.714 CB 1.634 85 residues pruned to eliminate duplicates Z: 81 73.227 2.329 0.825 0.731 0.963 0.700 CB 1.626 81 residues pruned to eliminate duplicates Z: 83 74.138 2.319 0.754 0.742 0.976 0.744 CB 1.661 83 residues pruned to eliminate duplicates Z: 81 76.739 2.325 0.932 0.730 0.950 0.738 CB 1.634 81 residues pruned to eliminate duplicates Z: 104 77.059 2.216 0.882 0.718 0.951 0.699 CB 1.571 104 residues pruned to eliminate duplicates Z: 85 73.433 2.302 0.821 0.718 0.976 0.738 CB 1.607 85 residues pruned to eliminate duplicates Z: 21 29.075 2.219 0.908 0.544 0.950 0.750 CB 1.548 21 residues pruned to eliminate duplicates Z: 60 56.771 2.248 0.797 0.677 0.949 0.729 CB 1.639 60 residues pruned to eliminate duplicates Z: 103 87.177 2.295 0.931 0.769 0.951 0.735 CB 1.614 103 residues pruned to eliminate duplicates Z: 53 61.445 2.350 0.754 0.733 0.981 0.808 CB 1.709 53 residues pruned to eliminate duplicates Z: 83 68.309 2.276 0.789 0.716 0.939 0.707 CB 1.622 83 residues pruned to eliminate duplicates Z: 104 82.466 2.256 0.946 0.743 0.942 0.612 CB 1.581 104 residues pruned to eliminate duplicates Z: 81 76.048 2.329 0.884 0.737 0.963 0.825 CB 1.628 81 residues pruned to eliminate duplicates Z: 92 75.883 2.284 0.843 0.721 0.967 0.681 CB 1.601 92 residues pruned to eliminate duplicates Z: 132 85.637 2.284 0.796 0.711 0.939 0.733 CB 1.604 132 residues pruned to eliminate duplicates Z: 80 76.446 2.333 0.885 0.731 0.962 0.709 CB 1.651 80 residues pruned to eliminate duplicates Z: 81 74.886 2.330 0.867 0.738 0.950 0.725 CB 1.637 81 residues pruned to eliminate duplicates Z: 89 59.682 2.182 0.762 0.674 0.920 0.648 CB 1.531 89 residues pruned to eliminate duplicates Z: 57 62.621 2.324 0.776 0.801 0.946 0.714 CB 1.647 57 residues pruned to eliminate duplicates Z: 84 77.012 2.312 0.939 0.735 0.952 0.651 CB 1.603 84 residues pruned to eliminate duplicates Z: 54 60.004 2.336 0.771 0.728 0.962 0.811 CB 1.686 54 residues pruned to eliminate duplicates Z: 107 83.275 2.275 0.833 0.766 0.962 0.660 CB 1.593 107 residues pruned to eliminate duplicates Z: 55 64.647 2.348 0.891 0.733 0.944 0.704 CB 1.701 55 residues pruned to eliminate duplicates Z: 39 53.065 2.267 0.872 0.779 0.947 0.658 CB 1.675 39 residues pruned to eliminate duplicates Z: 111 83.390 2.273 0.923 0.763 0.918 0.564 CB 1.568 111 residues pruned to eliminate duplicates Z: 85 76.230 2.308 0.932 0.729 0.952 0.607 CB 1.594 85 residues pruned to eliminate duplicates Z: 109 78.174 2.279 0.848 0.729 0.917 0.657 CB 1.585 109 residues pruned to eliminate duplicates Z: 104 84.712 2.283 0.955 0.765 0.932 0.621 CB 1.586 104 residues pruned to eliminate duplicates Z: 66 71.679 2.323 0.912 0.789 0.969 0.677 CB 1.602 66 residues pruned to eliminate duplicates Z: 53 60.171 2.309 0.914 0.721 0.923 0.635 CB 1.675 53 residues pruned to eliminate duplicates Z: 80 74.925 2.316 0.888 0.742 0.949 0.633 CB 1.635 80 residues pruned to eliminate duplicates Z: 56 63.528 2.319 0.898 0.723 0.945 0.600 CB 1.684 56 residues pruned to eliminate duplicates Z: 85 76.034 2.300 0.960 0.725 0.940 0.583 CB 1.597 85 residues pruned to eliminate duplicates Z: 61 62.032 2.266 0.865 0.753 0.933 0.650 CB 1.620 61 residues pruned to eliminate duplicates Z: 64 64.122 2.293 0.893 0.783 0.921 0.587 CB 1.575 64 residues pruned to eliminate duplicates Z: 90 73.608 2.301 0.847 0.726 0.921 0.663 CB 1.625 90 residues pruned to eliminate duplicates Z: 84 73.331 2.310 0.875 0.731 0.940 0.675 CB 1.607 84 residues pruned to eliminate duplicates Z: 67 70.130 2.307 0.886 0.748 0.970 0.682 CB 1.639 67 residues pruned to eliminate duplicates Z: 62 58.432 2.253 0.931 0.764 0.918 0.574 CB 1.482 62 residues pruned to eliminate duplicates Z: 112 84.084 2.271 0.880 0.750 0.946 0.622 CB 1.581 112 residues pruned to eliminate duplicates Z: 64 65.618 2.260 0.932 0.790 0.937 0.603 CB 1.568 64 residues pruned to eliminate duplicates Z: 81 68.764 2.295 0.851 0.711 0.925 0.650 CB 1.616 81 residues pruned to eliminate duplicates Z: 63 66.699 2.317 0.915 0.798 0.935 0.597 CB 1.571 63 residues pruned to eliminate duplicates Z: 68 70.795 2.302 0.969 0.736 0.970 0.731 CB 1.592 68 residues pruned to eliminate duplicates Z: 91 77.438 2.291 0.880 0.699 0.956 0.633 CB 1.654 91 residues pruned to eliminate duplicates Z: 76 71.756 2.281 0.963 0.733 0.920 0.653 CB 1.632 76 residues pruned to eliminate duplicates Z: 103 87.240 2.267 1.028 0.758 0.951 0.647 CB 1.571 103 residues pruned to eliminate duplicates Z: 82 73.893 2.299 0.885 0.720 0.963 0.691 CB 1.612 82 residues pruned to eliminate duplicates Z: 110 80.323 2.254 0.962 0.711 0.917 0.624 CB 1.566 110 residues pruned to eliminate duplicates Z: 63 69.557 2.315 0.907 0.804 0.952 0.694 CB 1.613 63 residues pruned to eliminate duplicates Z: 81 82.007 2.331 0.951 0.750 0.988 0.650 CB 1.634 81 residues pruned to eliminate duplicates Z: 117 92.435 2.324 0.959 0.737 0.940 0.655 CB 1.623 117 residues pruned to eliminate duplicates Z: 63 71.599 2.320 1.012 0.792 0.935 0.645 CB 1.612 63 residues pruned to eliminate duplicates Z: 56 70.412 2.338 0.977 0.809 0.982 0.564 CB 1.599 56 residues pruned to eliminate duplicates Z: 80 74.347 2.320 0.889 0.738 0.962 0.646 CB 1.602 80 residues pruned to eliminate duplicates Z: 56 67.374 2.312 0.968 0.805 0.964 0.691 CB 1.588 56 residues pruned to eliminate duplicates Z: 91 76.184 2.295 0.962 0.712 0.911 0.567 CB 1.616 91 residues pruned to eliminate duplicates Z: 90 78.487 2.308 0.934 0.745 0.921 0.517 CB 1.625 90 residues pruned to eliminate duplicates Z: 143 102.420 2.311 0.940 0.739 0.958 0.718 CB 1.616 143 residues pruned to eliminate duplicates Z: 66 73.532 2.300 1.051 0.784 0.969 0.600 CB 1.554 66 residues pruned to eliminate duplicates Z: 152 103.459 2.277 1.023 0.714 0.940 0.629 CB 1.600 152 residues pruned to eliminate duplicates Z: 63 76.812 2.317 1.012 0.798 1.000 0.726 CB 1.613 63 residues pruned to eliminate duplicates Z: 84 76.373 2.298 0.999 0.722 0.940 0.602 CB 1.589 84 residues pruned to eliminate duplicates Z: 132 95.727 2.319 0.947 0.715 0.939 0.649 CB 1.624 132 residues pruned to eliminate duplicates Z: 91 83.411 2.300 1.004 0.714 0.967 0.600 CB 1.625 91 residues pruned to eliminate duplicates Z: 107 89.043 2.264 1.058 0.757 0.953 0.623 CB 1.550 107 residues pruned to eliminate duplicates Z: 106 90.443 2.280 1.026 0.772 0.952 0.552 CB 1.577 106 residues pruned to eliminate duplicates Z: 154 111.712 2.298 1.049 0.748 0.948 0.647 CB 1.621 154 residues pruned to eliminate duplicates Z: 81 74.664 2.304 0.948 0.725 0.950 0.650 CB 1.598 81 residues pruned to eliminate duplicates Z: 92 76.072 2.282 0.903 0.708 0.945 0.582 CB 1.609 92 residues pruned to eliminate duplicates Z: 68 65.788 2.239 0.964 0.722 0.955 0.567 CB 1.566 68 residues pruned to eliminate duplicates Z: 136 95.645 2.304 0.919 0.713 0.956 0.667 CB 1.606 136 residues pruned to eliminate duplicates Z: 111 86.402 2.270 0.960 0.757 0.936 0.636 CB 1.573 111 residues pruned to eliminate duplicates Z: 89 66.354 2.230 0.895 0.702 0.909 0.568 CB 1.531 89 residues pruned to eliminate duplicates Z: 9 13.580 2.096 0.473 0.604 0.875 0.500 CB 1.609 9 residues pruned to eliminate duplicates Z: 50 53.620 2.287 0.871 0.638 0.918 0.592 CB 1.713 50 residues pruned to eliminate duplicates Z: 59 53.555 2.230 0.817 0.666 0.914 0.690 CB 1.629 59 residues pruned to eliminate duplicates Z: 50 52.953 2.293 0.837 0.674 0.898 0.694 CB 1.703 50 residues pruned to eliminate duplicates Z: 42 54.176 2.325 0.840 0.721 0.951 0.756 CB 1.702 42 residues pruned to eliminate duplicates Z: 110 90.326 2.321 0.960 0.735 0.936 0.706 CB 1.646 110 residues pruned to eliminate duplicates Z: 44 51.808 2.283 0.950 0.680 0.930 0.721 CB 1.616 44 residues pruned to eliminate duplicates Z: 51 51.207 2.265 0.864 0.649 0.920 0.620 CB 1.622 51 residues pruned to eliminate duplicates Z: 43 58.070 2.322 0.974 0.702 0.976 0.738 CB 1.666 43 residues pruned to eliminate duplicates Z: 48 48.599 2.255 1.009 0.641 0.894 0.702 CB 1.534 48 residues pruned to eliminate duplicates Z: 42 58.517 2.326 1.076 0.748 0.927 0.756 CB 1.637 42 residues pruned to eliminate duplicates Z: 41 58.621 2.350 1.058 0.740 0.950 0.700 CB 1.626 41 residues pruned to eliminate duplicates Z: 42 51.588 2.334 0.919 0.712 0.902 0.732 CB 1.644 42 residues pruned to eliminate duplicates Z: 44 60.369 2.292 1.147 0.707 0.953 0.581 CB 1.626 44 residues pruned to eliminate duplicates Z: 42 62.000 2.362 1.163 0.745 0.951 0.634 CB 1.600 42 residues pruned to eliminate duplicates Z: 42 62.309 2.360 1.109 0.741 0.976 0.561 CB 1.615 42 residues pruned to eliminate duplicates Z: 153 103.202 2.253 1.092 0.710 0.947 0.559 CB 1.549 153 residues pruned to eliminate duplicates Z: 50 47.522 2.213 1.006 0.664 0.898 0.592 CB 1.463 50 residues pruned to eliminate duplicates Z: 42 58.472 2.317 1.136 0.744 0.927 0.585 CB 1.601 42 residues pruned to eliminate duplicates Z: 28 52.895 2.207 1.273 0.773 0.963 0.741 CB 1.655 28 residues pruned to eliminate duplicates Z: 52 59.971 2.301 1.070 0.708 0.922 0.588 CB 1.583 52 residues pruned to eliminate duplicates Z: 44 59.991 2.294 1.080 0.686 0.953 0.721 CB 1.696 44 residues pruned to eliminate duplicates Z: 57 64.205 2.263 1.099 0.756 0.946 0.536 CB 1.520 57 residues pruned to eliminate duplicates Z: 42 60.702 2.322 1.134 0.733 0.951 0.659 CB 1.630 42 residues pruned to eliminate duplicates Z: 42 59.893 2.324 1.188 0.742 0.927 0.610 CB 1.598 42 residues pruned to eliminate duplicates Z: 112 95.576 2.310 1.076 0.740 0.946 0.676 CB 1.613 112 residues pruned to eliminate duplicates Z: 106 91.911 2.280 1.094 0.755 0.952 0.552 CB 1.571 106 residues pruned to eliminate duplicates Z: 52 58.618 2.271 1.107 0.662 0.902 0.549 CB 1.637 52 residues pruned to eliminate duplicates Z: 129 98.241 2.288 1.064 0.700 0.945 0.562 CB 1.621 129 residues pruned to eliminate duplicates Z: 54 57.119 2.249 1.000 0.694 0.925 0.642 CB 1.581 54 residues pruned to eliminate duplicates Z: 43 64.095 2.351 1.220 0.749 0.952 0.643 CB 1.593 43 residues pruned to eliminate duplicates Z: 43 57.834 2.304 1.150 0.705 0.952 0.619 CB 1.570 43 residues pruned to eliminate duplicates Z: 133 96.682 2.288 0.984 0.693 0.970 0.629 CB 1.602 133 residues pruned to eliminate duplicates Z: 41 61.924 2.363 1.170 0.738 0.950 0.625 CB 1.623 41 residues pruned to eliminate duplicates Z: 44 57.007 2.235 1.223 0.697 0.977 0.605 CB 1.496 44 residues pruned to eliminate duplicates Z: 43 54.646 2.299 1.120 0.712 0.905 0.714 CB 1.578 43 residues pruned to eliminate duplicates Z: 40 56.468 2.281 1.133 0.710 0.949 0.513 CB 1.619 40 residues pruned to eliminate duplicates Z: 44 58.543 2.282 1.213 0.722 0.930 0.605 CB 1.554 44 residues pruned to eliminate duplicates Z: 153 108.605 2.281 1.048 0.747 0.954 0.638 CB 1.585 153 residues pruned to eliminate duplicates Z: 108 89.397 2.313 1.056 0.732 0.935 0.561 CB 1.579 108 residues pruned to eliminate duplicates Z: 43 59.009 2.325 1.132 0.706 0.929 0.595 CB 1.640 43 residues pruned to eliminate duplicates Z: 44 58.878 2.293 1.172 0.688 0.930 0.581 CB 1.630 44 residues pruned to eliminate duplicates Z: 55 57.841 2.237 0.963 0.757 0.926 0.630 CB 1.540 55 residues pruned to eliminate duplicates Z: 132 93.752 2.280 1.023 0.711 0.931 0.580 CB 1.575 132 residues pruned to eliminate duplicates Z: 52 80.084 2.365 1.232 0.829 0.980 0.725 CB 1.631 52 residues pruned to eliminate duplicates Z: 138 98.666 2.263 1.086 0.713 0.934 0.650 CB 1.576 138 residues pruned to eliminate duplicates Z: 87 81.207 2.289 1.056 0.716 0.965 0.605 CB 1.586 87 residues pruned to eliminate duplicates Z: 13 23.303 2.084 1.016 0.760 0.833 0.667 CA 1.524 13 residues pruned to eliminate duplicates Z: 51 60.611 2.274 1.071 0.721 0.880 0.740 CB 1.694 51 residues pruned to eliminate duplicates Z: 13 26.984 2.085 1.123 0.757 0.917 0.750 CA 1.527 13 residues pruned to eliminate duplicates Z: 56 72.706 2.301 1.228 0.773 0.927 0.782 CB 1.620 56 residues pruned to eliminate duplicates Z: 15 19.091 1.971 1.034 0.687 0.786 0.643 CA 1.365 15 residues pruned to eliminate duplicates Z: 13 29.316 2.041 1.159 0.761 1.000 0.833 CA 1.523 13 residues pruned to eliminate duplicates Z: 52 58.017 2.265 1.143 0.732 0.863 0.627 CB 1.575 52 residues pruned to eliminate duplicates Z: 14 23.693 2.050 1.151 0.694 0.846 0.692 CB 1.476 14 residues pruned to eliminate duplicates Z: 15 17.493 1.960 1.150 0.643 0.714 0.643 CA 1.359 15 residues pruned to eliminate duplicates Z: 37 39.484 2.123 1.024 0.713 0.889 0.639 CB 1.421 37 residues pruned to eliminate duplicates Z: 37 35.744 2.134 0.887 0.710 0.889 0.722 CB 1.375 37 residues pruned to eliminate duplicates Z: 27 24.012 2.014 0.898 0.648 0.846 0.769 CB 1.269 27 residues pruned to eliminate duplicates Z: 36 36.972 2.139 0.849 0.733 0.914 0.771 CB 1.402 36 residues pruned to eliminate duplicates Z: 28 24.177 2.022 0.769 0.695 0.889 0.741 CB 1.224 28 residues pruned to eliminate duplicates Z: 24 31.688 2.142 0.842 0.829 0.957 0.783 CB 1.317 24 residues pruned to eliminate duplicates Z: 23 33.124 2.195 1.004 0.828 0.955 0.773 CB 1.267 23 residues pruned to eliminate duplicates Z: 26 26.382 2.092 0.730 0.760 0.960 0.800 CB 1.205 26 residues pruned to eliminate duplicates Z: 24 29.264 2.138 0.817 0.763 0.957 0.609 CB 1.300 24 residues pruned to eliminate duplicates Z: 25 28.777 2.118 0.797 0.795 0.958 0.708 CB 1.243 25 residues pruned to eliminate duplicates Z: 24 30.838 2.140 0.839 0.829 0.957 0.739 CB 1.286 24 residues pruned to eliminate duplicates Z: 24 30.180 2.133 0.811 0.812 0.957 0.696 CB 1.298 24 residues pruned to eliminate duplicates Z: 26 28.753 2.090 0.850 0.755 0.960 0.600 CB 1.234 26 residues pruned to eliminate duplicates Z: 24 31.604 2.143 0.922 0.785 0.957 0.652 CB 1.302 24 residues pruned to eliminate duplicates Z: 24 32.515 2.156 0.940 0.822 0.957 0.739 CB 1.282 24 residues pruned to eliminate duplicates Z: 24 32.451 2.135 0.906 0.816 0.957 0.696 CB 1.321 24 residues pruned to eliminate duplicates Z: 23 35.128 2.192 1.027 0.819 0.955 0.682 CB 1.338 23 residues pruned to eliminate duplicates Z: 19 35.777 2.235 1.027 0.954 1.000 0.667 CB 1.280 19 residues pruned to eliminate duplicates Z: 24 32.860 2.137 0.945 0.828 0.957 0.652 CB 1.297 24 residues pruned to eliminate duplicates Z: 24 29.800 2.140 0.902 0.813 0.913 0.609 CB 1.274 24 residues pruned to eliminate duplicates Z: 37 37.510 2.116 0.886 0.735 0.944 0.750 CB 1.343 37 residues pruned to eliminate duplicates Z: 24 27.430 2.139 0.654 0.806 0.957 0.696 CB 1.294 24 residues pruned to eliminate duplicates Z: 25 25.778 2.070 0.685 0.749 0.958 0.792 CB 1.260 25 residues pruned to eliminate duplicates Z: 25 26.010 2.058 0.724 0.789 0.917 0.833 CB 1.267 25 residues pruned to eliminate duplicates 183 residues left after pruning, divided into chains as follows: A: 183 CC for partial structure against native data = 46.87 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.461, Connect. = 0.772 for dens.mod. cycle 1 = 0.300, Contrast = 0.525, Connect. = 0.794 for dens.mod. cycle 2 = 0.300, Contrast = 0.620, Connect. = 0.812 for dens.mod. cycle 3 = 0.300, Contrast = 0.626, Connect. = 0.813 for dens.mod. cycle 4 = 0.300, Contrast = 0.634, Connect. = 0.814 for dens.mod. cycle 5 = 0.300, Contrast = 0.637, Connect. = 0.814 for dens.mod. cycle 6 = 0.300, Contrast = 0.640, Connect. = 0.816 for dens.mod. cycle 7 = 0.300, Contrast = 0.643, Connect. = 0.816 for dens.mod. cycle 8 = 0.300, Contrast = 0.644, Connect. = 0.817 for dens.mod. cycle 9 = 0.300, Contrast = 0.645, Connect. = 0.817 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1271 peaks > 0.5 sigma used to seed fragment search Space for about 244 unique residues taking solvent into account 249 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 40.504 2.204 0.934 0.942 1.000 0.684 CB 1.511 B: 22 55.779 2.347 1.104 0.942 1.000 0.857 CB 1.710 C: 23 57.431 2.282 1.254 0.935 1.000 0.773 CB 1.659 22 residues pruned to eliminate duplicates D: 29 55.096 2.280 0.961 0.957 1.000 0.750 CB 1.598 E: 12 27.994 2.257 0.970 0.877 0.909 0.636 CA 1.516 F: 23 52.522 2.245 1.238 0.939 1.000 0.682 CB 1.548 23 residues pruned to eliminate duplicates G: 27 58.874 2.353 1.091 0.956 1.000 0.692 CB 1.612 29 residues pruned to eliminate duplicates H: 20 32.929 2.215 1.009 0.937 0.947 0.632 CB 1.247 I: 23 60.912 2.307 1.183 0.952 1.000 0.455 CB 1.776 23 residues pruned to eliminate duplicates J: 9 14.091 2.100 0.423 0.655 1.000 0.625 CB 1.443 K: 20 32.731 2.226 0.703 0.923 0.947 0.737 CB 1.469 20 residues pruned to eliminate duplicates L: 26 42.393 2.343 0.510 0.948 1.000 0.880 CB 1.655 26 residues pruned to eliminate duplicates M: 29 41.725 2.259 0.685 0.890 0.964 0.750 CB 1.546 29 residues pruned to eliminate duplicates N: 8 19.025 2.237 0.504 0.896 1.000 0.857 CA 1.531 9 residues pruned to eliminate duplicates O: 22 62.656 2.355 1.427 0.951 0.952 0.619 CB 1.731 22 residues pruned to eliminate duplicates P: 88 67.934 2.282 0.763 0.698 0.943 0.644 CB 1.603 55 residues pruned to eliminate duplicates Q: 22 53.367 2.343 1.095 0.938 0.952 0.857 CB 1.732 22 residues pruned to eliminate duplicates R: 27 54.235 2.327 1.001 0.951 1.000 0.769 CB 1.574 27 residues pruned to eliminate duplicates S: 28 49.449 2.320 0.783 0.952 0.963 0.852 CB 1.645 28 residues pruned to eliminate duplicates T: 21 26.305 2.191 0.526 0.875 0.900 0.850 CB 1.423 21 residues pruned to eliminate duplicates U: 20 41.228 2.273 0.974 0.925 1.000 0.526 CB 1.479 20 residues pruned to eliminate duplicates V: 15 22.095 2.064 0.638 0.795 0.786 0.500 CB 1.716 15 residues pruned to eliminate duplicates W: 9 14.519 2.198 0.338 0.706 0.875 0.625 CA 1.654 9 residues pruned to eliminate duplicates X: 22 55.831 2.329 1.141 0.944 1.000 0.619 CB 1.692 22 residues pruned to eliminate duplicates Y: 11 13.128 1.999 0.353 0.802 0.900 0.600 CB 1.309 11 residues pruned to eliminate duplicates Z: 22 52.287 2.350 0.921 0.951 1.000 0.905 CB 1.742 22 residues pruned to eliminate duplicates Z: 11 35.949 2.407 1.005 0.934 1.000 0.800 CA 1.642 12 residues pruned to eliminate duplicates Z: 24 50.585 2.213 1.037 0.941 1.000 0.783 CB 1.624 24 residues pruned to eliminate duplicates Z: 9 25.083 2.402 0.968 0.808 0.875 0.875 CB 1.640 9 residues pruned to eliminate duplicates Z: 28 46.622 2.320 0.614 0.952 1.000 0.889 CB 1.651 28 residues pruned to eliminate duplicates Z: 28 57.374 2.296 1.106 0.962 1.000 0.741 CB 1.563 28 residues pruned to eliminate duplicates Z: 28 58.972 2.332 1.060 0.959 1.000 0.778 CB 1.619 28 residues pruned to eliminate duplicates Z: 22 30.068 2.134 0.702 0.942 1.000 0.667 CB 1.253 21 residues pruned to eliminate duplicates Z: 11 24.941 2.121 1.046 0.906 0.900 0.900 CA 1.437 Z: 23 48.915 2.307 0.969 0.934 1.000 0.955 CA 1.600 22 residues pruned to eliminate duplicates Z: 31 44.325 2.218 0.856 0.870 0.967 0.800 CB 1.484 31 residues pruned to eliminate duplicates Z: 30 47.769 2.210 1.049 0.880 0.966 0.621 CB 1.470 30 residues pruned to eliminate duplicates Z: 27 52.183 2.351 0.937 0.947 0.962 0.692 CB 1.616 27 residues pruned to eliminate duplicates Z: 28 58.199 2.333 1.072 0.954 0.963 0.593 CB 1.655 28 residues pruned to eliminate duplicates Z: 22 47.422 2.305 0.940 0.945 0.952 0.667 CB 1.682 22 residues pruned to eliminate duplicates Z: 28 46.333 2.285 0.875 0.910 0.963 0.926 CB 1.533 28 residues pruned to eliminate duplicates Z: 11 27.418 2.172 1.040 0.894 0.900 0.600 CA 1.560 11 residues pruned to eliminate duplicates Z: 13 29.529 2.150 0.767 0.932 1.000 0.917 CA 1.566 13 residues pruned to eliminate duplicates Z: 29 57.880 2.271 1.152 0.959 1.000 0.464 CB 1.534 29 residues pruned to eliminate duplicates Z: 16 31.366 2.262 1.004 0.885 0.867 0.667 CB 1.488 16 residues pruned to eliminate duplicates Z: 82 68.400 2.312 0.769 0.735 0.938 0.753 CB 1.604 81 residues pruned to eliminate duplicates Z: 28 45.438 2.298 0.879 0.916 0.926 0.815 CB 1.545 28 residues pruned to eliminate duplicates Z: 24 39.873 2.062 0.995 0.930 0.957 0.652 CB 1.478 Z: 27 53.107 2.341 0.955 0.957 0.962 0.808 CB 1.625 27 residues pruned to eliminate duplicates Z: 20 34.054 2.190 0.657 0.932 1.000 0.737 CB 1.503 20 residues pruned to eliminate duplicates Z: 10 22.338 2.144 0.770 0.885 1.000 0.778 CB 1.416 10 residues pruned to eliminate duplicates Z: 9 15.030 1.794 0.595 0.864 1.000 0.750 CB 1.361 7 residues pruned to eliminate duplicates Z: 23 44.584 2.117 1.017 0.955 1.000 0.727 CB 1.530 24 residues pruned to eliminate duplicates Z: 7 15.309 2.139 0.541 0.817 0.833 0.667 CA 1.728 7 residues pruned to eliminate duplicates Z: 20 33.258 2.168 0.814 0.929 0.895 0.579 CB 1.518 20 residues pruned to eliminate duplicates Z: 23 58.543 2.335 1.196 0.960 1.000 0.682 CA 1.668 23 residues pruned to eliminate duplicates Z: 8 13.880 1.946 0.424 0.831 0.857 0.857 CB 1.660 8 residues pruned to eliminate duplicates Z: 9 31.546 2.392 0.988 0.890 1.000 0.875 CB 1.687 9 residues pruned to eliminate duplicates Z: 23 51.053 2.274 1.147 0.941 1.000 0.818 CB 1.547 23 residues pruned to eliminate duplicates Z: 8 21.077 2.248 1.036 0.698 1.000 0.857 CA 1.453 8 residues pruned to eliminate duplicates Z: 21 34.976 2.202 0.848 0.944 1.000 0.850 CB 1.331 21 residues pruned to eliminate duplicates Z: 24 44.245 2.084 0.984 0.952 1.000 0.696 CA 1.536 25 residues pruned to eliminate duplicates Z: 25 42.488 1.999 1.075 0.915 1.000 0.625 CB 1.477 23 residues pruned to eliminate duplicates Z: 24 48.283 2.093 1.203 0.960 1.000 0.739 CB 1.495 25 residues pruned to eliminate duplicates Z: 23 56.042 2.237 1.296 0.948 1.000 0.545 CB 1.607 23 residues pruned to eliminate duplicates Z: 24 37.214 2.070 0.916 0.929 0.913 0.696 CB 1.500 24 residues pruned to eliminate duplicates Z: 23 52.326 2.323 0.992 0.946 1.000 0.636 CA 1.667 23 residues pruned to eliminate duplicates Z: 10 15.235 1.876 0.726 0.820 0.889 0.778 CB 1.336 10 residues pruned to eliminate duplicates Z: 20 29.474 2.206 0.699 0.932 1.000 0.789 CB 1.259 20 residues pruned to eliminate duplicates Z: 23 66.586 2.280 1.482 0.955 1.000 0.545 CB 1.724 23 residues pruned to eliminate duplicates Z: 23 51.186 2.277 1.047 0.930 0.955 0.818 CB 1.715 23 residues pruned to eliminate duplicates Z: 23 38.607 2.157 1.042 0.880 0.909 0.636 CB 1.490 23 residues pruned to eliminate duplicates Z: 25 57.249 2.369 0.960 0.959 1.000 0.833 CB 1.726 25 residues pruned to eliminate duplicates Z: 22 38.119 2.156 0.707 0.961 1.000 0.905 CA 1.547 22 residues pruned to eliminate duplicates Z: 20 41.423 2.242 1.010 0.933 1.000 0.474 CB 1.472 20 residues pruned to eliminate duplicates Z: 78 64.715 2.266 0.904 0.671 0.909 0.597 CB 1.606 78 residues pruned to eliminate duplicates Z: 24 42.368 2.077 0.894 0.959 1.000 0.870 CB 1.539 24 residues pruned to eliminate duplicates Z: 6 12.663 2.078 0.717 0.705 1.000 0.600 CB 1.317 6 residues pruned to eliminate duplicates Z: 11 25.218 2.104 0.932 0.902 1.000 0.900 CB 1.400 11 residues pruned to eliminate duplicates Z: 23 42.709 2.268 0.622 0.941 1.000 0.773 CA 1.718 23 residues pruned to eliminate duplicates Z: 23 48.975 2.263 1.073 0.942 0.955 0.909 CB 1.617 23 residues pruned to eliminate duplicates Z: 75 75.631 2.283 0.898 0.792 0.959 0.676 CB 1.637 77 residues pruned to eliminate duplicates Z: 21 40.885 2.187 0.988 0.927 1.000 0.650 CB 1.473 21 residues pruned to eliminate duplicates Z: 10 22.821 2.205 0.894 0.846 1.000 0.667 CB 1.353 10 residues pruned to eliminate duplicates Z: 22 40.277 2.155 0.769 0.951 1.000 0.952 CB 1.589 22 residues pruned to eliminate duplicates Z: 22 32.479 2.134 0.883 0.941 1.000 0.762 CB 1.225 22 residues pruned to eliminate duplicates Z: 21 23.289 2.154 0.488 0.912 0.900 0.850 CB 1.279 21 residues pruned to eliminate duplicates Z: 24 48.941 2.212 1.067 0.931 1.000 0.696 CA 1.560 23 residues pruned to eliminate duplicates Z: 23 53.543 2.298 0.964 0.954 1.000 0.682 CB 1.739 23 residues pruned to eliminate duplicates Z: 20 40.335 2.237 0.992 0.916 1.000 0.789 CB 1.467 20 residues pruned to eliminate duplicates Z: 9 17.345 1.891 1.045 0.795 0.875 0.750 CB 1.399 10 residues pruned to eliminate duplicates Z: 20 34.872 2.167 1.031 0.911 0.947 0.421 CB 1.360 20 residues pruned to eliminate duplicates Z: 84 70.670 2.259 0.874 0.716 0.964 0.590 CB 1.563 84 residues pruned to eliminate duplicates Z: 23 38.782 2.150 0.718 0.954 1.000 0.955 CB 1.540 23 residues pruned to eliminate duplicates Z: 11 15.814 1.937 0.865 0.638 1.000 0.800 CA 1.216 11 residues pruned to eliminate duplicates Z: 23 37.460 2.102 0.677 0.961 1.000 0.955 CA 1.551 23 residues pruned to eliminate duplicates Z: 15 14.241 1.748 0.276 0.933 0.929 0.500 CB 1.282 15 residues pruned to eliminate duplicates Z: 8 14.685 1.811 0.878 0.781 0.857 0.714 CA 1.486 8 residues pruned to eliminate duplicates Z: 23 52.045 2.270 1.097 0.949 0.955 0.591 CB 1.684 23 residues pruned to eliminate duplicates Z: 41 60.164 2.357 1.112 0.736 0.925 0.500 CB 1.672 36 residues pruned to eliminate duplicates Z: 22 32.329 2.085 0.835 0.942 1.000 0.714 CB 1.279 22 residues pruned to eliminate duplicates Z: 23 40.770 2.131 0.830 0.946 1.000 0.636 CB 1.542 23 residues pruned to eliminate duplicates Z: 6 2.161 1.744 -0.133 0.638 0.600 0.600 CB 0.936 6 residues pruned to eliminate duplicates Z: 20 35.954 2.246 0.797 0.919 1.000 0.789 CB 1.440 20 residues pruned to eliminate duplicates Z: 24 41.713 2.082 0.907 0.951 1.000 0.913 CB 1.510 24 residues pruned to eliminate duplicates Z: 25 23.152 1.996 0.646 0.789 0.958 0.792 CB 1.165 25 residues pruned to eliminate duplicates Z: 28 49.078 2.295 0.904 0.912 0.963 0.704 CB 1.590 28 residues pruned to eliminate duplicates Z: 21 36.489 2.184 0.961 0.949 1.000 0.700 CB 1.315 21 residues pruned to eliminate duplicates Z: 22 46.141 2.358 0.669 0.951 1.000 0.952 CB 1.763 22 residues pruned to eliminate duplicates Z: 10 21.305 2.158 0.859 0.872 1.000 0.778 CB 1.291 10 residues pruned to eliminate duplicates Z: 20 33.917 2.246 0.785 0.882 0.947 0.526 CB 1.483 20 residues pruned to eliminate duplicates Z: 23 59.617 2.311 1.269 0.954 1.000 0.773 CB 1.667 23 residues pruned to eliminate duplicates Z: 32 49.519 2.258 1.074 0.751 0.935 0.677 CB 1.622 32 residues pruned to eliminate duplicates Z: 27 39.691 2.250 0.462 0.943 1.000 0.808 CB 1.640 27 residues pruned to eliminate duplicates Z: 27 54.055 2.318 1.135 0.953 0.962 0.538 CB 1.533 27 residues pruned to eliminate duplicates Z: 79 67.155 2.219 0.980 0.680 0.949 0.641 CB 1.547 79 residues pruned to eliminate duplicates Z: 23 63.752 2.277 1.407 0.952 1.000 0.636 CB 1.708 23 residues pruned to eliminate duplicates Z: 24 42.007 2.166 1.111 0.886 0.913 0.609 CB 1.514 24 residues pruned to eliminate duplicates Z: 20 36.227 2.213 1.008 0.946 1.000 0.632 CB 1.293 20 residues pruned to eliminate duplicates Z: 32 50.524 2.117 1.293 0.903 0.935 0.548 CB 1.424 32 residues pruned to eliminate duplicates Z: 6 10.453 1.812 0.643 0.773 1.000 0.600 CA 1.233 6 residues pruned to eliminate duplicates Z: 22 49.760 2.171 1.142 0.962 1.000 0.714 CB 1.597 22 residues pruned to eliminate duplicates Z: 19 31.318 2.254 0.825 0.918 0.889 0.611 CB 1.423 19 residues pruned to eliminate duplicates Z: 22 27.225 2.114 0.629 0.943 1.000 0.762 CB 1.195 21 residues pruned to eliminate duplicates Z: 26 59.846 2.330 1.157 0.951 1.000 0.520 CB 1.641 26 residues pruned to eliminate duplicates Z: 22 30.160 2.110 0.827 0.930 0.905 0.762 CB 1.320 22 residues pruned to eliminate duplicates Z: 22 53.724 2.335 1.041 0.932 1.000 0.810 CB 1.717 22 residues pruned to eliminate duplicates Z: 22 49.547 2.282 1.168 0.937 0.952 0.571 CB 1.597 22 residues pruned to eliminate duplicates Z: 23 33.124 2.108 0.577 0.951 1.000 1.000 CB 1.465 23 residues pruned to eliminate duplicates Z: 15 20.927 2.104 0.726 0.584 1.000 0.500 CA 1.420 15 residues pruned to eliminate duplicates Z: 24 45.852 2.101 1.174 0.962 1.000 0.783 CB 1.432 23 residues pruned to eliminate duplicates Z: 23 36.613 2.140 0.645 0.950 1.000 0.909 CB 1.530 23 residues pruned to eliminate duplicates Z: 21 27.397 2.119 0.649 0.942 1.000 0.850 CB 1.216 21 residues pruned to eliminate duplicates Z: 20 41.513 2.187 1.061 0.950 1.000 0.632 CB 1.457 20 residues pruned to eliminate duplicates Z: 10 28.997 2.266 1.182 0.847 1.000 0.889 CB 1.451 10 residues pruned to eliminate duplicates Z: 11 18.263 2.104 0.740 0.833 0.900 0.600 CB 1.314 11 residues pruned to eliminate duplicates Z: 20 30.145 2.239 0.445 0.933 1.000 0.947 CB 1.492 20 residues pruned to eliminate duplicates Z: 8 6.696 1.631 0.296 0.745 0.857 0.857 CB 1.122 8 residues pruned to eliminate duplicates Z: 7 12.814 1.881 0.869 0.715 1.000 0.500 CB 1.225 7 residues pruned to eliminate duplicates Z: 25 36.734 2.146 1.029 0.705 0.958 0.750 CB 1.491 25 residues pruned to eliminate duplicates Z: 21 33.095 2.152 0.826 0.943 1.000 0.700 CB 1.305 21 residues pruned to eliminate duplicates Z: 21 33.864 2.151 0.848 0.890 0.950 0.850 CB 1.442 21 residues pruned to eliminate duplicates Z: 30 46.567 2.158 1.134 0.899 0.966 0.586 CB 1.391 30 residues pruned to eliminate duplicates Z: 16 18.265 1.888 0.440 0.788 0.800 0.333 CA 1.683 16 residues pruned to eliminate duplicates Z: 23 36.759 2.057 0.772 0.945 1.000 0.727 CA 1.488 23 residues pruned to eliminate duplicates Z: 9 15.713 1.969 0.717 0.814 0.875 0.625 CA 1.429 9 residues pruned to eliminate duplicates Z: 30 30.424 2.007 0.767 0.620 0.966 0.759 CB 1.473 30 residues pruned to eliminate duplicates Z: 7 14.549 1.840 0.831 0.737 1.000 0.667 CA 1.424 7 residues pruned to eliminate duplicates Z: 22 39.454 2.158 0.791 0.933 1.000 0.905 CA 1.554 22 residues pruned to eliminate duplicates Z: 10 21.649 2.137 0.947 0.844 1.000 0.556 CB 1.290 10 residues pruned to eliminate duplicates Z: 45 52.065 2.256 0.891 0.678 0.955 0.682 CB 1.636 45 residues pruned to eliminate duplicates Z: 10 25.432 2.263 0.656 0.874 1.000 1.000 CA 1.646 10 residues pruned to eliminate duplicates Z: 23 11.382 1.886 0.405 0.353 0.773 0.409 CB 1.389 23 residues pruned to eliminate duplicates Z: 17 23.444 2.267 0.710 0.592 0.875 0.625 CA 1.583 17 residues pruned to eliminate duplicates Z: 21 58.043 2.374 1.216 0.950 1.000 0.250 CB 1.701 21 residues pruned to eliminate duplicates Z: 21 23.112 2.053 0.717 0.569 1.000 0.500 CA 1.371 21 residues pruned to eliminate duplicates Z: 36 34.536 2.087 0.866 0.657 0.971 0.743 CB 1.333 37 residues pruned to eliminate duplicates Z: 23 37.474 2.114 0.783 0.927 0.955 0.955 CA 1.555 23 residues pruned to eliminate duplicates Z: 24 33.666 2.312 0.402 0.919 0.957 0.783 CB 1.596 24 residues pruned to eliminate duplicates Z: 9 16.671 2.052 0.455 0.901 1.000 1.000 CA 1.409 9 residues pruned to eliminate duplicates Z: 11 17.572 2.008 0.675 0.836 0.900 0.900 CB 1.375 11 residues pruned to eliminate duplicates Z: 128 95.787 2.324 0.940 0.710 0.945 0.701 CB 1.649 129 residues pruned to eliminate duplicates Z: 12 25.129 2.021 0.675 0.827 1.000 0.636 CA 1.686 12 residues pruned to eliminate duplicates Z: 10 6.625 1.835 0.084 0.828 0.667 0.556 CB 1.255 10 residues pruned to eliminate duplicates Z: 21 22.735 2.125 0.448 0.933 1.000 0.900 CB 1.152 21 residues pruned to eliminate duplicates Z: 37 49.794 2.239 1.007 0.694 0.972 0.583 CB 1.591 37 residues pruned to eliminate duplicates Z: 37 40.686 2.323 0.680 0.607 0.944 0.667 CB 1.662 37 residues pruned to eliminate duplicates Z: 6 2.698 1.422 0.515 0.410 0.600 0.200 N 1.026 Z: 20 37.245 2.303 1.057 0.731 0.895 0.632 CB 1.637 20 residues pruned to eliminate duplicates Z: 8 3.632 2.004 0.339 0.071 0.571 0.286 CB 1.567 8 residues pruned to eliminate duplicates Z: 6 2.814 1.581 0.708 0.294 0.800 0.600 CB 0.733 Z: 27 40.082 2.307 0.534 0.926 0.962 0.885 CB 1.621 27 residues pruned to eliminate duplicates Z: 21 26.411 2.135 0.517 0.890 0.900 0.850 CB 1.458 21 residues pruned to eliminate duplicates Z: 68 59.605 2.237 0.870 0.673 0.940 0.597 CB 1.578 68 residues pruned to eliminate duplicates Z: 23 42.084 2.225 0.650 0.931 1.000 0.955 CA 1.708 23 residues pruned to eliminate duplicates Z: 12 17.495 2.174 0.647 0.470 1.000 0.727 CA 1.518 12 residues pruned to eliminate duplicates Z: 18 38.852 2.273 1.031 0.919 0.941 0.765 CB 1.529 18 residues pruned to eliminate duplicates Z: 23 37.581 2.196 0.532 0.907 1.000 0.773 CB 1.694 23 residues pruned to eliminate duplicates Z: 35 26.078 2.109 0.710 0.512 0.824 0.618 CB 1.487 35 residues pruned to eliminate duplicates Z: 28 24.930 2.007 0.610 0.619 0.889 0.741 CB 1.493 28 residues pruned to eliminate duplicates Z: 38 39.639 2.115 0.760 0.697 0.946 0.865 CB 1.546 38 residues pruned to eliminate duplicates Z: 23 25.439 1.983 1.017 0.741 0.818 0.636 CB 1.335 23 residues pruned to eliminate duplicates Z: 22 41.794 2.270 0.830 0.927 0.952 0.905 CB 1.616 22 residues pruned to eliminate duplicates Z: 21 32.804 2.150 0.844 0.606 1.000 0.750 CB 1.673 21 residues pruned to eliminate duplicates Z: 38 34.687 2.086 0.673 0.673 0.946 0.541 CB 1.473 38 residues pruned to eliminate duplicates Z: 37 46.642 2.284 1.016 0.666 0.917 0.667 CB 1.579 37 residues pruned to eliminate duplicates Z: 20 36.213 2.249 0.957 0.837 0.947 0.842 CB 1.490 20 residues pruned to eliminate duplicates Z: 21 29.721 2.171 0.718 0.947 0.950 0.800 CB 1.296 21 residues pruned to eliminate duplicates Z: 84 67.191 2.267 0.749 0.707 0.952 0.687 CB 1.620 84 residues pruned to eliminate duplicates Z: 32 42.548 2.175 0.572 0.849 1.000 0.871 CB 1.657 32 residues pruned to eliminate duplicates Z: 7 10.714 1.827 0.550 0.883 1.000 0.833 CB 1.117 7 residues pruned to eliminate duplicates Z: 8 6.778 1.556 0.525 0.634 0.857 0.571 CB 1.111 Z: 43 53.237 2.297 1.148 0.695 0.905 0.548 CB 1.539 43 residues pruned to eliminate duplicates Z: 51 52.420 2.155 0.976 0.694 0.940 0.560 CB 1.551 51 residues pruned to eliminate duplicates Z: 21 45.034 2.289 1.059 0.939 0.950 0.850 CB 1.563 21 residues pruned to eliminate duplicates Z: 14 21.686 2.084 0.868 0.780 1.000 0.692 CB 1.206 14 residues pruned to eliminate duplicates Z: 23 62.278 2.295 1.293 0.963 1.000 0.773 CB 1.725 23 residues pruned to eliminate duplicates Z: 74 69.308 2.251 0.934 0.725 0.973 0.644 CB 1.564 74 residues pruned to eliminate duplicates 6 1.543 1.428 -0.214 0.404 0.800 0.800 CA 0.851 ? Z: 61 64.347 2.266 0.988 0.713 0.950 0.533 CB 1.600 67 residues pruned to eliminate duplicates Z: 12 17.612 1.894 0.769 0.872 0.909 0.364 CB 1.270 12 residues pruned to eliminate duplicates Z: 23 58.156 2.258 1.236 0.958 1.000 0.773 CB 1.685 23 residues pruned to eliminate duplicates Z: 39 52.508 2.354 0.980 0.612 0.974 0.684 CB 1.689 39 residues pruned to eliminate duplicates Z: 32 41.956 2.252 1.002 0.610 0.935 0.581 CA 1.611 32 residues pruned to eliminate duplicates Z: 21 31.360 2.198 0.716 0.939 1.000 0.900 CB 1.292 21 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 104 82.779 2.264 0.802 0.753 0.990 0.718 CB 1.611 104 residues pruned to eliminate duplicates Z: 24 41.622 2.124 1.030 0.885 0.957 0.870 CA 1.520 24 residues pruned to eliminate duplicates Z: 24 40.923 2.109 1.037 0.914 0.957 0.826 CB 1.469 24 residues pruned to eliminate duplicates Z: 24 40.659 2.103 0.979 0.910 0.957 0.652 CA 1.510 24 residues pruned to eliminate duplicates Z: 29 33.856 2.008 0.872 0.766 0.929 0.714 CA 1.447 29 residues pruned to eliminate duplicates Z: 23 45.241 2.146 1.128 0.917 0.955 0.864 CB 1.561 23 residues pruned to eliminate duplicates Z: 24 40.950 2.099 0.992 0.919 0.957 0.783 CA 1.506 24 residues pruned to eliminate duplicates Z: 24 43.988 2.136 1.103 0.920 0.957 0.783 CB 1.503 24 residues pruned to eliminate duplicates Z: 26 37.767 2.036 1.126 0.807 0.920 0.640 CB 1.451 26 residues pruned to eliminate duplicates Z: 24 42.471 2.113 1.086 0.916 0.957 0.696 CA 1.484 24 residues pruned to eliminate duplicates Z: 25 42.729 2.049 1.114 0.900 1.000 0.667 CB 1.439 25 residues pruned to eliminate duplicates Z: 55 50.729 2.122 0.913 0.634 0.963 0.556 CA 1.556 55 residues pruned to eliminate duplicates Z: 103 83.698 2.282 0.834 0.766 0.961 0.676 CB 1.628 103 residues pruned to eliminate duplicates Z: 27 37.450 1.996 1.079 0.832 0.962 0.385 CB 1.383 27 residues pruned to eliminate duplicates Z: 115 83.371 2.246 0.863 0.726 0.956 0.632 CB 1.592 115 residues pruned to eliminate duplicates Z: 23 49.423 2.156 1.201 0.948 1.000 0.591 CB 1.533 24 residues pruned to eliminate duplicates Z: 24 43.966 2.022 1.210 0.920 1.000 0.435 CB 1.445 24 residues pruned to eliminate duplicates Z: 105 86.008 2.263 0.881 0.771 0.971 0.673 CB 1.606 105 residues pruned to eliminate duplicates Z: 26 37.467 1.985 1.253 0.865 0.960 0.400 CB 1.279 26 residues pruned to eliminate duplicates Z: 25 37.515 1.997 1.181 0.850 0.958 0.458 CB 1.359 25 residues pruned to eliminate duplicates Z: 113 88.979 2.279 0.885 0.748 0.973 0.652 CB 1.611 113 residues pruned to eliminate duplicates Z: 7 7.125 1.925 0.609 0.496 0.833 0.500 CB 1.132 7 residues pruned to eliminate duplicates Z: 103 85.774 2.281 0.893 0.770 0.961 0.676 CB 1.613 103 residues pruned to eliminate duplicates Z: 84 67.866 2.293 0.766 0.721 0.916 0.687 CB 1.645 84 residues pruned to eliminate duplicates Z: 132 90.014 2.311 0.800 0.707 0.947 0.748 CB 1.654 132 residues pruned to eliminate duplicates Z: 81 68.917 2.326 0.733 0.731 0.938 0.713 CB 1.656 81 residues pruned to eliminate duplicates Z: 92 72.957 2.291 0.777 0.701 0.945 0.725 CB 1.655 92 residues pruned to eliminate duplicates Z: 82 69.566 2.309 0.754 0.720 0.963 0.704 CB 1.624 82 residues pruned to eliminate duplicates Z: 101 67.770 2.230 0.718 0.706 0.940 0.690 CB 1.559 101 residues pruned to eliminate duplicates Z: 88 66.704 2.257 0.775 0.703 0.943 0.759 CB 1.574 88 residues pruned to eliminate duplicates Z: 88 73.563 2.323 0.748 0.726 0.943 0.655 CB 1.681 88 residues pruned to eliminate duplicates Z: 82 72.890 2.319 0.784 0.731 0.975 0.679 CB 1.630 82 residues pruned to eliminate duplicates Z: 103 92.902 2.302 0.956 0.769 0.980 0.686 CB 1.642 103 residues pruned to eliminate duplicates Z: 81 75.432 2.331 0.812 0.734 0.975 0.713 CB 1.660 81 residues pruned to eliminate duplicates Z: 81 72.328 2.306 0.791 0.731 0.975 0.738 CB 1.631 81 residues pruned to eliminate duplicates Z: 132 86.607 2.279 0.804 0.706 0.924 0.710 CB 1.652 132 residues pruned to eliminate duplicates Z: 81 62.297 2.267 0.757 0.679 0.950 0.675 CB 1.560 81 residues pruned to eliminate duplicates Z: 105 81.608 2.278 0.885 0.758 0.933 0.644 CB 1.589 105 residues pruned to eliminate duplicates Z: 82 63.966 2.316 0.689 0.728 0.889 0.667 CB 1.665 82 residues pruned to eliminate duplicates Z: 104 83.997 2.261 0.968 0.760 0.922 0.660 CB 1.600 104 residues pruned to eliminate duplicates Z: 113 80.335 2.267 0.818 0.733 0.929 0.670 CB 1.608 113 residues pruned to eliminate duplicates Z: 9 17.356 2.199 0.458 0.694 1.000 0.500 CA 1.602 9 residues pruned to eliminate duplicates Z: 104 74.046 2.256 0.772 0.725 0.932 0.660 CB 1.598 103 residues pruned to eliminate duplicates Z: 9 17.515 2.249 0.714 0.703 0.875 0.750 CA 1.527 9 residues pruned to eliminate duplicates Z: 103 83.320 2.279 0.826 0.772 0.961 0.696 CB 1.622 104 residues pruned to eliminate duplicates Z: 11 15.678 2.227 0.947 0.482 0.800 0.600 CA 1.455 11 residues pruned to eliminate duplicates Z: 85 70.175 2.307 0.735 0.727 0.976 0.738 CB 1.598 85 residues pruned to eliminate duplicates Z: 90 64.015 2.249 0.703 0.693 0.921 0.719 CB 1.612 90 residues pruned to eliminate duplicates Z: 83 68.178 2.295 0.786 0.730 0.939 0.659 CB 1.590 83 residues pruned to eliminate duplicates Z: 56 62.546 2.324 0.834 0.718 0.964 0.818 CB 1.686 56 residues pruned to eliminate duplicates Z: 91 61.557 2.291 0.587 0.703 0.922 0.711 CB 1.608 91 residues pruned to eliminate duplicates Z: 56 59.682 2.325 0.697 0.720 0.982 0.800 CB 1.704 56 residues pruned to eliminate duplicates Z: 68 57.305 2.239 0.737 0.774 0.925 0.657 CB 1.527 68 residues pruned to eliminate duplicates Z: 76 72.321 2.288 0.810 0.782 0.947 0.667 CB 1.661 76 residues pruned to eliminate duplicates Z: 66 59.418 2.283 0.664 0.756 0.954 0.677 CB 1.619 66 residues pruned to eliminate duplicates Z: 112 84.010 2.277 0.837 0.750 0.937 0.595 CB 1.628 112 residues pruned to eliminate duplicates Z: 81 67.377 2.313 0.793 0.724 0.913 0.650 CB 1.627 81 residues pruned to eliminate duplicates Z: 106 79.653 2.271 0.884 0.738 0.905 0.629 CB 1.621 106 residues pruned to eliminate duplicates Z: 64 70.305 2.308 0.843 0.780 1.000 0.683 CB 1.626 64 residues pruned to eliminate duplicates Z: 81 67.078 2.287 0.807 0.701 0.925 0.650 CB 1.634 81 residues pruned to eliminate duplicates Z: 85 70.420 2.297 0.771 0.736 0.940 0.702 CB 1.626 85 residues pruned to eliminate duplicates Z: 83 73.506 2.315 0.834 0.734 0.939 0.683 CB 1.650 83 residues pruned to eliminate duplicates Z: 133 86.994 2.306 0.780 0.708 0.924 0.644 CB 1.653 133 residues pruned to eliminate duplicates Z: 82 71.359 2.309 0.846 0.737 0.914 0.654 CB 1.646 82 residues pruned to eliminate duplicates Z: 28 57.769 2.373 1.091 0.888 0.963 0.519 CB 1.677 28 residues pruned to eliminate duplicates Z: 53 73.175 2.357 1.107 0.729 0.981 0.731 CB 1.694 53 residues pruned to eliminate duplicates Z: 101 80.884 2.271 0.928 0.732 0.930 0.590 CB 1.612 101 residues pruned to eliminate duplicates Z: 83 73.110 2.318 0.827 0.728 0.939 0.622 CB 1.653 83 residues pruned to eliminate duplicates Z: 83 72.519 2.285 0.912 0.720 0.939 0.646 CB 1.601 83 residues pruned to eliminate duplicates Z: 154 98.696 2.264 0.961 0.710 0.928 0.654 CB 1.601 154 residues pruned to eliminate duplicates Z: 104 86.605 2.267 0.998 0.772 0.942 0.553 CB 1.573 104 residues pruned to eliminate duplicates Z: 83 69.062 2.269 0.893 0.690 0.939 0.622 CB 1.589 83 residues pruned to eliminate duplicates Z: 82 70.928 2.303 0.869 0.724 0.926 0.630 CB 1.615 82 residues pruned to eliminate duplicates Z: 84 76.210 2.311 0.911 0.744 0.940 0.651 CB 1.620 84 residues pruned to eliminate duplicates Z: 66 65.223 2.276 0.868 0.787 0.938 0.585 CB 1.574 66 residues pruned to eliminate duplicates Z: 86 73.184 2.293 0.820 0.731 0.965 0.671 CB 1.602 86 residues pruned to eliminate duplicates Z: 27 40.808 2.306 0.803 0.783 0.962 0.615 CB 1.561 27 residues pruned to eliminate duplicates Z: 57 67.087 2.303 0.925 0.814 0.964 0.607 CB 1.595 57 residues pruned to eliminate duplicates Z: 82 76.416 2.318 0.913 0.720 0.975 0.568 CB 1.610 82 residues pruned to eliminate duplicates Z: 80 77.614 2.327 0.949 0.730 0.962 0.658 CB 1.627 80 residues pruned to eliminate duplicates Z: 84 71.715 2.303 0.863 0.705 0.940 0.614 CB 1.620 84 residues pruned to eliminate duplicates Z: 81 75.487 2.309 0.932 0.727 0.950 0.637 CB 1.623 81 residues pruned to eliminate duplicates Z: 104 87.674 2.283 0.952 0.757 0.942 0.670 CB 1.637 104 residues pruned to eliminate duplicates Z: 19 29.854 2.211 1.050 0.861 0.889 0.444 CB 1.284 19 residues pruned to eliminate duplicates Z: 103 93.373 2.296 1.039 0.780 0.961 0.588 CB 1.606 103 residues pruned to eliminate duplicates Z: 141 96.363 2.293 0.870 0.717 0.964 0.621 CB 1.618 141 residues pruned to eliminate duplicates Z: 56 69.459 2.320 0.987 0.815 0.982 0.527 CB 1.574 56 residues pruned to eliminate duplicates Z: 68 63.251 2.254 0.883 0.771 0.925 0.537 CB 1.548 68 residues pruned to eliminate duplicates Z: 144 93.155 2.270 0.864 0.709 0.958 0.629 CB 1.589 144 residues pruned to eliminate duplicates Z: 92 74.731 2.281 0.897 0.707 0.923 0.615 CB 1.625 92 residues pruned to eliminate duplicates Z: 102 84.386 2.260 0.975 0.753 0.941 0.614 CB 1.596 102 residues pruned to eliminate duplicates Z: 67 66.125 2.258 0.927 0.772 0.939 0.500 CB 1.566 67 residues pruned to eliminate duplicates Z: 82 75.037 2.301 0.900 0.742 0.951 0.593 CB 1.615 82 residues pruned to eliminate duplicates Z: 85 72.162 2.259 0.972 0.703 0.952 0.512 CB 1.543 85 residues pruned to eliminate duplicates Z: 81 79.558 2.296 0.949 0.755 0.975 0.713 CB 1.624 81 residues pruned to eliminate duplicates Z: 87 73.885 2.289 0.910 0.709 0.930 0.593 CB 1.621 87 residues pruned to eliminate duplicates Z: 89 78.343 2.305 0.856 0.728 0.966 0.568 CB 1.647 89 residues pruned to eliminate duplicates Z: 106 90.503 2.286 1.007 0.769 0.962 0.543 CB 1.577 106 residues pruned to eliminate duplicates Z: 107 83.062 2.239 0.971 0.761 0.934 0.566 CB 1.552 107 residues pruned to eliminate duplicates Z: 134 87.783 2.265 0.853 0.699 0.932 0.699 CB 1.623 134 residues pruned to eliminate duplicates Z: 84 73.410 2.310 0.904 0.701 0.940 0.578 CB 1.624 84 residues pruned to eliminate duplicates Z: 59 65.915 2.309 0.939 0.761 0.966 0.690 CB 1.589 59 residues pruned to eliminate duplicates Z: 154 102.038 2.273 0.926 0.723 0.954 0.569 CB 1.614 154 residues pruned to eliminate duplicates Z: 91 74.043 2.265 0.897 0.715 0.933 0.556 CB 1.602 91 residues pruned to eliminate duplicates Z: 90 78.042 2.302 0.875 0.719 0.966 0.663 CB 1.627 90 residues pruned to eliminate duplicates Z: 134 91.411 2.269 0.888 0.705 0.947 0.617 CB 1.621 134 residues pruned to eliminate duplicates Z: 130 89.640 2.308 0.815 0.703 0.938 0.581 CB 1.669 130 residues pruned to eliminate duplicates Z: 32 42.708 2.257 0.632 0.799 0.935 0.742 CA 1.714 32 residues pruned to eliminate duplicates Z: 150 92.309 2.273 0.868 0.731 0.906 0.604 CB 1.598 150 residues pruned to eliminate duplicates Z: 45 52.304 2.259 0.840 0.702 0.955 0.750 CB 1.653 45 residues pruned to eliminate duplicates Z: 56 52.049 2.234 0.758 0.687 0.909 0.673 CA 1.656 56 residues pruned to eliminate duplicates Z: 126 89.095 2.277 0.919 0.698 0.936 0.640 CB 1.626 126 residues pruned to eliminate duplicates Z: 111 80.676 2.295 0.807 0.728 0.936 0.627 CB 1.613 111 residues pruned to eliminate duplicates Z: 44 47.056 2.239 0.674 0.727 0.953 0.721 CB 1.637 44 residues pruned to eliminate duplicates Z: 52 49.235 2.220 0.791 0.670 0.882 0.627 CB 1.679 52 residues pruned to eliminate duplicates Z: 84 67.634 2.231 0.821 0.673 0.976 0.675 CB 1.596 84 residues pruned to eliminate duplicates Z: 31 44.292 2.316 0.829 0.760 0.933 0.767 CB 1.624 31 residues pruned to eliminate duplicates Z: 41 57.103 2.370 0.926 0.758 0.925 0.750 CB 1.700 41 residues pruned to eliminate duplicates Z: 43 52.339 2.323 0.894 0.703 0.952 0.833 CB 1.603 43 residues pruned to eliminate duplicates Z: 46 55.865 2.282 0.933 0.706 0.956 0.644 CB 1.638 46 residues pruned to eliminate duplicates Z: 151 104.486 2.256 0.984 0.743 0.967 0.647 CB 1.586 151 residues pruned to eliminate duplicates Z: 130 89.276 2.293 0.899 0.700 0.938 0.682 CB 1.604 130 residues pruned to eliminate duplicates Z: 132 91.855 2.279 0.886 0.715 0.954 0.695 CB 1.610 132 residues pruned to eliminate duplicates Z: 48 59.511 2.324 0.917 0.689 0.957 0.617 CB 1.712 48 residues pruned to eliminate duplicates Z: 46 46.717 2.251 0.859 0.734 0.911 0.711 CB 1.480 46 residues pruned to eliminate duplicates Z: 45 60.616 2.244 1.068 0.698 1.000 0.591 CB 1.645 45 residues pruned to eliminate duplicates Z: 43 58.757 2.326 1.095 0.707 0.929 0.714 CB 1.661 43 residues pruned to eliminate duplicates Z: 43 59.872 2.282 1.077 0.699 0.976 0.619 CB 1.665 43 residues pruned to eliminate duplicates Z: 42 59.271 2.336 1.112 0.720 0.927 0.585 CB 1.660 42 residues pruned to eliminate duplicates Z: 48 56.054 2.284 1.029 0.656 0.957 0.660 CB 1.593 48 residues pruned to eliminate duplicates Z: 42 63.857 2.349 1.031 0.718 1.000 0.585 CA 1.716 42 residues pruned to eliminate duplicates Z: 44 55.015 2.302 1.049 0.689 0.930 0.651 CB 1.608 44 residues pruned to eliminate duplicates Z: 44 59.394 2.293 1.025 0.686 0.977 0.674 CB 1.684 44 residues pruned to eliminate duplicates Z: 44 55.264 2.321 1.017 0.734 0.953 0.581 CB 1.530 44 residues pruned to eliminate duplicates Z: 139 92.409 2.267 0.932 0.703 0.935 0.565 CB 1.597 139 residues pruned to eliminate duplicates Z: 130 91.616 2.298 0.946 0.685 0.946 0.667 CB 1.610 130 residues pruned to eliminate duplicates Z: 43 56.198 2.273 1.087 0.716 0.952 0.643 CB 1.578 43 residues pruned to eliminate duplicates Z: 157 96.310 2.239 0.974 0.707 0.962 0.622 CB 1.503 157 residues pruned to eliminate duplicates Z: 128 91.743 2.290 0.952 0.723 0.953 0.630 CB 1.564 128 residues pruned to eliminate duplicates Z: 47 53.007 2.273 0.913 0.679 0.935 0.674 CB 1.631 47 residues pruned to eliminate duplicates Z: 40 60.616 2.371 0.967 0.742 1.000 0.692 CB 1.675 40 residues pruned to eliminate duplicates Z: 44 57.447 2.272 0.987 0.703 0.953 0.558 CA 1.692 44 residues pruned to eliminate duplicates Z: 44 55.890 2.294 1.063 0.751 0.977 0.628 CB 1.474 44 residues pruned to eliminate duplicates Z: 151 100.517 2.256 1.010 0.736 0.920 0.600 CB 1.591 151 residues pruned to eliminate duplicates Z: 44 56.290 2.301 1.064 0.710 0.930 0.651 CB 1.605 44 residues pruned to eliminate duplicates Z: 128 91.350 2.274 0.934 0.694 0.953 0.528 CB 1.620 128 residues pruned to eliminate duplicates Z: 46 59.293 2.309 1.154 0.714 0.956 0.689 CB 1.532 46 residues pruned to eliminate duplicates Z: 31 47.701 2.196 1.127 0.720 0.967 0.667 CA 1.581 31 residues pruned to eliminate duplicates Z: 53 75.341 2.356 1.190 0.810 0.962 0.654 CB 1.608 53 residues pruned to eliminate duplicates Z: 85 70.753 2.213 1.064 0.717 0.940 0.643 CB 1.476 85 residues pruned to eliminate duplicates Z: 24 51.739 2.251 1.118 0.948 1.000 0.652 CA 1.563 24 residues pruned to eliminate duplicates Z: 15 18.840 1.914 1.131 0.649 0.857 0.643 CB 1.254 15 residues pruned to eliminate duplicates Z: 13 29.464 2.056 1.231 0.763 0.917 0.750 CA 1.602 13 residues pruned to eliminate duplicates Z: 13 24.711 2.092 1.269 0.753 0.833 0.750 CA 1.440 13 residues pruned to eliminate duplicates Z: 13 26.629 2.184 1.199 0.748 0.833 0.667 CA 1.540 13 residues pruned to eliminate duplicates Z: 13 22.842 2.120 1.292 0.714 0.750 0.583 CA 1.491 13 residues pruned to eliminate duplicates Z: 14 24.602 1.921 1.074 0.758 0.923 0.692 CB 1.475 14 residues pruned to eliminate duplicates Z: 17 19.289 1.951 1.296 0.624 0.750 0.562 CB 1.277 17 residues pruned to eliminate duplicates Z: 13 26.016 2.142 1.302 0.750 0.833 0.583 CB 1.462 13 residues pruned to eliminate duplicates Z: 34 35.035 2.107 0.973 0.688 0.909 0.606 CB 1.359 34 residues pruned to eliminate duplicates Z: 14 25.413 2.016 1.266 0.737 0.846 0.615 CA 1.475 14 residues pruned to eliminate duplicates Z: 35 34.546 2.065 0.989 0.668 0.882 0.706 CB 1.399 35 residues pruned to eliminate duplicates Z: 21 24.008 2.123 0.796 0.706 0.900 0.750 CB 1.297 21 residues pruned to eliminate duplicates Z: 21 25.363 2.081 0.869 0.703 0.950 0.800 CB 1.277 21 residues pruned to eliminate duplicates Z: 24 30.367 2.138 0.871 0.815 0.957 0.783 CB 1.258 24 residues pruned to eliminate duplicates Z: 22 33.117 2.137 0.897 0.932 1.000 0.714 CB 1.244 22 residues pruned to eliminate duplicates Z: 23 32.935 2.204 0.865 0.822 1.000 0.909 CB 1.292 23 residues pruned to eliminate duplicates Z: 25 26.951 2.088 0.731 0.750 1.000 0.750 CB 1.218 25 residues pruned to eliminate duplicates Z: 24 28.491 2.147 0.819 0.782 0.957 0.739 CB 1.241 24 residues pruned to eliminate duplicates Z: 24 29.670 2.152 0.890 0.781 0.957 0.783 CB 1.241 24 residues pruned to eliminate duplicates Z: 23 34.192 2.204 0.919 0.822 1.000 0.773 CB 1.304 23 residues pruned to eliminate duplicates Z: 25 31.578 2.086 0.977 0.824 0.958 0.833 CB 1.232 33 residues pruned to eliminate duplicates Z: 23 32.828 2.185 0.995 0.811 0.955 0.682 CB 1.282 23 residues pruned to eliminate duplicates Z: 24 31.815 2.142 0.904 0.783 1.000 0.696 CB 1.268 24 residues pruned to eliminate duplicates Z: 23 34.945 2.201 0.982 0.824 1.000 0.773 CB 1.290 23 residues pruned to eliminate duplicates Z: 24 30.568 2.136 0.952 0.788 0.957 0.739 CB 1.241 24 residues pruned to eliminate duplicates Z: 22 30.500 2.072 0.819 0.933 1.000 0.810 CB 1.232 22 residues pruned to eliminate duplicates Z: 25 26.441 2.059 0.789 0.787 0.875 0.792 CB 1.301 25 residues pruned to eliminate duplicates Z: 24 27.165 2.122 0.701 0.812 0.957 0.609 CB 1.250 24 residues pruned to eliminate duplicates Z: 8 8.800 2.120 0.399 0.471 1.000 0.857 CB 1.155 8 residues pruned to eliminate duplicates 183 residues left after pruning, divided into chains as follows: A: 183 CC for partial structure against native data = 46.98 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.457, Connect. = 0.772 for dens.mod. cycle 1 = 0.300, Contrast = 0.520, Connect. = 0.793 for dens.mod. cycle 2 = 0.300, Contrast = 0.615, Connect. = 0.812 for dens.mod. cycle 3 = 0.300, Contrast = 0.621, Connect. = 0.812 for dens.mod. cycle 4 = 0.300, Contrast = 0.631, Connect. = 0.813 for dens.mod. cycle 5 = 0.300, Contrast = 0.634, Connect. = 0.814 for dens.mod. cycle 6 = 0.300, Contrast = 0.640, Connect. = 0.815 for dens.mod. cycle 7 = 0.300, Contrast = 0.642, Connect. = 0.816 for dens.mod. cycle 8 = 0.300, Contrast = 0.644, Connect. = 0.817 for dens.mod. cycle 9 TimeTaking 90.35