++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 15:21:20 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: ./2ghs-1.6-parrot-hancs/2ghs-1.6-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2ghs-1.6-parrot-hancs/2ghs-1.6-parrot-hancs.ins Phases from ./2ghs-1.6-parrot-hancs/2ghs-1.6-parrot-hancs.phi Native data from ./2ghs-1.6-parrot-hancs/2ghs-1.6-parrot-hancs.hkl Listing output to ./2ghs-1.6-parrot-hancs/2ghs-1.6-parrot-hancs.lst Phases output to ./2ghs-1.6-parrot-hancs/2ghs-1.6-parrot-hancs.phs Poly-Ala trace output to ./2ghs-1.6-parrot-hancs/2ghs-1.6-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 21 21 21 Allowed origin shift code: 4 32435 Reflections read from file ./2ghs-1.6-parrot-hancs/2ghs-1.6-parrot-hancs.phi 32435 Reflections read from file ./2ghs-1.6-parrot-hancs/2ghs-1.6-parrot-hancs.hkl 32435 Unique data, highest resolution = 1.551 Angstroms Anisotropic scaling: intensities multiplied by 0.000728h^2 +0.000190k^2 -0.000259l^2 +0.000000kl +0.000000hl +0.000000hk 2030 Reflections with d > 1.751 and 0 in range 1.751 > d > 1.551 added Density sharpening factor set to 1.42 Fourier grid = 128 x 256 x 35 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.720 = 0.300, Contrast = 0.399, Connect. = 0.760 for dens.mod. cycle 1 = 0.300, Contrast = 0.473, Connect. = 0.774 for dens.mod. cycle 2 = 0.300, Contrast = 0.551, Connect. = 0.791 for dens.mod. cycle 3 = 0.300, Contrast = 0.572, Connect. = 0.795 for dens.mod. cycle 4 = 0.300, Contrast = 0.583, Connect. = 0.797 for dens.mod. cycle 5 = 0.300, Contrast = 0.590, Connect. = 0.799 for dens.mod. cycle 6 = 0.300, Contrast = 0.595, Connect. = 0.799 for dens.mod. cycle 7 = 0.300, Contrast = 0.599, Connect. = 0.799 for dens.mod. cycle 8 = 0.300, Contrast = 0.602, Connect. = 0.800 for dens.mod. cycle 9 = 0.300, Contrast = 0.604, Connect. = 0.799 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1799 peaks > 0.5 sigma used to seed fragment search Space for about 314 unique residues taking solvent into account 355 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 15.396 2.066 0.642 0.397 1.000 0.571 CB 1.352 B: 39 32.638 2.066 1.083 0.467 0.921 0.658 CB 1.382 C: 54 29.245 2.030 0.849 0.436 0.925 0.585 CB 1.237 D: 17 12.153 1.838 0.912 0.393 0.750 0.438 CB 1.291 E: 13 17.978 2.158 0.664 0.477 1.000 0.667 CB 1.480 13 residues pruned to eliminate duplicates F: 39 26.733 2.108 1.053 0.359 0.895 0.605 CB 1.304 40 residues pruned to eliminate duplicates G: 49 30.921 2.130 0.897 0.381 0.938 0.542 CB 1.337 48 residues pruned to eliminate duplicates H: 13 19.557 2.134 0.701 0.505 1.000 0.583 CB 1.547 15 residues pruned to eliminate duplicates I: 25 15.831 1.969 0.755 0.371 0.917 0.583 CB 1.171 J: 10 8.809 1.956 0.616 0.615 0.889 0.444 CB 0.938 K: 17 14.503 2.084 0.915 0.372 0.875 0.625 CB 1.191 L: 53 25.439 2.010 0.729 0.404 0.865 0.596 CB 1.298 40 residues pruned to eliminate duplicates M: 15 16.079 1.980 0.896 0.396 0.929 0.500 CB 1.375 16 residues pruned to eliminate duplicates N: 12 18.482 2.116 0.907 0.470 0.909 0.727 CB 1.566 6 residues pruned to eliminate duplicates O: 30 20.224 2.051 0.907 0.394 0.862 0.586 CB 1.245 24 residues pruned to eliminate duplicates P: 9 4.722 1.881 0.413 0.303 0.750 0.750 CB 1.043 Q: 12 18.102 2.123 0.681 0.614 1.000 0.727 CB 1.373 12 residues pruned to eliminate duplicates R: 19 12.031 2.014 0.503 0.344 0.944 0.500 CB 1.175 10 residues pruned to eliminate duplicates S: 35 20.290 2.075 0.880 0.397 0.824 0.500 CB 1.208 30 residues pruned to eliminate duplicates T: 8 8.062 1.902 0.425 0.728 0.857 0.714 CB 1.068 8 residues pruned to eliminate duplicates U: 13 17.019 2.142 0.754 0.433 0.917 0.583 CB 1.528 13 residues pruned to eliminate duplicates V: 21 24.553 2.003 1.176 0.452 0.900 0.550 CB 1.470 21 residues pruned to eliminate duplicates W: 15 16.591 2.047 0.760 0.431 1.000 0.714 CB 1.321 15 residues pruned to eliminate duplicates X: 10 8.996 1.965 1.051 0.358 0.778 0.444 CB 1.116 59 residues pruned to eliminate duplicates Y: 6 21.824 2.350 1.164 0.641 1.000 0.800 CB 1.682 8 residues pruned to eliminate duplicates Z: 15 17.188 2.055 0.691 0.508 0.929 0.643 CB 1.412 15 residues pruned to eliminate duplicates Z: 32 22.124 2.044 0.877 0.341 0.871 0.677 CB 1.415 Z: 40 24.109 2.125 0.905 0.352 0.846 0.487 CB 1.324 40 residues pruned to eliminate duplicates Z: 31 19.160 2.075 0.699 0.270 1.000 0.567 CB 1.288 31 residues pruned to eliminate duplicates Z: 15 11.728 1.916 0.607 0.364 0.929 0.500 CB 1.268 15 residues pruned to eliminate duplicates Z: 59 30.098 2.088 0.809 0.405 0.897 0.500 CB 1.290 59 residues pruned to eliminate duplicates Z: 7 12.846 1.952 0.813 0.735 0.833 0.833 CA 1.440 7 residues pruned to eliminate duplicates Z: 8 11.327 2.036 0.856 0.445 0.857 0.714 CA 1.399 8 residues pruned to eliminate duplicates Z: 13 17.315 2.105 0.833 0.431 1.000 0.583 CB 1.392 13 residues pruned to eliminate duplicates Z: 12 7.624 1.950 0.819 0.339 0.818 0.545 CB 0.944 12 residues pruned to eliminate duplicates Z: 23 9.806 1.927 0.601 0.264 0.773 0.545 CB 1.147 Z: 9 15.715 1.872 1.081 0.557 0.875 0.875 CA 1.543 7 residues pruned to eliminate duplicates Z: 17 9.595 1.935 0.653 0.461 0.750 0.500 CB 1.040 17 residues pruned to eliminate duplicates Z: 9 11.957 1.846 0.737 0.570 0.875 0.625 CA 1.408 9 residues pruned to eliminate duplicates Z: 18 8.256 1.968 0.522 0.216 0.882 0.471 CB 1.059 18 residues pruned to eliminate duplicates Z: 35 17.992 2.016 0.652 0.341 0.912 0.529 CB 1.208 42 residues pruned to eliminate duplicates Z: 23 19.274 2.054 0.783 0.415 0.864 0.591 CB 1.419 Z: 21 11.271 1.842 0.711 0.319 0.700 0.400 CB 1.395 21 residues pruned to eliminate duplicates Z: 6 4.384 1.683 0.852 0.431 0.600 0.600 CB 1.127 6 residues pruned to eliminate duplicates Z: 25 19.231 1.950 0.788 0.406 0.958 0.625 CB 1.296 24 residues pruned to eliminate duplicates Z: 23 14.580 1.939 0.843 0.276 0.864 0.591 CB 1.299 23 residues pruned to eliminate duplicates Z: 39 27.285 2.092 0.895 0.454 0.842 0.658 CB 1.389 42 residues pruned to eliminate duplicates Z: 8 24.493 2.183 1.189 0.783 1.000 0.714 CB 1.510 3 residues pruned to eliminate duplicates Z: 12 11.503 1.664 0.911 0.615 0.909 0.818 CB 1.076 12 residues pruned to eliminate duplicates Z: 20 19.012 1.916 0.882 0.620 0.895 0.737 CB 1.207 15 residues pruned to eliminate duplicates Z: 38 25.535 2.139 0.849 0.346 0.919 0.541 CB 1.365 38 residues pruned to eliminate duplicates Z: 46 25.300 2.037 0.808 0.370 0.889 0.511 CB 1.324 46 residues pruned to eliminate duplicates Z: 7 5.869 1.994 -0.119 0.543 1.000 1.000 CA 1.307 7 residues pruned to eliminate duplicates Z: 38 27.565 2.205 0.825 0.369 0.919 0.486 CB 1.410 38 residues pruned to eliminate duplicates Z: 20 18.789 2.175 1.093 0.477 0.842 0.632 CB 1.151 20 residues pruned to eliminate duplicates Z: 63 35.366 2.099 0.849 0.389 0.919 0.613 CB 1.415 58 residues pruned to eliminate duplicates Z: 7 11.498 2.136 0.570 0.694 0.833 0.667 CB 1.406 7 residues pruned to eliminate duplicates Z: 53 29.424 2.041 0.885 0.375 0.885 0.577 CB 1.370 53 residues pruned to eliminate duplicates Z: 36 31.691 2.064 1.043 0.443 0.914 0.629 CB 1.474 36 residues pruned to eliminate duplicates Z: 41 20.768 2.007 0.863 0.355 0.750 0.575 CB 1.369 35 residues pruned to eliminate duplicates Z: 13 11.996 1.916 1.222 0.494 0.750 0.500 CB 1.091 13 residues pruned to eliminate duplicates Z: 31 16.740 1.891 0.838 0.398 0.833 0.700 CB 1.175 57 residues pruned to eliminate duplicates Z: 19 17.171 1.992 0.759 0.480 0.889 0.556 CB 1.327 19 residues pruned to eliminate duplicates Z: 12 16.301 1.904 1.229 0.503 0.727 0.545 N 1.589 12 residues pruned to eliminate duplicates Z: 30 27.305 2.084 0.850 0.466 0.966 0.655 CB 1.410 30 residues pruned to eliminate duplicates Z: 12 10.741 2.018 0.801 0.427 0.818 0.636 CB 1.176 12 residues pruned to eliminate duplicates Z: 7 10.855 1.912 0.815 0.683 0.833 0.667 CB 1.295 7 residues pruned to eliminate duplicates Z: 16 10.507 1.920 0.796 0.244 0.867 0.467 CB 1.221 12 residues pruned to eliminate duplicates Z: 24 16.272 1.839 0.836 0.472 0.826 0.609 CB 1.252 24 residues pruned to eliminate duplicates Z: 41 22.573 2.013 0.859 0.317 0.900 0.425 CB 1.298 40 residues pruned to eliminate duplicates Z: 30 19.031 2.003 0.840 0.390 0.862 0.655 CB 1.249 30 residues pruned to eliminate duplicates Z: 45 22.237 2.060 0.862 0.336 0.818 0.545 CB 1.277 40 residues pruned to eliminate duplicates Z: 12 9.925 2.054 0.762 0.477 0.636 0.545 CB 1.330 12 residues pruned to eliminate duplicates Z: 68 30.352 2.046 0.917 0.353 0.940 0.537 CB 1.178 58 residues pruned to eliminate duplicates Z: 44 25.738 2.021 0.914 0.385 0.884 0.512 CB 1.296 44 residues pruned to eliminate duplicates Z: 27 17.145 1.966 0.729 0.458 0.885 0.654 CB 1.168 33 residues pruned to eliminate duplicates Z: 20 9.743 1.954 0.559 0.290 0.789 0.421 CB 1.176 20 residues pruned to eliminate duplicates Z: 42 20.765 2.025 0.674 0.369 0.927 0.512 CB 1.188 70 residues pruned to eliminate duplicates Z: 7 14.427 2.137 0.627 0.586 1.000 0.833 CB 1.561 Z: 10 6.100 2.100 0.327 0.365 0.778 0.556 CB 1.085 10 residues pruned to eliminate duplicates Z: 39 24.772 2.078 0.818 0.391 0.868 0.579 CB 1.375 39 residues pruned to eliminate duplicates Z: 40 21.861 2.093 0.761 0.391 0.897 0.538 CB 1.188 40 residues pruned to eliminate duplicates Z: 13 8.619 1.816 0.679 0.321 0.833 0.333 CB 1.192 13 residues pruned to eliminate duplicates Z: 42 26.403 2.067 0.831 0.386 0.902 0.780 CB 1.363 42 residues pruned to eliminate duplicates Z: 8 18.536 2.046 1.406 0.682 1.000 0.857 CA 1.204 8 residues pruned to eliminate duplicates Z: 7 9.330 1.843 0.948 0.642 0.833 0.667 CB 1.114 7 residues pruned to eliminate duplicates Z: 44 23.719 1.971 0.816 0.425 0.860 0.605 CB 1.270 44 residues pruned to eliminate duplicates Z: 33 13.791 1.897 0.444 0.307 0.906 0.656 CB 1.218 33 residues pruned to eliminate duplicates Z: 7 3.950 1.962 0.562 0.431 0.833 0.667 CB 0.678 7 residues pruned to eliminate duplicates Z: 10 10.681 1.721 0.910 0.604 0.778 0.444 CB 1.262 7 residues pruned to eliminate duplicates Z: 23 15.154 2.126 0.782 0.431 0.864 0.500 CB 1.061 23 residues pruned to eliminate duplicates Z: 18 14.072 1.978 0.698 0.570 0.882 0.647 CB 1.076 Z: 26 16.917 2.077 0.756 0.305 0.840 0.440 CB 1.371 26 residues pruned to eliminate duplicates Z: 58 28.128 2.067 0.667 0.360 0.912 0.579 CB 1.378 58 residues pruned to eliminate duplicates Z: 57 26.399 2.046 0.814 0.379 0.875 0.500 CB 1.236 57 residues pruned to eliminate duplicates Z: 48 29.899 2.142 0.883 0.373 0.915 0.511 CB 1.354 48 residues pruned to eliminate duplicates Z: 31 29.889 2.063 0.976 0.471 0.967 0.567 CB 1.426 31 residues pruned to eliminate duplicates Z: 37 13.445 1.926 0.529 0.316 0.861 0.556 CB 1.084 37 residues pruned to eliminate duplicates Z: 18 13.885 2.074 0.707 0.371 0.882 0.471 CB 1.237 18 residues pruned to eliminate duplicates Z: 14 6.061 1.602 0.732 0.446 0.846 0.462 CB 0.757 Z: 32 26.273 2.028 0.949 0.427 0.903 0.548 CB 1.426 32 residues pruned to eliminate duplicates Z: 29 18.396 2.015 0.818 0.348 0.857 0.464 CB 1.305 29 residues pruned to eliminate duplicates Z: 32 16.350 2.012 0.853 0.306 0.871 0.581 CB 1.122 32 residues pruned to eliminate duplicates Z: 28 14.737 1.965 0.509 0.347 0.963 0.667 CB 1.173 28 residues pruned to eliminate duplicates Z: 32 16.432 2.042 0.642 0.312 0.839 0.419 CB 1.293 32 residues pruned to eliminate duplicates Z: 43 23.281 2.077 0.974 0.345 0.881 0.500 CB 1.177 43 residues pruned to eliminate duplicates Z: 31 20.215 2.075 0.866 0.353 0.900 0.567 CB 1.241 31 residues pruned to eliminate duplicates Z: 12 4.526 1.621 0.470 0.299 0.818 0.455 CB 0.876 Z: 13 11.656 1.886 0.687 0.448 0.833 0.500 CB 1.339 13 residues pruned to eliminate duplicates Z: 31 17.173 1.990 0.876 0.300 0.800 0.567 CB 1.312 31 residues pruned to eliminate duplicates Z: 28 12.984 1.939 0.498 0.340 0.889 0.630 CB 1.152 28 residues pruned to eliminate duplicates Z: 11 11.251 1.868 0.578 0.575 0.900 0.800 CB 1.247 11 residues pruned to eliminate duplicates Z: 23 19.298 1.973 0.641 0.455 0.955 0.545 CB 1.393 23 residues pruned to eliminate duplicates Z: 9 10.449 1.956 0.893 0.515 0.750 0.625 CB 1.311 9 residues pruned to eliminate duplicates Z: 31 30.034 2.076 1.008 0.462 0.900 0.633 CB 1.519 31 residues pruned to eliminate duplicates Z: 18 15.472 2.056 0.720 0.450 0.882 0.647 CB 1.265 18 residues pruned to eliminate duplicates Z: 40 17.859 1.954 0.827 0.262 0.846 0.436 CB 1.242 40 residues pruned to eliminate duplicates Z: 7 11.649 2.218 0.953 0.591 0.833 0.667 CB 1.207 7 residues pruned to eliminate duplicates Z: 9 16.159 1.940 0.578 0.799 1.000 0.875 CB 1.436 9 residues pruned to eliminate duplicates Z: 22 14.774 1.942 0.903 0.449 0.714 0.476 CB 1.287 22 residues pruned to eliminate duplicates Z: 6 4.043 1.228 0.193 0.646 1.000 0.600 CA 1.076 6 residues pruned to eliminate duplicates Z: 19 12.239 1.830 0.775 0.561 0.944 0.556 CB 0.886 19 residues pruned to eliminate duplicates Z: 11 13.496 1.943 0.731 0.607 0.800 0.600 CB 1.433 11 residues pruned to eliminate duplicates Z: 40 29.252 2.153 0.982 0.386 0.897 0.564 CB 1.380 40 residues pruned to eliminate duplicates Z: 10 12.116 1.760 0.870 0.609 0.889 0.778 CB 1.245 10 residues pruned to eliminate duplicates Z: 11 8.586 1.877 0.860 0.518 0.800 0.600 CB 0.955 11 residues pruned to eliminate duplicates Z: 6 4.308 1.791 0.384 0.320 0.800 0.600 CA 1.185 6 residues pruned to eliminate duplicates Z: 11 10.733 1.828 0.738 0.578 0.800 0.600 CB 1.239 11 residues pruned to eliminate duplicates Z: 9 9.228 1.965 0.571 0.463 1.000 0.500 CB 1.097 9 residues pruned to eliminate duplicates Z: 11 10.949 1.737 0.972 0.451 0.800 0.500 CB 1.328 11 residues pruned to eliminate duplicates Z: 25 19.464 1.962 1.011 0.413 0.917 0.625 CB 1.203 25 residues pruned to eliminate duplicates Z: 36 15.296 1.929 0.570 0.321 0.857 0.400 CB 1.213 36 residues pruned to eliminate duplicates Z: 50 23.240 2.015 0.839 0.341 0.857 0.490 CB 1.243 50 residues pruned to eliminate duplicates Z: 15 16.190 1.879 0.767 0.527 1.000 0.643 CB 1.270 15 residues pruned to eliminate duplicates Z: 9 8.834 1.830 0.347 0.648 1.000 1.000 CB 1.103 9 residues pruned to eliminate duplicates Z: 29 16.180 1.935 1.024 0.384 0.786 0.571 CB 1.124 29 residues pruned to eliminate duplicates Z: 15 5.532 1.599 0.776 0.324 0.714 0.643 CB 0.885 15 residues pruned to eliminate duplicates Z: 36 31.563 2.067 0.984 0.474 0.886 0.600 CB 1.507 36 residues pruned to eliminate duplicates Z: 23 10.883 1.997 0.789 0.364 0.773 0.500 CB 0.973 23 residues pruned to eliminate duplicates Z: 7 3.629 1.765 0.339 0.361 0.833 0.833 CB 0.874 7 residues pruned to eliminate duplicates Z: 6 9.793 1.537 0.722 0.785 1.000 0.600 CA 1.288 6 residues pruned to eliminate duplicates Z: 54 28.010 1.999 0.901 0.366 0.887 0.528 CB 1.318 54 residues pruned to eliminate duplicates Z: 41 14.479 1.868 0.440 0.379 0.900 0.650 CB 1.076 55 residues pruned to eliminate duplicates Z: 28 22.079 2.138 0.958 0.378 0.889 0.519 CB 1.300 28 residues pruned to eliminate duplicates Z: 41 22.181 2.022 0.870 0.340 0.900 0.575 CB 1.227 41 residues pruned to eliminate duplicates Z: 26 18.097 2.004 0.577 0.450 0.920 0.680 CB 1.311 26 residues pruned to eliminate duplicates Z: 22 15.886 1.836 0.955 0.453 0.952 0.762 CB 1.064 22 residues pruned to eliminate duplicates Z: 13 11.122 1.940 0.798 0.475 0.917 0.667 CB 1.030 13 residues pruned to eliminate duplicates Z: 15 18.410 2.137 0.617 0.627 0.929 0.714 CB 1.360 15 residues pruned to eliminate duplicates Z: 9 10.206 1.960 0.682 0.629 0.875 0.625 CB 1.108 9 residues pruned to eliminate duplicates Z: 19 11.426 1.984 0.464 0.370 0.944 0.611 CB 1.128 19 residues pruned to eliminate duplicates Z: 14 18.768 2.134 0.781 0.523 0.923 0.769 CB 1.450 14 residues pruned to eliminate duplicates Z: 35 19.295 1.998 0.555 0.426 0.971 0.647 CB 1.185 35 residues pruned to eliminate duplicates Z: 14 19.524 2.039 0.703 0.586 1.000 0.769 CB 1.436 14 residues pruned to eliminate duplicates Z: 35 16.417 1.962 0.556 0.365 0.912 0.706 CB 1.170 35 residues pruned to eliminate duplicates Z: 9 11.349 1.911 0.566 0.569 1.000 0.750 CA 1.254 9 residues pruned to eliminate duplicates Z: 6 9.687 1.631 0.920 0.723 1.000 1.000 CB 1.131 5 residues pruned to eliminate duplicates Z: 58 23.443 1.975 0.810 0.344 0.860 0.474 CB 1.197 58 residues pruned to eliminate duplicates Z: 9 6.603 1.727 0.557 0.388 1.000 0.500 CB 0.978 9 residues pruned to eliminate duplicates Z: 14 7.291 1.690 0.814 0.434 0.846 0.462 CB 0.834 14 residues pruned to eliminate duplicates Z: 30 26.561 2.103 0.892 0.418 0.931 0.483 CB 1.451 30 residues pruned to eliminate duplicates Z: 19 22.044 2.070 0.869 0.506 1.000 0.722 CB 1.335 19 residues pruned to eliminate duplicates Z: 18 13.811 1.966 0.647 0.516 0.882 0.647 CB 1.154 18 residues pruned to eliminate duplicates Z: 51 17.536 2.045 0.687 0.333 0.860 0.580 CB 1.003 51 residues pruned to eliminate duplicates Z: 37 25.020 2.160 0.794 0.394 0.917 0.611 CB 1.313 37 residues pruned to eliminate duplicates Z: 18 12.392 1.885 1.044 0.454 1.000 0.471 CB 0.818 18 residues pruned to eliminate duplicates Z: 30 23.438 2.044 0.776 0.447 0.966 0.621 CB 1.312 30 residues pruned to eliminate duplicates Z: 7 7.096 1.935 0.494 0.389 0.833 0.500 CB 1.352 4 residues pruned to eliminate duplicates Z: 41 21.683 2.033 0.546 0.357 0.925 0.500 CB 1.376 60 residues pruned to eliminate duplicates Z: 27 12.904 1.989 0.417 0.331 0.885 0.615 CB 1.221 27 residues pruned to eliminate duplicates Z: 22 15.927 2.052 0.909 0.468 0.857 0.762 CB 1.069 22 residues pruned to eliminate duplicates Z: 24 18.211 2.029 0.865 0.449 0.913 0.565 CB 1.158 24 residues pruned to eliminate duplicates Z: 16 7.091 1.701 0.614 0.345 0.733 0.467 CB 1.076 16 residues pruned to eliminate duplicates Z: 26 30.324 2.143 1.044 0.486 0.960 0.680 CB 1.463 26 residues pruned to eliminate duplicates Z: 6 3.793 1.525 0.054 0.503 0.800 0.400 CB 1.315 Z: 20 20.589 2.171 1.164 0.477 0.842 0.526 CB 1.222 20 residues pruned to eliminate duplicates Z: 19 14.187 1.936 0.780 0.535 0.833 0.611 CB 1.125 19 residues pruned to eliminate duplicates Z: 9 10.664 2.150 0.468 0.692 1.000 0.625 CB 1.002 10 residues pruned to eliminate duplicates Z: 13 5.054 1.666 0.073 0.316 0.917 0.333 CB 1.092 13 residues pruned to eliminate duplicates Z: 9 12.858 2.021 0.899 0.423 0.875 0.625 CB 1.466 9 residues pruned to eliminate duplicates Z: 6 4.626 1.480 0.740 0.540 0.800 0.600 C 0.966 6 residues pruned to eliminate duplicates Z: 8 4.497 2.010 0.270 0.225 0.857 0.429 CB 1.072 8 residues pruned to eliminate duplicates Z: 6 6.945 1.498 0.979 0.562 0.800 0.400 O 1.233 7 residues pruned to eliminate duplicates Z: 28 11.592 1.968 0.356 0.299 0.889 0.667 CB 1.176 28 residues pruned to eliminate duplicates Z: 17 13.162 1.965 0.970 0.440 0.938 0.500 CB 0.965 17 residues pruned to eliminate duplicates Z: 7 3.197 1.375 0.332 0.475 0.833 0.667 CB 0.878 Z: 14 13.267 2.017 0.956 0.333 0.846 0.615 CB 1.324 14 residues pruned to eliminate duplicates Z: 11 19.905 2.197 0.998 0.521 0.900 0.700 CB 1.561 Z: 20 10.100 1.786 0.697 0.374 0.842 0.474 CB 1.039 20 residues pruned to eliminate duplicates Z: 28 24.213 2.028 0.954 0.463 0.963 0.593 CB 1.268 28 residues pruned to eliminate duplicates Z: 20 16.746 2.111 0.991 0.485 0.789 0.579 CB 1.175 20 residues pruned to eliminate duplicates Z: 23 23.305 2.017 0.859 0.457 1.000 0.591 CB 1.385 23 residues pruned to eliminate duplicates Z: 7 14.457 1.886 0.973 0.678 1.000 0.833 CB 1.346 7 residues pruned to eliminate duplicates Z: 23 16.484 1.844 0.862 0.494 0.864 0.591 CB 1.192 23 residues pruned to eliminate duplicates Z: 7 4.126 1.440 0.505 0.404 0.833 0.667 CA 1.032 Z: 6 4.207 1.860 0.270 0.336 1.000 0.800 CB 0.953 6 residues pruned to eliminate duplicates Z: 24 16.898 1.961 0.751 0.419 0.913 0.435 CB 1.223 24 residues pruned to eliminate duplicates Z: 12 14.021 1.778 1.013 0.492 0.818 0.545 CB 1.456 12 residues pruned to eliminate duplicates Z: 12 17.354 2.057 0.935 0.628 0.818 0.727 CB 1.424 15 residues pruned to eliminate duplicates Z: 35 27.081 2.058 0.917 0.358 0.941 0.588 CB 1.457 35 residues pruned to eliminate duplicates Z: 34 23.267 2.082 0.877 0.387 0.909 0.515 CB 1.285 34 residues pruned to eliminate duplicates Z: 8 6.798 1.690 0.294 0.627 0.857 0.571 C 1.217 8 residues pruned to eliminate duplicates Z: 13 6.006 1.651 0.398 0.420 0.750 0.500 CB 1.089 13 residues pruned to eliminate duplicates Z: 41 28.108 2.101 0.826 0.400 0.925 0.600 CB 1.392 41 residues pruned to eliminate duplicates Z: 9 2.416 1.377 0.086 0.374 0.625 0.375 N 1.046 Z: 11 17.466 1.989 1.057 0.604 0.800 0.700 CB 1.529 11 residues pruned to eliminate duplicates Z: 10 22.174 2.063 0.869 0.755 1.000 0.889 CB 1.527 12 residues pruned to eliminate duplicates Z: 6 2.106 1.515 0.301 0.185 0.600 0.400 CB 1.163 Z: 10 11.095 1.954 0.516 0.680 0.889 0.667 CB 1.190 10 residues pruned to eliminate duplicates Z: 6 3.232 1.498 -0.012 0.677 1.000 1.000 CB 0.830 Z: 28 13.653 1.961 0.503 0.340 0.815 0.556 CB 1.302 28 residues pruned to eliminate duplicates Z: 34 23.754 2.114 0.958 0.346 0.939 0.485 CB 1.256 34 residues pruned to eliminate duplicates Z: 18 20.996 2.115 0.726 0.537 1.000 0.647 CB 1.345 18 residues pruned to eliminate duplicates Z: 12 7.137 1.966 0.749 0.319 0.818 0.455 CB 0.934 Z: 11 9.305 1.826 0.686 0.472 0.900 0.500 CA 1.092 11 residues pruned to eliminate duplicates Z: 20 22.468 1.921 0.962 0.471 0.947 0.579 CB 1.486 20 residues pruned to eliminate duplicates Z: 7 11.844 1.980 0.783 0.675 0.833 0.667 CB 1.400 7 residues pruned to eliminate duplicates Z: 17 16.794 2.012 0.995 0.506 0.875 0.625 CB 1.189 17 residues pruned to eliminate duplicates Z: 48 27.081 2.005 0.789 0.379 0.915 0.511 CB 1.369 48 residues pruned to eliminate duplicates Z: 22 11.257 1.861 0.674 0.339 0.905 0.619 CB 1.038 22 residues pruned to eliminate duplicates 263 residues left after pruning, divided into chains as follows: A: 145 B: 9 C: 19 D: 12 E: 78 CC for partial structure against native data = 40.51 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.384, Connect. = 0.736 for dens.mod. cycle 1 = 0.300, Contrast = 0.449, Connect. = 0.763 for dens.mod. cycle 2 = 0.300, Contrast = 0.538, Connect. = 0.789 for dens.mod. cycle 3 = 0.300, Contrast = 0.550, Connect. = 0.791 for dens.mod. cycle 4 = 0.300, Contrast = 0.562, Connect. = 0.793 for dens.mod. cycle 5 = 0.300, Contrast = 0.570, Connect. = 0.794 for dens.mod. cycle 6 = 0.300, Contrast = 0.578, Connect. = 0.796 for dens.mod. cycle 7 = 0.300, Contrast = 0.583, Connect. = 0.797 for dens.mod. cycle 8 = 0.300, Contrast = 0.588, Connect. = 0.797 for dens.mod. cycle 9 = 0.300, Contrast = 0.591, Connect. = 0.798 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1951 peaks > 0.5 sigma used to seed fragment search Space for about 314 unique residues taking solvent into account 384 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 31 33.834 2.142 0.974 0.465 0.967 0.667 CB 1.567 B: 13 18.338 2.101 0.701 0.483 1.000 0.667 CB 1.507 C: 16 19.102 2.169 0.590 0.515 0.867 0.667 CB 1.626 12 residues pruned to eliminate duplicates D: 9 11.303 1.931 0.645 0.644 0.875 0.500 CB 1.257 E: 55 30.071 2.073 0.826 0.366 0.870 0.556 CB 1.434 F: 25 17.610 2.159 0.735 0.383 0.792 0.500 CB 1.372 G: 25 11.922 1.882 0.536 0.331 0.917 0.542 CB 1.105 10 residues pruned to eliminate duplicates H: 69 31.952 2.098 0.693 0.376 0.912 0.515 CB 1.367 69 residues pruned to eliminate duplicates I: 13 15.891 2.093 0.630 0.492 0.917 0.417 CB 1.479 13 residues pruned to eliminate duplicates J: 8 7.820 1.956 0.335 0.513 0.857 0.571 CB 1.304 8 residues pruned to eliminate duplicates K: 12 18.971 2.151 0.706 0.603 1.000 0.636 CB 1.413 7 residues pruned to eliminate duplicates L: 30 34.548 2.167 0.920 0.480 0.931 0.621 CB 1.690 30 residues pruned to eliminate duplicates M: 27 29.152 2.158 0.951 0.428 0.962 0.538 CB 1.522 28 residues pruned to eliminate duplicates N: 15 9.494 1.897 0.594 0.321 0.857 0.500 CB 1.193 O: 31 37.748 2.185 0.984 0.460 0.967 0.667 CB 1.714 30 residues pruned to eliminate duplicates P: 31 34.752 2.130 0.997 0.465 0.967 0.567 CB 1.599 31 residues pruned to eliminate duplicates Q: 19 17.034 1.947 0.877 0.584 0.944 0.722 CB 1.073 15 residues pruned to eliminate duplicates R: 18 12.094 1.978 0.441 0.411 0.824 0.588 CB 1.372 S: 20 24.461 2.156 0.858 0.457 0.947 0.579 CB 1.546 20 residues pruned to eliminate duplicates T: 13 15.290 2.097 0.631 0.482 0.833 0.667 CB 1.577 13 residues pruned to eliminate duplicates U: 9 10.774 1.953 0.660 0.677 0.875 0.625 CB 1.141 9 residues pruned to eliminate duplicates V: 13 18.132 2.039 0.728 0.478 1.000 0.667 CB 1.519 14 residues pruned to eliminate duplicates W: 31 31.883 2.138 0.984 0.468 0.933 0.600 CB 1.519 31 residues pruned to eliminate duplicates X: 29 18.882 2.066 0.742 0.364 0.893 0.571 CB 1.285 28 residues pruned to eliminate duplicates Y: 23 22.520 2.088 0.808 0.420 0.955 0.591 CB 1.449 23 residues pruned to eliminate duplicates Z: 21 22.383 2.135 0.722 0.440 0.950 0.550 CB 1.525 21 residues pruned to eliminate duplicates Z: 10 10.852 2.123 0.600 0.585 0.778 0.667 CB 1.262 10 residues pruned to eliminate duplicates Z: 9 11.429 1.990 0.341 0.505 1.000 0.625 CB 1.506 9 residues pruned to eliminate duplicates Z: 9 9.964 2.157 0.472 0.467 0.875 0.625 CB 1.312 9 residues pruned to eliminate duplicates Z: 55 37.477 2.199 0.843 0.378 0.944 0.537 CB 1.518 58 residues pruned to eliminate duplicates Z: 36 39.109 2.200 0.933 0.504 0.943 0.629 CB 1.641 31 residues pruned to eliminate duplicates Z: 42 22.438 2.110 0.630 0.357 0.829 0.585 CB 1.434 8 residues pruned to eliminate duplicates Z: 36 21.355 2.057 0.670 0.353 0.943 0.486 CB 1.306 Z: 20 19.550 2.037 0.733 0.471 0.895 0.579 CB 1.462 20 residues pruned to eliminate duplicates Z: 11 4.393 1.831 0.325 0.283 0.700 0.500 CB 1.045 11 residues pruned to eliminate duplicates Z: 28 13.308 1.976 0.445 0.402 0.815 0.556 CB 1.219 28 residues pruned to eliminate duplicates Z: 13 15.151 2.068 0.512 0.504 0.917 0.667 CB 1.520 13 residues pruned to eliminate duplicates Z: 35 22.372 2.126 0.737 0.371 0.853 0.647 CB 1.399 35 residues pruned to eliminate duplicates Z: 34 25.965 2.211 0.648 0.400 0.909 0.606 CB 1.516 34 residues pruned to eliminate duplicates Z: 17 15.591 2.002 0.680 0.445 0.812 0.438 CA 1.509 17 residues pruned to eliminate duplicates Z: 7 7.242 1.596 0.261 0.789 1.000 1.000 CA 1.140 7 residues pruned to eliminate duplicates Z: 63 42.016 2.201 0.864 0.409 0.919 0.645 CB 1.556 63 residues pruned to eliminate duplicates Z: 10 13.585 1.880 0.575 0.693 1.000 0.667 CB 1.282 10 residues pruned to eliminate duplicates Z: 12 18.185 2.120 0.560 0.556 1.000 0.818 CB 1.570 12 residues pruned to eliminate duplicates Z: 19 10.485 1.826 0.823 0.463 0.833 0.611 CB 0.925 19 residues pruned to eliminate duplicates Z: 19 20.162 2.117 0.585 0.540 0.944 0.778 CB 1.441 19 residues pruned to eliminate duplicates Z: 18 11.943 1.914 0.563 0.418 0.882 0.471 CB 1.196 19 residues pruned to eliminate duplicates Z: 6 3.968 1.521 0.747 0.515 0.600 0.600 N 1.097 6 residues pruned to eliminate duplicates Z: 51 19.101 2.098 0.498 0.337 0.820 0.560 CB 1.252 51 residues pruned to eliminate duplicates Z: 23 16.030 1.974 0.885 0.283 0.909 0.455 CB 1.291 23 residues pruned to eliminate duplicates Z: 19 15.176 2.045 0.563 0.366 1.000 0.500 CB 1.293 19 residues pruned to eliminate duplicates Z: 8 15.112 1.925 1.205 0.743 0.857 0.714 CB 1.263 8 residues pruned to eliminate duplicates Z: 26 14.639 1.984 0.615 0.330 0.800 0.480 CB 1.376 26 residues pruned to eliminate duplicates Z: 9 8.805 1.791 0.557 0.483 1.000 0.875 CA 1.136 9 residues pruned to eliminate duplicates Z: 30 15.349 2.018 0.411 0.294 0.862 0.586 CB 1.462 30 residues pruned to eliminate duplicates Z: 23 14.617 2.163 0.572 0.271 0.818 0.545 CB 1.453 23 residues pruned to eliminate duplicates Z: 57 29.008 2.097 0.772 0.331 0.875 0.554 CB 1.434 57 residues pruned to eliminate duplicates Z: 11 8.832 1.798 1.039 0.417 0.800 0.700 CB 1.038 11 residues pruned to eliminate duplicates Z: 37 20.109 2.022 0.650 0.359 0.917 0.583 CB 1.275 37 residues pruned to eliminate duplicates Z: 21 15.595 2.031 0.499 0.477 0.950 0.700 CB 1.234 21 residues pruned to eliminate duplicates Z: 31 34.185 2.130 0.901 0.479 0.933 0.633 CB 1.687 31 residues pruned to eliminate duplicates Z: 71 30.632 2.112 0.691 0.347 0.871 0.543 CB 1.389 71 residues pruned to eliminate duplicates Z: 61 29.056 2.179 0.718 0.312 0.883 0.533 CB 1.398 76 residues pruned to eliminate duplicates Z: 7 9.791 1.927 0.515 0.732 0.833 0.833 CA 1.334 7 residues pruned to eliminate duplicates Z: 15 16.110 2.012 0.657 0.437 1.000 0.643 CB 1.378 15 residues pruned to eliminate duplicates Z: 37 26.296 2.168 0.801 0.372 0.889 0.667 CB 1.449 37 residues pruned to eliminate duplicates Z: 49 24.349 2.044 0.674 0.401 0.854 0.583 CB 1.334 76 residues pruned to eliminate duplicates Z: 54 35.351 2.202 0.811 0.400 0.906 0.491 CB 1.494 54 residues pruned to eliminate duplicates Z: 18 17.056 1.802 0.854 0.527 0.941 0.706 CB 1.281 18 residues pruned to eliminate duplicates Z: 21 18.086 1.948 0.589 0.598 0.950 0.650 CB 1.253 19 residues pruned to eliminate duplicates Z: 13 14.400 2.057 0.511 0.459 1.000 0.667 CB 1.395 Z: 51 34.292 2.194 0.812 0.389 0.940 0.540 CB 1.460 51 residues pruned to eliminate duplicates Z: 13 12.089 1.925 0.454 0.535 0.917 0.583 CB 1.314 13 residues pruned to eliminate duplicates Z: 7 7.019 1.698 0.941 0.376 0.833 0.833 CB 1.191 Z: 38 24.003 2.158 0.680 0.374 0.865 0.622 CB 1.439 38 residues pruned to eliminate duplicates Z: 32 14.772 1.955 0.725 0.308 0.806 0.516 CB 1.207 33 residues pruned to eliminate duplicates Z: 26 15.159 2.060 0.388 0.380 0.920 0.560 CB 1.310 26 residues pruned to eliminate duplicates Z: 10 13.466 1.933 0.890 0.658 1.000 0.889 CB 1.061 Z: 30 31.823 2.151 0.799 0.457 0.931 0.586 CB 1.714 30 residues pruned to eliminate duplicates Z: 40 18.179 2.007 0.568 0.326 0.846 0.513 CB 1.323 40 residues pruned to eliminate duplicates Z: 69 35.108 2.092 0.807 0.349 0.926 0.529 CB 1.431 67 residues pruned to eliminate duplicates Z: 8 6.403 1.826 0.488 0.547 0.857 0.571 CB 0.992 8 residues pruned to eliminate duplicates Z: 41 23.451 2.121 0.764 0.337 0.800 0.600 CB 1.480 41 residues pruned to eliminate duplicates Z: 22 16.982 2.161 0.531 0.302 0.905 0.571 CB 1.544 22 residues pruned to eliminate duplicates Z: 21 15.865 1.911 0.630 0.421 0.950 0.750 CB 1.301 7 residues pruned to eliminate duplicates Z: 31 28.380 2.151 0.725 0.436 0.900 0.533 CB 1.658 31 residues pruned to eliminate duplicates Z: 32 14.659 1.936 0.484 0.294 0.871 0.516 CB 1.324 32 residues pruned to eliminate duplicates Z: 42 30.484 2.209 0.774 0.378 0.902 0.585 CB 1.534 42 residues pruned to eliminate duplicates Z: 43 30.336 2.215 0.854 0.381 0.929 0.619 CB 1.393 43 residues pruned to eliminate duplicates Z: 30 36.805 2.196 0.928 0.471 0.966 0.655 CB 1.721 30 residues pruned to eliminate duplicates Z: 41 16.934 1.973 0.568 0.347 0.850 0.475 CB 1.203 41 residues pruned to eliminate duplicates Z: 20 23.997 2.122 0.717 0.524 0.947 0.684 CB 1.558 20 residues pruned to eliminate duplicates Z: 9 8.948 1.873 0.523 0.371 1.000 0.500 CB 1.273 10 residues pruned to eliminate duplicates Z: 59 29.142 2.149 0.759 0.368 0.862 0.569 CB 1.352 59 residues pruned to eliminate duplicates Z: 38 20.872 2.012 0.727 0.356 0.892 0.568 CB 1.293 59 residues pruned to eliminate duplicates Z: 18 16.164 2.066 0.822 0.417 0.824 0.529 CB 1.380 18 residues pruned to eliminate duplicates Z: 17 6.875 1.749 0.423 0.262 0.812 0.375 CB 1.115 17 residues pruned to eliminate duplicates Z: 24 15.671 2.217 0.644 0.371 0.783 0.522 CB 1.314 24 residues pruned to eliminate duplicates Z: 22 20.040 1.988 0.734 0.510 0.952 0.571 CB 1.318 22 residues pruned to eliminate duplicates Z: 51 25.205 2.126 0.817 0.359 0.820 0.560 CB 1.311 51 residues pruned to eliminate duplicates Z: 11 6.629 1.563 0.653 0.342 0.900 0.600 CB 1.070 11 residues pruned to eliminate duplicates Z: 15 8.268 1.799 0.412 0.393 0.786 0.500 CB 1.240 15 residues pruned to eliminate duplicates Z: 13 14.204 1.956 0.748 0.477 0.833 0.417 CB 1.472 13 residues pruned to eliminate duplicates Z: 55 34.303 2.154 0.745 0.414 0.852 0.593 CB 1.594 55 residues pruned to eliminate duplicates Z: 7 12.972 2.218 1.035 0.567 0.833 0.667 CB 1.320 Z: 53 23.787 2.090 0.732 0.338 0.846 0.519 CB 1.285 53 residues pruned to eliminate duplicates Z: 31 24.761 2.208 0.808 0.308 0.933 0.500 CB 1.502 31 residues pruned to eliminate duplicates Z: 8 6.298 1.696 0.459 0.354 0.857 0.571 CB 1.315 8 residues pruned to eliminate duplicates Z: 21 11.931 1.936 0.423 0.273 0.950 0.650 CB 1.318 21 residues pruned to eliminate duplicates Z: 53 26.252 2.096 0.727 0.360 0.885 0.558 CB 1.323 63 residues pruned to eliminate duplicates Z: 53 29.337 2.137 0.842 0.345 0.885 0.481 CB 1.382 53 residues pruned to eliminate duplicates Z: 23 11.203 1.901 0.625 0.264 0.818 0.500 CB 1.236 23 residues pruned to eliminate duplicates Z: 23 23.980 2.082 0.775 0.432 1.000 0.545 CB 1.484 23 residues pruned to eliminate duplicates Z: 28 33.823 2.149 0.987 0.495 0.963 0.667 CB 1.590 28 residues pruned to eliminate duplicates Z: 22 22.622 2.124 0.703 0.419 1.000 0.667 CB 1.485 22 residues pruned to eliminate duplicates Z: 12 12.149 2.013 0.527 0.497 0.909 0.545 CB 1.315 12 residues pruned to eliminate duplicates Z: 28 13.517 2.094 0.520 0.337 0.778 0.519 CB 1.255 28 residues pruned to eliminate duplicates Z: 16 19.480 2.161 0.685 0.554 0.933 0.667 CB 1.405 16 residues pruned to eliminate duplicates Z: 8 4.054 1.394 0.602 0.346 0.714 0.429 CA 1.136 Z: 16 9.943 2.089 0.534 0.420 0.800 0.400 CB 1.088 Z: 15 9.558 1.758 0.542 0.385 0.857 0.571 CB 1.243 15 residues pruned to eliminate duplicates Z: 40 29.334 2.244 0.731 0.362 0.923 0.538 CB 1.519 40 residues pruned to eliminate duplicates Z: 12 9.921 1.707 0.862 0.467 0.818 0.545 CA 1.190 11 residues pruned to eliminate duplicates Z: 36 19.858 2.087 0.407 0.392 0.943 0.600 CB 1.359 36 residues pruned to eliminate duplicates Z: 19 14.567 1.934 0.573 0.556 0.944 0.611 CB 1.131 19 residues pruned to eliminate duplicates 6 1.808 1.326 0.300 0.149 0.800 0.400 CB 0.904 ? Z: 28 16.480 2.047 0.442 0.347 0.889 0.593 CB 1.428 28 residues pruned to eliminate duplicates Z: 11 10.657 1.971 0.487 0.503 0.900 0.700 CB 1.274 11 residues pruned to eliminate duplicates Z: 39 28.551 2.175 0.780 0.373 0.868 0.579 CB 1.578 39 residues pruned to eliminate duplicates Z: 47 24.188 2.018 0.667 0.411 0.891 0.652 CB 1.305 51 residues pruned to eliminate duplicates Z: 27 15.161 1.880 0.601 0.418 0.846 0.538 CB 1.273 27 residues pruned to eliminate duplicates Z: 32 36.080 2.128 1.064 0.462 0.935 0.516 CB 1.639 32 residues pruned to eliminate duplicates Z: 27 20.891 2.116 0.767 0.437 0.885 0.500 CB 1.321 27 residues pruned to eliminate duplicates Z: 24 21.421 2.080 0.726 0.431 0.913 0.565 CB 1.463 24 residues pruned to eliminate duplicates Z: 13 11.868 2.078 0.714 0.395 0.833 0.583 CB 1.289 16 residues pruned to eliminate duplicates Z: 29 20.104 2.047 0.804 0.331 0.964 0.536 CB 1.284 29 residues pruned to eliminate duplicates Z: 102 44.757 2.182 0.807 0.375 0.881 0.525 CB 1.465 102 residues pruned to eliminate duplicates Z: 19 23.806 2.148 0.729 0.500 0.944 0.611 CB 1.600 19 residues pruned to eliminate duplicates Z: 98 34.816 2.125 0.658 0.324 0.897 0.536 CB 1.357 98 residues pruned to eliminate duplicates Z: 48 28.478 2.042 0.812 0.360 0.894 0.553 CB 1.461 48 residues pruned to eliminate duplicates Z: 16 20.345 2.110 0.684 0.681 0.933 0.733 CB 1.341 16 residues pruned to eliminate duplicates Z: 6 3.807 2.022 0.137 0.359 0.800 0.600 CB 1.077 6 residues pruned to eliminate duplicates Z: 17 12.060 1.898 0.538 0.407 0.938 0.688 CB 1.214 17 residues pruned to eliminate duplicates Z: 18 11.935 1.741 0.938 0.378 0.824 0.588 CB 1.186 18 residues pruned to eliminate duplicates Z: 29 13.454 1.972 0.502 0.332 0.893 0.500 CB 1.155 29 residues pruned to eliminate duplicates Z: 46 30.854 2.159 0.837 0.416 0.933 0.578 CB 1.357 46 residues pruned to eliminate duplicates Z: 25 16.585 1.965 0.800 0.425 0.875 0.667 CB 1.182 25 residues pruned to eliminate duplicates Z: 30 18.780 2.029 0.828 0.425 0.828 0.655 CB 1.228 30 residues pruned to eliminate duplicates Z: 12 9.577 1.864 0.853 0.433 0.818 0.636 CB 1.095 12 residues pruned to eliminate duplicates Z: 46 28.202 2.198 0.845 0.395 0.889 0.556 CB 1.302 59 residues pruned to eliminate duplicates Z: 50 25.721 2.052 0.802 0.330 0.857 0.510 CB 1.397 50 residues pruned to eliminate duplicates Z: 26 27.850 2.145 0.799 0.483 0.960 0.560 CB 1.529 26 residues pruned to eliminate duplicates Z: 28 14.057 2.040 0.399 0.317 0.889 0.481 CB 1.305 28 residues pruned to eliminate duplicates Z: 23 14.262 2.052 0.410 0.385 0.818 0.364 CB 1.451 23 residues pruned to eliminate duplicates Z: 19 13.315 1.961 0.740 0.525 0.722 0.556 CB 1.242 19 residues pruned to eliminate duplicates Z: 21 21.093 2.030 0.723 0.481 0.950 0.700 CB 1.447 21 residues pruned to eliminate duplicates Z: 19 25.218 2.109 0.837 0.504 1.000 0.722 CB 1.527 19 residues pruned to eliminate duplicates Z: 12 19.065 2.119 0.592 0.614 1.000 0.818 CB 1.530 12 residues pruned to eliminate duplicates Z: 16 13.312 2.001 0.546 0.432 0.867 0.600 CA 1.376 16 residues pruned to eliminate duplicates Z: 33 20.505 2.163 0.627 0.310 0.844 0.500 CB 1.507 33 residues pruned to eliminate duplicates Z: 33 22.544 2.180 0.595 0.426 0.844 0.594 CB 1.467 33 residues pruned to eliminate duplicates Z: 6 6.784 1.477 0.342 0.814 1.000 0.800 CB 1.164 6 residues pruned to eliminate duplicates Z: 19 18.802 2.043 0.676 0.583 1.000 0.722 CB 1.195 21 residues pruned to eliminate duplicates Z: 39 24.819 2.076 0.907 0.289 0.921 0.579 CB 1.399 39 residues pruned to eliminate duplicates Z: 11 4.306 1.527 0.682 0.263 0.600 0.300 N 1.158 11 residues pruned to eliminate duplicates Z: 20 18.017 2.029 0.964 0.384 0.895 0.684 CB 1.311 20 residues pruned to eliminate duplicates Z: 24 20.137 2.036 0.858 0.424 0.913 0.652 CB 1.316 24 residues pruned to eliminate duplicates Z: 9 11.085 2.126 0.435 0.580 0.875 0.500 CA 1.359 9 residues pruned to eliminate duplicates Z: 14 8.459 1.878 0.427 0.424 0.692 0.615 CB 1.368 14 residues pruned to eliminate duplicates Z: 19 12.080 1.934 0.675 0.311 0.889 0.611 CB 1.219 7 residues pruned to eliminate duplicates Z: 7 11.641 1.848 1.043 0.651 0.833 0.833 CA 1.313 7 residues pruned to eliminate duplicates Z: 41 29.681 2.190 0.834 0.355 0.925 0.500 CB 1.476 41 residues pruned to eliminate duplicates Z: 7 3.040 1.461 0.634 0.328 0.833 0.333 CB 0.754 Z: 10 13.536 1.833 0.581 0.696 1.000 1.000 CB 1.301 10 residues pruned to eliminate duplicates Z: 9 6.800 1.708 0.382 0.427 0.875 0.625 CB 1.255 9 residues pruned to eliminate duplicates Z: 39 30.250 2.242 0.874 0.380 0.895 0.605 CB 1.483 39 residues pruned to eliminate duplicates Z: 21 24.017 2.222 0.989 0.356 1.000 0.750 CB 1.419 21 residues pruned to eliminate duplicates Z: 10 14.181 1.996 0.795 0.534 1.000 0.778 CB 1.276 10 residues pruned to eliminate duplicates Z: 24 18.498 2.010 0.781 0.438 0.870 0.565 CB 1.321 24 residues pruned to eliminate duplicates Z: 11 14.695 2.026 0.734 0.506 0.900 0.700 CB 1.461 11 residues pruned to eliminate duplicates Z: 39 23.194 1.996 0.791 0.377 0.921 0.632 CB 1.303 39 residues pruned to eliminate duplicates Z: 6 2.464 1.362 0.566 0.706 0.800 0.600 CB 0.535 Z: 7 9.941 1.941 0.378 0.679 1.000 1.000 CA 1.287 7 residues pruned to eliminate duplicates Z: 50 26.809 2.060 0.779 0.319 0.918 0.469 CB 1.390 50 residues pruned to eliminate duplicates Z: 30 33.309 2.175 0.898 0.439 0.966 0.552 CB 1.654 30 residues pruned to eliminate duplicates Z: 21 18.404 2.145 0.566 0.441 0.900 0.650 CB 1.446 21 residues pruned to eliminate duplicates Z: 19 21.054 2.076 0.868 0.567 0.944 0.722 CB 1.270 20 residues pruned to eliminate duplicates Z: 21 9.876 1.968 0.218 0.193 0.950 0.550 CB 1.400 21 residues pruned to eliminate duplicates Z: 36 20.325 2.056 0.553 0.375 0.914 0.571 CB 1.345 36 residues pruned to eliminate duplicates Z: 11 11.387 1.828 0.608 0.653 1.000 0.600 CB 1.063 11 residues pruned to eliminate duplicates Z: 37 23.138 2.135 0.790 0.353 0.889 0.500 CB 1.330 37 residues pruned to eliminate duplicates Z: 19 23.718 2.147 0.772 0.483 1.000 0.667 CB 1.494 19 residues pruned to eliminate duplicates Z: 25 13.402 1.882 0.585 0.494 0.875 0.583 CB 1.055 25 residues pruned to eliminate duplicates Z: 25 12.631 2.113 0.581 0.262 0.792 0.417 CB 1.280 25 residues pruned to eliminate duplicates Z: 25 16.553 2.055 0.319 0.422 0.958 0.667 CB 1.411 25 residues pruned to eliminate duplicates Z: 6 10.530 1.481 0.942 0.779 1.000 1.000 O 1.280 6 residues pruned to eliminate duplicates Z: 20 10.972 1.993 0.527 0.267 0.842 0.421 CB 1.280 20 residues pruned to eliminate duplicates Z: 23 16.025 2.025 0.661 0.358 0.864 0.636 CB 1.371 23 residues pruned to eliminate duplicates Z: 12 15.776 2.129 0.915 0.400 0.909 0.636 CB 1.425 13 residues pruned to eliminate duplicates Z: 7 11.345 2.057 0.693 0.483 1.000 0.667 CA 1.353 7 residues pruned to eliminate duplicates Z: 46 32.943 2.175 0.858 0.372 0.956 0.578 CB 1.459 46 residues pruned to eliminate duplicates Z: 8 7.148 1.701 0.198 0.554 1.000 0.571 C 1.257 7 residues pruned to eliminate duplicates Z: 37 23.024 2.115 0.661 0.326 0.889 0.556 CB 1.486 37 residues pruned to eliminate duplicates Z: 14 16.975 2.103 0.837 0.493 0.846 0.769 CB 1.451 6 residues pruned to eliminate duplicates Z: 17 10.071 1.804 0.529 0.391 0.812 0.500 CB 1.261 17 residues pruned to eliminate duplicates Z: 27 12.935 2.033 0.406 0.294 0.885 0.615 CB 1.262 27 residues pruned to eliminate duplicates Z: 9 24.731 2.155 0.865 0.854 1.000 0.750 CB 1.606 9 residues pruned to eliminate duplicates Z: 19 13.387 1.951 0.660 0.248 0.833 0.500 CB 1.563 19 residues pruned to eliminate duplicates Z: 16 10.777 1.907 0.591 0.392 0.867 0.533 CB 1.186 16 residues pruned to eliminate duplicates Z: 10 12.949 2.181 0.648 0.521 0.778 0.667 CB 1.513 10 residues pruned to eliminate duplicates Z: 9 9.072 1.931 0.741 0.521 0.875 0.750 CA 1.068 9 residues pruned to eliminate duplicates Z: 25 14.846 1.920 0.533 0.344 0.875 0.375 CB 1.395 25 residues pruned to eliminate duplicates Z: 16 9.212 1.863 0.383 0.243 1.000 0.667 CB 1.242 16 residues pruned to eliminate duplicates Z: 13 5.002 1.563 0.267 0.301 0.917 0.500 CB 0.994 13 residues pruned to eliminate duplicates Z: 9 4.329 1.714 0.433 0.624 0.875 0.750 CB 0.634 Z: 21 16.824 2.071 0.770 0.283 0.850 0.500 CB 1.541 21 residues pruned to eliminate duplicates Z: 28 13.213 1.985 0.601 0.325 0.815 0.481 CB 1.189 47 residues pruned to eliminate duplicates Z: 60 31.999 2.089 0.840 0.366 0.881 0.576 CB 1.420 60 residues pruned to eliminate duplicates Z: 21 15.012 2.007 0.553 0.359 0.950 0.600 CB 1.320 21 residues pruned to eliminate duplicates Z: 30 15.815 1.989 0.656 0.351 0.862 0.586 CB 1.215 30 residues pruned to eliminate duplicates Z: 21 17.842 2.124 0.740 0.351 0.850 0.600 CB 1.493 21 residues pruned to eliminate duplicates Z: 7 5.558 1.660 0.658 0.393 0.833 0.500 CB 1.108 7 residues pruned to eliminate duplicates Z: 33 19.827 2.039 0.571 0.369 0.875 0.625 CB 1.439 33 residues pruned to eliminate duplicates Z: 6 21.302 2.317 1.100 0.600 1.000 0.800 CA 1.779 6 residues pruned to eliminate duplicates Z: 11 14.061 2.230 0.753 0.370 0.900 0.600 CB 1.452 11 residues pruned to eliminate duplicates Z: 46 25.132 2.034 0.600 0.343 0.933 0.556 CB 1.463 46 residues pruned to eliminate duplicates Z: 48 25.406 2.051 0.638 0.388 0.915 0.574 CB 1.358 48 residues pruned to eliminate duplicates Z: 64 34.176 2.102 0.797 0.394 0.905 0.508 CB 1.409 64 residues pruned to eliminate duplicates Z: 8 2.558 1.449 0.000 0.340 0.857 0.286 CB 0.927 8 residues pruned to eliminate duplicates Z: 19 11.156 1.943 0.651 0.232 0.778 0.500 CB 1.439 19 residues pruned to eliminate duplicates 6 1.075 1.389 -0.033 0.297 0.600 0.400 N 0.749 ? Z: 70 28.297 2.080 0.688 0.410 0.855 0.565 CB 1.248 70 residues pruned to eliminate duplicates Z: 11 9.559 1.896 0.466 0.365 1.000 0.900 CB 1.257 11 residues pruned to eliminate duplicates Z: 31 19.649 2.102 0.708 0.358 0.833 0.500 CB 1.397 31 residues pruned to eliminate duplicates Z: 28 21.876 2.168 0.815 0.474 0.815 0.593 CB 1.348 28 residues pruned to eliminate duplicates 6 1.464 1.356 -0.126 0.297 0.800 0.400 CA 0.867 ? Z: 48 23.622 2.015 0.685 0.386 0.894 0.574 CB 1.281 48 residues pruned to eliminate duplicates Z: 23 24.933 2.082 0.817 0.465 1.000 0.591 CB 1.457 23 residues pruned to eliminate duplicates Z: 20 16.651 2.172 0.621 0.339 0.842 0.632 CB 1.536 20 residues pruned to eliminate duplicates Z: 6 8.505 1.589 0.561 0.823 1.000 1.000 C 1.159 6 residues pruned to eliminate duplicates Z: 6 2.002 1.252 0.302 0.296 0.800 0.400 CB 0.863 Z: 22 14.568 1.895 0.741 0.497 0.857 0.571 CB 1.128 22 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 31 35.573 2.147 0.933 0.491 0.967 0.600 CB 1.634 31 residues pruned to eliminate duplicates Z: 18 26.141 2.259 0.732 0.497 1.000 0.647 CB 1.624 18 residues pruned to eliminate duplicates Z: 35 26.520 2.038 0.761 0.416 0.912 0.676 CB 1.517 35 residues pruned to eliminate duplicates Z: 22 23.327 2.172 0.695 0.418 1.000 0.571 CB 1.507 22 residues pruned to eliminate duplicates Z: 23 20.784 2.114 0.676 0.379 0.955 0.545 CB 1.491 23 residues pruned to eliminate duplicates Z: 31 37.273 2.151 0.950 0.478 1.000 0.700 CB 1.658 31 residues pruned to eliminate duplicates Z: 24 18.200 2.037 0.738 0.378 0.913 0.652 CB 1.338 24 residues pruned to eliminate duplicates Z: 22 24.460 2.164 0.871 0.412 0.952 0.667 CB 1.518 22 residues pruned to eliminate duplicates Z: 22 23.294 2.037 0.883 0.424 0.952 0.714 CA 1.505 22 residues pruned to eliminate duplicates Z: 23 21.329 2.139 0.536 0.459 0.955 0.591 CB 1.511 23 residues pruned to eliminate duplicates Z: 19 26.333 2.194 0.847 0.470 1.000 0.778 CB 1.578 19 residues pruned to eliminate duplicates Z: 30 39.600 2.196 0.937 0.477 1.000 0.655 CB 1.769 30 residues pruned to eliminate duplicates Z: 30 35.130 2.185 0.839 0.484 0.966 0.690 CB 1.710 30 residues pruned to eliminate duplicates Z: 31 36.484 2.143 0.962 0.482 1.000 0.700 CB 1.613 31 residues pruned to eliminate duplicates Z: 29 35.149 2.225 0.924 0.452 1.000 0.571 CB 1.631 29 residues pruned to eliminate duplicates Z: 32 30.604 2.100 0.770 0.435 0.968 0.613 CB 1.635 32 residues pruned to eliminate duplicates Z: 55 36.801 2.152 0.856 0.428 0.870 0.611 CB 1.553 55 residues pruned to eliminate duplicates Z: 30 37.306 2.186 1.014 0.488 0.966 0.621 CB 1.649 30 residues pruned to eliminate duplicates Z: 39 36.690 2.130 0.985 0.468 0.947 0.737 CB 1.536 39 residues pruned to eliminate duplicates Z: 31 36.064 2.148 1.020 0.487 0.933 0.633 CB 1.647 31 residues pruned to eliminate duplicates Z: 32 35.000 2.137 0.974 0.447 0.968 0.581 CB 1.626 32 residues pruned to eliminate duplicates Z: 30 34.426 2.197 0.943 0.465 0.966 0.621 CB 1.606 30 residues pruned to eliminate duplicates Z: 15 17.775 1.874 0.908 0.483 0.857 0.571 C 1.577 15 residues pruned to eliminate duplicates Z: 14 14.432 1.921 0.807 0.487 0.769 0.462 CA 1.519 14 residues pruned to eliminate duplicates Z: 12 17.287 2.002 0.902 0.429 0.909 0.727 C 1.621 12 residues pruned to eliminate duplicates Z: 38 33.364 2.138 0.766 0.461 0.946 0.622 CB 1.599 37 residues pruned to eliminate duplicates Z: 6 11.944 1.938 0.787 0.497 1.000 0.600 CA 1.547 6 residues pruned to eliminate duplicates Z: 42 28.722 2.157 0.800 0.345 0.878 0.585 CB 1.558 56 residues pruned to eliminate duplicates Z: 61 30.950 2.115 0.717 0.347 0.883 0.533 CB 1.470 61 residues pruned to eliminate duplicates Z: 61 35.046 2.154 0.819 0.366 0.883 0.583 CB 1.510 61 residues pruned to eliminate duplicates Z: 40 26.102 2.083 0.838 0.344 0.897 0.462 CB 1.442 40 residues pruned to eliminate duplicates Z: 46 25.801 2.202 0.766 0.391 0.822 0.489 CB 1.350 46 residues pruned to eliminate duplicates Z: 30 16.928 2.149 0.578 0.277 0.828 0.517 CB 1.442 30 residues pruned to eliminate duplicates Z: 71 36.683 2.157 0.810 0.357 0.857 0.557 CB 1.529 71 residues pruned to eliminate duplicates Z: 37 24.822 2.159 0.764 0.319 0.861 0.528 CB 1.541 37 residues pruned to eliminate duplicates Z: 85 38.261 2.199 0.795 0.356 0.905 0.524 CB 1.367 85 residues pruned to eliminate duplicates Z: 28 16.675 2.061 0.685 0.315 0.852 0.481 CB 1.331 28 residues pruned to eliminate duplicates Z: 30 19.007 2.198 0.617 0.327 0.828 0.517 CB 1.451 30 residues pruned to eliminate duplicates Z: 63 31.916 2.213 0.723 0.326 0.871 0.532 CB 1.478 63 residues pruned to eliminate duplicates Z: 46 26.919 2.112 0.672 0.412 0.889 0.711 CB 1.402 46 residues pruned to eliminate duplicates Z: 69 29.990 2.174 0.671 0.310 0.882 0.529 CB 1.401 69 residues pruned to eliminate duplicates Z: 41 25.626 2.156 0.705 0.370 0.900 0.650 CB 1.407 41 residues pruned to eliminate duplicates Z: 39 16.676 2.067 0.640 0.242 0.868 0.342 CB 1.238 39 residues pruned to eliminate duplicates Z: 38 23.867 2.093 0.641 0.377 0.892 0.568 CB 1.461 38 residues pruned to eliminate duplicates Z: 70 36.862 2.155 0.780 0.341 0.913 0.623 CB 1.506 70 residues pruned to eliminate duplicates Z: 40 18.971 1.956 0.700 0.321 0.897 0.513 CB 1.239 40 residues pruned to eliminate duplicates Z: 27 20.984 2.237 0.704 0.370 0.808 0.577 CB 1.536 27 residues pruned to eliminate duplicates Z: 41 20.160 2.019 0.756 0.344 0.825 0.575 CB 1.292 41 residues pruned to eliminate duplicates Z: 22 18.972 2.206 0.631 0.350 0.857 0.619 CB 1.579 22 residues pruned to eliminate duplicates Z: 67 35.396 2.137 0.775 0.382 0.879 0.576 CB 1.482 67 residues pruned to eliminate duplicates Z: 36 21.952 2.148 0.651 0.363 0.829 0.514 CB 1.464 36 residues pruned to eliminate duplicates Z: 13 10.010 1.936 0.903 0.461 0.750 0.500 CA 1.089 Z: 8 12.178 1.571 1.034 0.568 1.000 0.714 N 1.348 12 residues pruned to eliminate duplicates Z: 6 7.336 1.977 0.754 0.474 0.800 0.600 CB 1.215 6 residues pruned to eliminate duplicates Z: 8 8.014 1.736 0.911 0.423 0.857 0.714 CB 1.155 7 residues pruned to eliminate duplicates Z: 6 6.481 1.814 0.280 0.473 1.000 0.800 CB 1.283 5 residues pruned to eliminate duplicates Z: 10 3.034 1.752 0.187 0.354 0.778 0.222 CB 0.732 Z: 6 3.865 1.697 0.355 0.171 0.800 0.600 CA 1.399 Z: 7 5.602 1.685 1.001 0.261 0.833 0.500 CB 1.070 Z: 6 4.054 1.798 0.207 0.376 0.800 0.400 CA 1.192 6 residues pruned to eliminate duplicates Z: 66 33.832 2.108 0.696 0.364 0.954 0.585 CB 1.425 66 residues pruned to eliminate duplicates Z: 52 27.760 2.122 0.673 0.342 0.902 0.451 CB 1.441 52 residues pruned to eliminate duplicates Z: 98 38.006 2.090 0.711 0.353 0.928 0.536 CB 1.363 109 residues pruned to eliminate duplicates Z: 85 39.336 2.150 0.797 0.345 0.905 0.583 CB 1.452 85 residues pruned to eliminate duplicates Z: 89 37.174 2.148 0.757 0.335 0.864 0.557 CB 1.457 89 residues pruned to eliminate duplicates Z: 55 35.280 2.201 0.816 0.390 0.926 0.556 CB 1.459 55 residues pruned to eliminate duplicates Z: 44 32.405 2.204 0.988 0.357 0.930 0.605 CB 1.415 44 residues pruned to eliminate duplicates Z: 46 32.326 2.174 0.853 0.349 0.933 0.511 CB 1.509 46 residues pruned to eliminate duplicates Z: 42 34.465 2.237 0.942 0.379 0.927 0.537 CB 1.521 42 residues pruned to eliminate duplicates Z: 40 23.078 2.146 0.732 0.329 0.846 0.436 CB 1.418 40 residues pruned to eliminate duplicates Z: 57 37.619 2.210 0.871 0.418 0.893 0.500 CB 1.483 57 residues pruned to eliminate duplicates Z: 64 36.291 2.205 0.831 0.377 0.921 0.587 CB 1.403 64 residues pruned to eliminate duplicates Z: 19 18.643 2.124 0.893 0.361 0.889 0.556 CB 1.427 19 residues pruned to eliminate duplicates Z: 48 32.776 2.163 0.811 0.373 0.936 0.596 CB 1.494 48 residues pruned to eliminate duplicates Z: 56 36.008 2.199 0.877 0.400 0.927 0.564 CB 1.410 56 residues pruned to eliminate duplicates Z: 50 33.907 2.178 0.872 0.392 0.878 0.490 CB 1.519 50 residues pruned to eliminate duplicates Z: 44 28.444 2.208 0.790 0.340 0.907 0.512 CB 1.440 44 residues pruned to eliminate duplicates Z: 43 31.785 2.221 0.952 0.354 0.905 0.500 CB 1.464 43 residues pruned to eliminate duplicates Z: 52 30.366 2.144 0.807 0.370 0.882 0.510 CB 1.429 52 residues pruned to eliminate duplicates Z: 41 25.295 2.153 0.754 0.314 0.875 0.450 CB 1.487 41 residues pruned to eliminate duplicates Z: 52 33.803 2.218 0.783 0.406 0.902 0.588 CB 1.464 52 residues pruned to eliminate duplicates Z: 79 37.555 2.134 0.776 0.332 0.910 0.564 CB 1.482 79 residues pruned to eliminate duplicates Z: 51 32.054 2.164 0.850 0.350 0.900 0.500 CB 1.482 51 residues pruned to eliminate duplicates Z: 73 29.966 2.077 0.674 0.353 0.903 0.542 CB 1.318 73 residues pruned to eliminate duplicates Z: 58 30.210 2.087 0.849 0.350 0.895 0.509 CB 1.363 58 residues pruned to eliminate duplicates Z: 14 19.992 2.120 0.976 0.472 0.923 0.385 CB 1.475 14 residues pruned to eliminate duplicates Z: 23 20.945 2.091 0.855 0.381 0.955 0.409 CB 1.369 23 residues pruned to eliminate duplicates Z: 33 15.271 1.830 0.716 0.368 0.875 0.469 CB 1.132 33 residues pruned to eliminate duplicates Z: 19 10.789 1.903 0.613 0.330 0.778 0.222 CA 1.283 19 residues pruned to eliminate duplicates Z: 50 30.573 2.156 0.855 0.346 0.878 0.469 CB 1.471 50 residues pruned to eliminate duplicates Z: 29 18.378 1.964 0.706 0.429 0.857 0.429 CB 1.302 29 residues pruned to eliminate duplicates Z: 90 37.958 2.121 0.703 0.375 0.899 0.539 CB 1.417 90 residues pruned to eliminate duplicates Z: 20 12.249 1.987 0.573 0.374 0.789 0.421 CB 1.303 20 residues pruned to eliminate duplicates Z: 28 15.025 1.898 0.436 0.388 0.926 0.370 CB 1.290 28 residues pruned to eliminate duplicates Z: 25 10.865 1.820 0.391 0.308 0.917 0.542 CB 1.182 25 residues pruned to eliminate duplicates Z: 24 12.127 1.940 0.403 0.338 0.957 0.522 CB 1.160 24 residues pruned to eliminate duplicates Z: 15 12.971 2.078 0.790 0.333 0.857 0.500 CB 1.305 15 residues pruned to eliminate duplicates Z: 22 14.112 2.005 0.679 0.286 1.000 0.333 CB 1.164 22 residues pruned to eliminate duplicates Z: 32 16.442 1.945 0.581 0.306 0.903 0.419 CB 1.320 32 residues pruned to eliminate duplicates Z: 39 17.960 1.976 0.574 0.362 0.895 0.474 CB 1.215 37 residues pruned to eliminate duplicates Z: 8 7.900 1.861 0.830 0.479 0.714 0.286 CA 1.254 8 residues pruned to eliminate duplicates Z: 58 26.933 2.115 0.709 0.316 0.860 0.526 CB 1.408 58 residues pruned to eliminate duplicates Z: 16 8.474 1.828 0.463 0.289 0.867 0.533 CB 1.197 16 residues pruned to eliminate duplicates Z: 25 9.994 1.858 0.459 0.312 0.792 0.500 CB 1.170 25 residues pruned to eliminate duplicates Z: 27 14.335 1.862 0.677 0.379 0.923 0.577 CB 1.109 27 residues pruned to eliminate duplicates Z: 18 9.348 1.876 0.655 0.355 0.824 0.412 CB 1.037 18 residues pruned to eliminate duplicates Z: 31 16.119 2.013 0.671 0.312 0.867 0.400 CB 1.243 31 residues pruned to eliminate duplicates Z: 26 15.521 2.018 0.577 0.370 0.920 0.520 CB 1.219 26 residues pruned to eliminate duplicates Z: 33 12.712 1.860 0.591 0.290 0.844 0.406 CB 1.139 33 residues pruned to eliminate duplicates Z: 24 15.884 1.994 0.559 0.361 0.957 0.522 CB 1.293 34 residues pruned to eliminate duplicates Z: 6 3.694 1.388 0.372 0.273 1.000 0.600 CA 1.123 6 residues pruned to eliminate duplicates Z: 33 18.546 1.994 0.691 0.392 0.875 0.469 CB 1.245 33 residues pruned to eliminate duplicates Z: 59 27.634 2.066 0.788 0.311 0.931 0.466 CB 1.301 59 residues pruned to eliminate duplicates Z: 9 22.684 2.130 0.770 0.859 1.000 0.750 CA 1.565 9 residues pruned to eliminate duplicates Z: 17 14.027 2.025 0.422 0.372 1.000 0.438 CB 1.398 13 residues pruned to eliminate duplicates Z: 6 5.510 1.401 1.003 0.348 1.000 0.800 CA 1.036 6 residues pruned to eliminate duplicates Z: 13 17.456 2.088 0.648 0.480 1.000 0.667 CB 1.494 13 residues pruned to eliminate duplicates Z: 16 17.441 2.041 0.778 0.395 1.000 0.600 CB 1.386 17 residues pruned to eliminate duplicates Z: 8 5.412 1.447 0.723 0.452 0.857 0.714 CB 1.005 8 residues pruned to eliminate duplicates Z: 35 15.359 1.932 0.645 0.343 0.794 0.412 CB 1.238 50 residues pruned to eliminate duplicates Z: 18 17.273 2.066 0.795 0.577 0.824 0.706 CB 1.274 18 residues pruned to eliminate duplicates Z: 39 26.296 1.967 0.848 0.460 0.974 0.526 CB 1.256 39 residues pruned to eliminate duplicates Z: 18 18.637 2.000 0.778 0.562 0.941 0.706 CB 1.271 18 residues pruned to eliminate duplicates Z: 21 18.261 1.959 0.806 0.521 0.900 0.500 CB 1.256 21 residues pruned to eliminate duplicates Z: 18 18.827 2.064 0.703 0.613 0.941 0.706 CB 1.240 18 residues pruned to eliminate duplicates Z: 6 6.161 1.690 0.819 0.291 1.000 0.600 CA 1.133 6 residues pruned to eliminate duplicates Z: 8 17.548 2.176 0.813 0.747 1.000 0.714 CB 1.348 8 residues pruned to eliminate duplicates Z: 7 4.071 1.705 0.533 0.400 0.667 0.667 CB 1.060 Z: 6 3.178 1.682 0.687 0.236 0.600 0.000 CB 1.134 6 residues pruned to eliminate duplicates Z: 11 15.328 2.221 1.107 0.378 0.800 0.500 CB 1.474 11 residues pruned to eliminate duplicates Z: 51 24.809 2.140 0.696 0.339 0.880 0.540 CB 1.308 51 residues pruned to eliminate duplicates Z: 52 25.301 2.135 0.619 0.353 0.882 0.569 CB 1.361 52 residues pruned to eliminate duplicates Z: 51 22.155 2.129 0.593 0.328 0.880 0.540 CB 1.268 51 residues pruned to eliminate duplicates Z: 23 23.294 2.289 0.822 0.436 0.864 0.591 CB 1.473 23 residues pruned to eliminate duplicates Z: 7 5.777 2.092 0.713 0.321 0.833 0.500 CB 0.962 7 residues pruned to eliminate duplicates Z: 23 22.252 2.277 0.898 0.421 0.864 0.636 CB 1.380 23 residues pruned to eliminate duplicates Z: 6 7.006 1.743 0.844 0.418 0.800 0.600 CA 1.326 6 residues pruned to eliminate duplicates Z: 37 19.418 2.099 0.720 0.310 0.861 0.444 CB 1.285 37 residues pruned to eliminate duplicates Z: 29 20.838 2.055 0.836 0.396 0.929 0.643 CB 1.254 29 residues pruned to eliminate duplicates Z: 15 15.277 2.005 0.773 0.407 0.929 0.500 CB 1.364 15 residues pruned to eliminate duplicates Z: 15 11.097 1.939 0.964 0.375 0.714 0.571 CB 1.246 15 residues pruned to eliminate duplicates Z: 40 23.415 2.093 0.685 0.404 0.897 0.564 CB 1.311 47 residues pruned to eliminate duplicates Z: 29 17.671 2.040 0.743 0.359 0.893 0.464 CB 1.224 29 residues pruned to eliminate duplicates Z: 20 14.798 1.983 0.919 0.448 0.737 0.474 CB 1.277 20 residues pruned to eliminate duplicates Z: 20 19.405 2.044 1.039 0.512 0.842 0.632 CB 1.253 20 residues pruned to eliminate duplicates Z: 40 18.447 2.009 0.522 0.316 0.872 0.564 CB 1.358 40 residues pruned to eliminate duplicates Z: 47 28.395 2.080 0.718 0.399 0.957 0.543 CB 1.363 47 residues pruned to eliminate duplicates Z: 48 20.174 2.030 0.594 0.359 0.787 0.596 CB 1.345 48 residues pruned to eliminate duplicates Z: 37 20.177 2.052 0.652 0.391 0.861 0.556 CB 1.293 37 residues pruned to eliminate duplicates Z: 47 18.840 2.040 0.485 0.326 0.870 0.565 CB 1.276 47 residues pruned to eliminate duplicates Z: 23 13.793 1.966 0.764 0.278 0.909 0.455 CB 1.199 23 residues pruned to eliminate duplicates Z: 28 15.594 2.050 0.502 0.313 0.926 0.630 CB 1.295 28 residues pruned to eliminate duplicates Z: 35 19.506 1.984 0.783 0.343 0.853 0.559 CB 1.316 35 residues pruned to eliminate duplicates Z: 35 17.036 2.072 0.476 0.349 0.853 0.647 CB 1.320 35 residues pruned to eliminate duplicates Z: 44 24.785 1.984 0.781 0.363 0.907 0.558 CB 1.366 44 residues pruned to eliminate duplicates Z: 48 23.432 2.074 0.559 0.390 0.894 0.617 CB 1.329 48 residues pruned to eliminate duplicates Z: 40 17.009 1.970 0.609 0.318 0.846 0.513 CB 1.241 40 residues pruned to eliminate duplicates Z: 29 17.048 2.056 0.442 0.335 0.857 0.643 CB 1.518 29 residues pruned to eliminate duplicates Z: 34 17.620 1.977 0.495 0.367 0.939 0.606 CB 1.274 34 residues pruned to eliminate duplicates Z: 22 13.632 2.036 0.584 0.304 0.952 0.429 CB 1.205 22 residues pruned to eliminate duplicates Z: 47 18.559 1.947 0.436 0.332 0.891 0.478 CB 1.320 47 residues pruned to eliminate duplicates Z: 36 16.674 2.055 0.458 0.322 0.857 0.600 CB 1.334 36 residues pruned to eliminate duplicates Z: 39 17.076 1.981 0.519 0.340 0.868 0.579 CB 1.261 39 residues pruned to eliminate duplicates Z: 30 14.397 1.907 0.541 0.315 0.862 0.586 CB 1.295 30 residues pruned to eliminate duplicates Z: 39 18.732 2.037 0.528 0.325 0.895 0.500 CB 1.324 39 residues pruned to eliminate duplicates Z: 36 16.048 1.986 0.487 0.324 0.829 0.543 CB 1.346 36 residues pruned to eliminate duplicates Z: 36 20.299 2.077 0.566 0.353 0.943 0.457 CB 1.312 36 residues pruned to eliminate duplicates Z: 20 10.711 2.070 0.346 0.232 0.895 0.579 CB 1.347 20 residues pruned to eliminate duplicates Z: 30 13.185 1.994 0.392 0.307 0.828 0.586 CB 1.320 30 residues pruned to eliminate duplicates Z: 37 16.181 2.026 0.490 0.326 0.833 0.528 CB 1.298 37 residues pruned to eliminate duplicates Z: 17 13.910 2.133 0.757 0.366 0.875 0.438 CB 1.224 17 residues pruned to eliminate duplicates Z: 47 23.498 2.039 0.752 0.351 0.826 0.478 CB 1.379 47 residues pruned to eliminate duplicates Z: 31 15.779 2.026 0.510 0.320 0.900 0.567 CB 1.276 31 residues pruned to eliminate duplicates Z: 29 18.211 2.052 0.691 0.300 0.929 0.500 CB 1.334 29 residues pruned to eliminate duplicates Z: 31 16.258 1.995 0.489 0.294 0.900 0.600 CB 1.398 31 residues pruned to eliminate duplicates Z: 40 19.300 2.034 0.631 0.332 0.872 0.615 CB 1.285 40 residues pruned to eliminate duplicates Z: 29 14.473 1.994 0.455 0.314 0.893 0.536 CB 1.297 29 residues pruned to eliminate duplicates Z: 34 13.241 1.987 0.371 0.329 0.818 0.515 CB 1.248 34 residues pruned to eliminate duplicates Z: 10 13.987 2.082 0.865 0.473 0.889 0.556 CA 1.387 10 residues pruned to eliminate duplicates Z: 35 21.117 2.073 0.647 0.343 0.941 0.500 CB 1.337 35 residues pruned to eliminate duplicates Z: 21 15.775 2.042 0.582 0.363 0.850 0.500 CB 1.488 21 residues pruned to eliminate duplicates Z: 34 18.725 2.037 0.525 0.329 0.879 0.636 CB 1.441 34 residues pruned to eliminate duplicates Z: 11 7.379 1.901 0.351 0.304 0.800 0.600 CB 1.412 11 residues pruned to eliminate duplicates Z: 13 13.582 2.011 0.831 0.478 0.833 0.500 CB 1.307 13 residues pruned to eliminate duplicates Z: 12 21.384 2.168 0.816 0.611 1.000 0.545 CB 1.473 12 residues pruned to eliminate duplicates Z: 6 3.455 1.616 0.531 0.337 0.800 0.600 CA 0.933 6 residues pruned to eliminate duplicates Z: 10 8.102 1.891 0.767 0.442 0.667 0.556 CB 1.287 10 residues pruned to eliminate duplicates 218 residues left after pruning, divided into chains as follows: A: 123 B: 19 C: 76 CC for partial structure against native data = 34.32 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.389, Connect. = 0.726 for dens.mod. cycle 1 = 0.300, Contrast = 0.452, Connect. = 0.752 for dens.mod. cycle 2 = 0.300, Contrast = 0.536, Connect. = 0.782 for dens.mod. cycle 3 = 0.300, Contrast = 0.544, Connect. = 0.784 for dens.mod. cycle 4 = 0.300, Contrast = 0.555, Connect. = 0.787 for dens.mod. cycle 5 = 0.300, Contrast = 0.563, Connect. = 0.789 for dens.mod. cycle 6 = 0.300, Contrast = 0.570, Connect. = 0.792 for dens.mod. cycle 7 = 0.300, Contrast = 0.575, Connect. = 0.793 for dens.mod. cycle 8 = 0.300, Contrast = 0.580, Connect. = 0.794 for dens.mod. cycle 9 = 0.300, Contrast = 0.584, Connect. = 0.795 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2019 peaks > 0.5 sigma used to seed fragment search Space for about 314 unique residues taking solvent into account 383 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 37 23.754 2.168 0.768 0.370 0.833 0.583 CB 1.424 B: 31 31.218 2.163 0.695 0.483 1.000 0.567 CB 1.582 C: 31 27.974 2.193 0.804 0.439 0.900 0.533 CB 1.528 31 residues pruned to eliminate duplicates D: 32 33.617 2.172 0.843 0.425 0.968 0.613 CB 1.684 31 residues pruned to eliminate duplicates E: 43 26.686 2.174 0.721 0.352 0.929 0.500 CB 1.392 F: 8 11.356 2.048 0.734 0.465 0.857 0.714 CB 1.462 G: 43 31.527 2.224 0.777 0.378 0.976 0.643 CB 1.437 15 residues pruned to eliminate duplicates H: 26 12.293 1.847 0.618 0.310 0.840 0.520 CB 1.209 17 residues pruned to eliminate duplicates I: 44 20.396 2.047 0.519 0.338 0.907 0.488 CB 1.315 8 residues pruned to eliminate duplicates J: 20 16.448 2.017 0.788 0.510 0.842 0.684 CB 1.231 K: 9 6.550 1.982 0.569 0.505 0.625 0.625 CA 1.186 9 residues pruned to eliminate duplicates L: 22 22.264 2.253 0.993 0.447 0.762 0.571 CB 1.499 23 residues pruned to eliminate duplicates M: 62 37.895 2.191 0.757 0.385 0.918 0.557 CB 1.552 71 residues pruned to eliminate duplicates N: 12 6.159 1.901 0.594 0.236 0.636 0.364 CB 1.309 12 residues pruned to eliminate duplicates O: 31 34.137 2.174 0.865 0.463 0.967 0.633 CB 1.650 33 residues pruned to eliminate duplicates P: 6 7.149 1.661 0.143 0.787 1.000 0.600 CB 1.309 6 residues pruned to eliminate duplicates Q: 25 20.068 2.068 0.690 0.411 0.917 0.583 CB 1.403 25 residues pruned to eliminate duplicates R: 26 18.569 2.009 0.708 0.392 0.880 0.480 CB 1.379 19 residues pruned to eliminate duplicates S: 9 14.125 1.870 0.917 0.586 0.875 0.500 CB 1.465 T: 124 47.482 2.177 0.656 0.356 0.911 0.569 CB 1.524 109 residues pruned to eliminate duplicates 8 1.998 1.635 0.247 0.350 0.714 0.571 CB 0.610 ? U: 66 36.794 2.169 0.652 0.404 0.923 0.585 CB 1.526 66 residues pruned to eliminate duplicates V: 29 35.546 2.287 0.908 0.472 0.929 0.607 CB 1.706 29 residues pruned to eliminate duplicates W: 26 12.205 1.866 0.549 0.353 0.800 0.520 CB 1.238 26 residues pruned to eliminate duplicates X: 6 16.366 2.294 0.758 0.820 1.000 0.800 CA 1.375 6 residues pruned to eliminate duplicates Y: 25 21.172 2.220 0.630 0.320 0.917 0.500 CB 1.588 25 residues pruned to eliminate duplicates Z: 34 26.534 2.248 0.765 0.393 0.848 0.515 CB 1.536 34 residues pruned to eliminate duplicates Z: 9 9.274 1.948 0.629 0.284 1.000 0.375 CB 1.317 9 residues pruned to eliminate duplicates Z: 10 12.260 2.128 0.679 0.432 0.778 0.556 CB 1.577 10 residues pruned to eliminate duplicates Z: 21 13.434 1.961 0.573 0.406 0.900 0.550 CB 1.194 21 residues pruned to eliminate duplicates Z: 30 21.309 2.111 0.660 0.389 0.897 0.448 CB 1.417 31 residues pruned to eliminate duplicates Z: 16 19.963 2.128 1.004 0.436 0.800 0.533 CA 1.615 16 residues pruned to eliminate duplicates Z: 21 11.110 1.910 0.437 0.293 0.900 0.600 CB 1.267 21 residues pruned to eliminate duplicates Z: 20 27.296 2.110 0.775 0.647 1.000 0.737 CB 1.457 20 residues pruned to eliminate duplicates Z: 13 10.428 1.905 0.852 0.371 0.750 0.667 CB 1.306 13 residues pruned to eliminate duplicates Z: 8 18.579 2.121 0.699 0.749 1.000 0.714 CA 1.560 Z: 36 22.917 2.142 0.606 0.415 0.829 0.629 CB 1.485 36 residues pruned to eliminate duplicates Z: 23 20.751 2.105 0.769 0.410 0.864 0.545 CB 1.512 23 residues pruned to eliminate duplicates Z: 8 13.455 2.149 0.570 0.755 1.000 0.857 CB 1.202 8 residues pruned to eliminate duplicates Z: 42 30.729 2.259 0.654 0.359 0.951 0.537 CB 1.571 42 residues pruned to eliminate duplicates Z: 12 11.379 2.218 0.307 0.451 0.909 0.545 CB 1.368 12 residues pruned to eliminate duplicates Z: 32 15.340 1.991 0.596 0.342 0.806 0.387 CB 1.276 32 residues pruned to eliminate duplicates Z: 8 18.931 2.016 1.088 0.600 1.000 0.714 CB 1.544 8 residues pruned to eliminate duplicates Z: 10 9.847 1.833 0.568 0.438 0.778 0.556 CB 1.565 10 residues pruned to eliminate duplicates Z: 7 13.611 2.120 1.005 0.614 0.833 0.667 CB 1.409 7 residues pruned to eliminate duplicates Z: 9 6.015 1.685 0.905 0.429 0.875 0.375 CB 0.815 Z: 17 11.136 1.883 0.508 0.400 0.812 0.438 CB 1.340 17 residues pruned to eliminate duplicates Z: 11 16.438 1.926 0.726 0.585 1.000 0.600 CB 1.442 11 residues pruned to eliminate duplicates Z: 8 5.944 2.066 0.408 0.565 0.714 0.714 CB 1.016 8 residues pruned to eliminate duplicates Z: 20 23.561 2.322 0.859 0.509 0.842 0.632 CB 1.474 20 residues pruned to eliminate duplicates Z: 9 7.808 1.927 0.459 0.430 1.000 0.375 CB 1.056 9 residues pruned to eliminate duplicates Z: 9 8.232 1.974 0.588 0.428 0.750 0.500 CB 1.334 9 residues pruned to eliminate duplicates Z: 10 13.697 1.927 0.886 0.530 0.889 0.778 CB 1.372 10 residues pruned to eliminate duplicates Z: 7 9.002 2.074 0.727 0.383 0.833 0.500 CB 1.395 7 residues pruned to eliminate duplicates Z: 19 17.990 1.991 0.791 0.525 0.833 0.611 CB 1.392 19 residues pruned to eliminate duplicates Z: 22 16.446 1.959 0.673 0.538 0.905 0.619 CB 1.166 22 residues pruned to eliminate duplicates Z: 61 37.309 2.151 0.854 0.367 0.917 0.550 CB 1.518 61 residues pruned to eliminate duplicates Z: 12 13.129 2.046 0.833 0.391 0.909 0.545 CB 1.304 12 residues pruned to eliminate duplicates Z: 15 15.274 2.010 0.599 0.577 0.857 0.786 CB 1.376 15 residues pruned to eliminate duplicates Z: 12 8.815 1.735 0.492 0.335 0.818 0.636 C 1.503 12 residues pruned to eliminate duplicates Z: 62 26.349 2.074 0.624 0.322 0.836 0.557 CB 1.458 62 residues pruned to eliminate duplicates Z: 21 19.220 2.148 0.906 0.402 0.800 0.500 CB 1.455 21 residues pruned to eliminate duplicates Z: 42 33.591 2.170 0.862 0.390 0.951 0.634 CB 1.534 42 residues pruned to eliminate duplicates Z: 35 17.892 1.993 0.492 0.333 0.912 0.559 CB 1.358 35 residues pruned to eliminate duplicates Z: 30 31.278 2.168 0.799 0.483 0.931 0.621 CB 1.627 30 residues pruned to eliminate duplicates Z: 15 12.730 2.057 0.518 0.305 0.857 0.571 CB 1.579 15 residues pruned to eliminate duplicates Z: 15 16.582 1.869 0.884 0.511 0.857 0.500 C 1.452 15 residues pruned to eliminate duplicates Z: 13 9.083 1.969 0.479 0.370 0.750 0.333 CB 1.380 13 residues pruned to eliminate duplicates Z: 121 46.921 2.155 0.741 0.389 0.892 0.567 CB 1.440 106 residues pruned to eliminate duplicates Z: 18 17.647 2.101 0.601 0.563 0.882 0.706 CB 1.357 18 residues pruned to eliminate duplicates Z: 16 17.605 2.363 0.653 0.397 0.867 0.600 CA 1.497 16 residues pruned to eliminate duplicates Z: 25 11.093 1.906 0.620 0.253 0.792 0.500 CB 1.229 25 residues pruned to eliminate duplicates Z: 8 7.129 1.595 0.506 0.575 0.857 0.714 CA 1.218 Z: 7 6.630 2.103 0.401 0.554 0.833 0.667 CB 1.046 7 residues pruned to eliminate duplicates Z: 16 17.445 2.125 0.539 0.561 0.933 0.667 CB 1.390 16 residues pruned to eliminate duplicates Z: 29 19.162 2.120 0.719 0.444 0.714 0.500 CB 1.474 29 residues pruned to eliminate duplicates Z: 35 19.164 2.038 0.520 0.333 0.912 0.588 CB 1.397 56 residues pruned to eliminate duplicates Z: 31 33.807 2.193 0.772 0.481 0.967 0.600 CB 1.674 31 residues pruned to eliminate duplicates Z: 10 14.953 1.981 0.515 0.704 1.000 0.889 CB 1.379 10 residues pruned to eliminate duplicates Z: 7 12.543 1.897 1.057 0.568 0.833 0.333 N 1.474 7 residues pruned to eliminate duplicates Z: 66 35.422 2.218 0.797 0.348 0.846 0.615 CB 1.536 66 residues pruned to eliminate duplicates Z: 15 5.235 1.643 0.264 0.206 0.786 0.357 CB 1.215 10 residues pruned to eliminate duplicates Z: 107 44.442 2.183 0.747 0.380 0.896 0.575 CB 1.435 107 residues pruned to eliminate duplicates Z: 41 20.807 2.092 0.694 0.339 0.750 0.500 CB 1.475 41 residues pruned to eliminate duplicates Z: 28 12.516 2.003 0.352 0.326 0.852 0.481 CB 1.264 28 residues pruned to eliminate duplicates Z: 56 25.521 2.103 0.737 0.346 0.800 0.527 CB 1.393 67 residues pruned to eliminate duplicates Z: 100 43.230 2.145 0.749 0.380 0.909 0.556 CB 1.447 100 residues pruned to eliminate duplicates Z: 25 15.507 1.891 0.637 0.372 0.958 0.583 CB 1.223 34 residues pruned to eliminate duplicates Z: 8 19.868 2.094 0.709 0.842 1.000 0.857 CA 1.564 8 residues pruned to eliminate duplicates Z: 12 9.284 1.876 0.480 0.325 0.909 0.545 CB 1.343 12 residues pruned to eliminate duplicates Z: 27 20.325 2.175 0.647 0.359 0.846 0.538 CB 1.530 27 residues pruned to eliminate duplicates Z: 8 9.780 2.158 0.316 0.594 0.857 0.857 CB 1.388 8 residues pruned to eliminate duplicates Z: 44 19.387 1.944 0.546 0.330 0.837 0.558 CB 1.415 44 residues pruned to eliminate duplicates Z: 22 22.885 2.209 0.807 0.372 0.952 0.619 CB 1.507 22 residues pruned to eliminate duplicates Z: 52 28.788 2.087 0.923 0.394 0.804 0.510 CB 1.397 52 residues pruned to eliminate duplicates Z: 21 18.509 2.030 0.645 0.597 0.900 0.750 CB 1.255 Z: 67 35.879 2.175 0.794 0.379 0.864 0.576 CB 1.490 67 residues pruned to eliminate duplicates Z: 21 18.231 2.109 0.650 0.443 0.900 0.550 CB 1.380 21 residues pruned to eliminate duplicates Z: 10 14.866 1.999 0.843 0.482 1.000 0.556 CB 1.369 10 residues pruned to eliminate duplicates Z: 19 19.622 2.136 0.679 0.598 0.889 0.722 CB 1.320 20 residues pruned to eliminate duplicates Z: 8 7.801 1.739 0.640 0.489 1.000 0.714 CA 1.046 7 residues pruned to eliminate duplicates Z: 32 35.593 2.170 0.953 0.460 0.935 0.516 CB 1.679 31 residues pruned to eliminate duplicates Z: 38 25.721 2.101 0.745 0.378 0.892 0.622 CB 1.472 38 residues pruned to eliminate duplicates Z: 30 37.475 2.205 0.978 0.498 0.931 0.621 CB 1.719 31 residues pruned to eliminate duplicates Z: 10 8.291 2.307 0.268 0.405 0.778 0.333 CB 1.342 10 residues pruned to eliminate duplicates Z: 29 21.130 2.167 0.596 0.277 0.929 0.429 CA 1.601 29 residues pruned to eliminate duplicates Z: 20 19.294 2.106 0.575 0.398 0.895 0.579 CB 1.661 20 residues pruned to eliminate duplicates Z: 28 23.501 2.265 0.641 0.361 0.889 0.519 CB 1.591 28 residues pruned to eliminate duplicates Z: 37 18.971 2.014 0.628 0.342 0.889 0.556 CB 1.288 37 residues pruned to eliminate duplicates Z: 6 3.394 1.679 0.655 0.482 0.600 0.400 CB 0.927 6 residues pruned to eliminate duplicates Z: 32 20.189 2.011 0.587 0.394 0.839 0.452 CB 1.514 32 residues pruned to eliminate duplicates Z: 7 9.422 1.481 0.691 0.709 1.000 0.667 N 1.271 7 residues pruned to eliminate duplicates Z: 13 12.447 1.955 0.793 0.522 0.833 0.667 CB 1.203 12 residues pruned to eliminate duplicates Z: 12 9.953 1.708 0.566 0.492 1.000 0.545 CB 1.130 9 residues pruned to eliminate duplicates Z: 39 21.432 2.016 0.675 0.384 0.921 0.632 CB 1.266 39 residues pruned to eliminate duplicates Z: 10 4.376 1.618 0.613 0.371 0.667 0.444 CB 0.962 10 residues pruned to eliminate duplicates Z: 7 3.691 1.857 0.109 0.437 0.833 0.500 CB 0.937 Z: 7 7.307 1.568 0.396 0.728 1.000 0.833 CB 1.109 7 residues pruned to eliminate duplicates Z: 19 21.729 2.172 0.546 0.505 0.944 0.722 CB 1.607 19 residues pruned to eliminate duplicates Z: 45 24.073 2.124 0.684 0.360 0.864 0.545 CB 1.366 45 residues pruned to eliminate duplicates Z: 21 24.018 2.203 0.618 0.443 1.000 0.550 CB 1.598 21 residues pruned to eliminate duplicates Z: 27 14.773 1.914 0.655 0.318 0.923 0.500 CB 1.211 27 residues pruned to eliminate duplicates Z: 42 28.901 2.181 0.746 0.335 0.927 0.488 CB 1.532 42 residues pruned to eliminate duplicates Z: 8 16.545 1.989 1.060 0.699 0.857 0.714 CB 1.485 8 residues pruned to eliminate duplicates Z: 12 15.981 1.907 0.746 0.533 1.000 0.636 CA 1.400 12 residues pruned to eliminate duplicates Z: 13 10.392 1.942 0.686 0.413 0.917 0.417 CB 1.095 13 residues pruned to eliminate duplicates Z: 32 25.120 2.237 0.610 0.377 0.903 0.581 CB 1.582 32 residues pruned to eliminate duplicates Z: 23 25.428 2.184 1.059 0.537 0.818 0.636 CB 1.421 23 residues pruned to eliminate duplicates Z: 64 30.785 2.086 0.675 0.414 0.873 0.603 CB 1.392 64 residues pruned to eliminate duplicates Z: 71 38.640 2.098 0.722 0.382 0.943 0.543 CB 1.537 75 residues pruned to eliminate duplicates Z: 10 8.867 1.798 0.699 0.610 0.778 0.667 CB 1.121 10 residues pruned to eliminate duplicates Z: 6 2.001 1.361 0.103 0.317 0.800 0.600 C 0.912 Z: 7 18.180 2.011 0.886 0.810 1.000 0.833 CA 1.494 7 residues pruned to eliminate duplicates Z: 22 12.228 1.954 0.456 0.338 0.810 0.571 CB 1.384 22 residues pruned to eliminate duplicates Z: 35 21.827 2.122 0.506 0.406 0.941 0.618 CB 1.373 35 residues pruned to eliminate duplicates Z: 27 33.284 2.229 0.827 0.515 0.923 0.654 CB 1.711 27 residues pruned to eliminate duplicates Z: 31 15.078 1.997 0.361 0.334 0.867 0.633 CB 1.400 31 residues pruned to eliminate duplicates Z: 8 14.057 2.053 0.832 0.608 1.000 0.714 CB 1.275 8 residues pruned to eliminate duplicates Z: 9 7.669 1.608 0.953 0.468 0.750 0.375 CB 1.190 17 residues pruned to eliminate duplicates Z: 10 13.226 1.852 0.815 0.664 0.889 0.556 CA 1.268 10 residues pruned to eliminate duplicates Z: 7 10.089 1.772 0.902 0.576 0.833 0.833 C 1.364 7 residues pruned to eliminate duplicates Z: 19 21.636 2.162 0.541 0.494 0.944 0.778 CB 1.629 19 residues pruned to eliminate duplicates Z: 20 20.215 2.082 0.782 0.561 0.947 0.684 CB 1.244 21 residues pruned to eliminate duplicates Z: 116 43.837 2.138 0.610 0.400 0.930 0.565 CB 1.418 116 residues pruned to eliminate duplicates Z: 10 10.383 1.730 0.724 0.457 0.889 0.667 CB 1.364 10 residues pruned to eliminate duplicates Z: 7 2.289 1.677 0.280 0.533 0.333 0.333 CB 1.264 7 residues pruned to eliminate duplicates Z: 13 11.538 2.032 0.479 0.327 0.917 0.417 CA 1.461 13 residues pruned to eliminate duplicates Z: 11 11.461 1.896 1.091 0.471 0.700 0.500 CB 1.345 11 residues pruned to eliminate duplicates Z: 35 21.282 2.090 0.634 0.391 0.824 0.559 CB 1.456 35 residues pruned to eliminate duplicates Z: 8 15.336 2.169 0.603 0.782 1.000 1.000 CB 1.300 8 residues pruned to eliminate duplicates Z: 19 21.355 2.182 0.614 0.443 0.944 0.556 CA 1.604 19 residues pruned to eliminate duplicates Z: 28 25.514 2.112 0.700 0.459 0.963 0.519 CB 1.482 28 residues pruned to eliminate duplicates Z: 8 12.310 2.029 0.779 0.613 1.000 0.571 CB 1.158 8 residues pruned to eliminate duplicates Z: 9 10.782 1.715 0.985 0.662 1.000 0.750 CB 0.964 9 residues pruned to eliminate duplicates Z: 32 22.454 2.138 0.579 0.350 0.935 0.581 CB 1.503 32 residues pruned to eliminate duplicates Z: 19 18.247 2.091 0.569 0.371 0.944 0.611 CA 1.593 19 residues pruned to eliminate duplicates Z: 8 19.626 2.143 0.871 0.720 1.000 1.000 CA 1.517 8 residues pruned to eliminate duplicates Z: 7 4.168 1.993 0.037 0.454 0.667 0.500 CB 1.295 7 residues pruned to eliminate duplicates Z: 30 22.882 2.233 0.631 0.340 0.862 0.552 CA 1.611 30 residues pruned to eliminate duplicates Z: 35 20.329 2.111 0.450 0.380 0.941 0.559 CB 1.375 35 residues pruned to eliminate duplicates Z: 26 13.260 1.985 0.573 0.244 0.840 0.440 CB 1.359 26 residues pruned to eliminate duplicates Z: 10 13.685 1.906 0.653 0.666 1.000 0.889 CB 1.242 10 residues pruned to eliminate duplicates Z: 34 25.006 2.165 0.576 0.439 0.848 0.636 CA 1.602 34 residues pruned to eliminate duplicates Z: 21 12.103 2.016 0.640 0.376 0.750 0.650 CB 1.246 21 residues pruned to eliminate duplicates Z: 21 10.296 1.972 0.403 0.261 0.850 0.550 CB 1.287 21 residues pruned to eliminate duplicates Z: 21 15.471 1.944 0.788 0.488 0.800 0.550 CB 1.260 21 residues pruned to eliminate duplicates Z: 8 8.103 1.870 0.304 0.612 0.857 0.714 CB 1.317 8 residues pruned to eliminate duplicates Z: 13 7.200 1.557 0.374 0.573 0.917 0.667 CB 0.987 Z: 8 7.064 1.699 0.340 0.477 0.857 0.714 CB 1.401 7 residues pruned to eliminate duplicates Z: 51 36.283 2.215 0.801 0.413 0.920 0.580 CB 1.531 51 residues pruned to eliminate duplicates Z: 21 18.664 2.009 0.696 0.575 0.900 0.650 CB 1.265 21 residues pruned to eliminate duplicates Z: 18 9.292 1.896 0.181 0.331 0.941 0.471 CB 1.287 18 residues pruned to eliminate duplicates Z: 11 9.232 1.840 0.469 0.359 0.900 0.700 CA 1.397 11 residues pruned to eliminate duplicates Z: 7 15.021 2.102 0.609 0.622 1.000 0.833 CB 1.615 7 residues pruned to eliminate duplicates Z: 7 2.843 1.269 0.295 0.488 0.667 0.500 N 1.072 Z: 16 11.622 1.786 0.775 0.455 0.933 0.600 CB 1.062 16 residues pruned to eliminate duplicates Z: 38 16.406 1.984 0.601 0.335 0.865 0.541 CB 1.176 38 residues pruned to eliminate duplicates Z: 71 33.640 2.126 0.734 0.359 0.886 0.543 CB 1.433 71 residues pruned to eliminate duplicates Z: 19 13.977 2.008 0.721 0.442 0.778 0.611 CB 1.300 19 residues pruned to eliminate duplicates Z: 13 8.200 1.841 0.665 0.300 0.750 0.417 CA 1.288 13 residues pruned to eliminate duplicates Z: 53 32.477 2.128 0.698 0.358 0.904 0.519 CB 1.606 53 residues pruned to eliminate duplicates Z: 13 9.422 1.939 0.457 0.566 0.833 0.500 CB 1.084 13 residues pruned to eliminate duplicates Z: 7 4.261 1.636 0.458 0.238 0.833 0.667 CA 1.186 7 residues pruned to eliminate duplicates Z: 20 15.473 2.067 0.417 0.439 0.895 0.579 CB 1.442 20 residues pruned to eliminate duplicates Z: 30 34.957 2.202 0.777 0.502 0.931 0.586 CA 1.779 30 residues pruned to eliminate duplicates Z: 6 9.069 1.542 0.617 0.695 1.000 0.800 O 1.362 6 residues pruned to eliminate duplicates Z: 12 11.411 1.934 0.550 0.530 0.818 0.818 CB 1.363 12 residues pruned to eliminate duplicates Z: 10 4.028 1.649 0.750 0.312 0.778 0.444 CB 0.736 10 residues pruned to eliminate duplicates Z: 24 16.580 2.052 0.553 0.395 0.870 0.522 CB 1.394 24 residues pruned to eliminate duplicates Z: 11 19.202 1.941 0.849 0.665 0.900 0.700 CA 1.614 Z: 12 10.298 1.854 0.770 0.515 0.818 0.636 CB 1.140 12 residues pruned to eliminate duplicates Z: 24 24.529 2.111 0.737 0.439 0.957 0.609 CB 1.553 24 residues pruned to eliminate duplicates Z: 35 17.536 2.005 0.542 0.343 0.912 0.647 CB 1.265 35 residues pruned to eliminate duplicates Z: 24 22.743 2.129 0.740 0.391 0.957 0.652 CB 1.502 24 residues pruned to eliminate duplicates Z: 15 17.175 2.200 0.696 0.459 0.857 0.714 CB 1.498 15 residues pruned to eliminate duplicates Z: 11 8.266 1.814 0.524 0.604 0.900 0.900 CB 0.951 11 residues pruned to eliminate duplicates Z: 48 21.150 2.017 0.595 0.390 0.851 0.596 CB 1.266 48 residues pruned to eliminate duplicates Z: 7 10.211 1.995 0.529 0.631 1.000 0.833 CA 1.208 7 residues pruned to eliminate duplicates Z: 31 31.787 2.150 0.887 0.431 0.933 0.600 CB 1.646 31 residues pruned to eliminate duplicates Z: 23 16.232 1.919 0.761 0.407 0.818 0.636 CB 1.380 23 residues pruned to eliminate duplicates Z: 15 17.455 1.925 1.016 0.462 0.857 0.643 C 1.459 26 residues pruned to eliminate duplicates Z: 81 37.012 2.096 0.725 0.378 0.900 0.613 CB 1.447 72 residues pruned to eliminate duplicates Z: 21 19.799 2.114 0.775 0.460 0.850 0.600 CA 1.445 21 residues pruned to eliminate duplicates Z: 31 20.622 2.031 0.507 0.416 0.967 0.500 CB 1.389 32 residues pruned to eliminate duplicates Z: 49 30.986 2.196 0.630 0.365 0.875 0.500 CA 1.651 49 residues pruned to eliminate duplicates Z: 9 3.783 1.497 0.257 0.360 0.875 0.625 CB 0.946 Z: 6 2.267 1.544 -0.188 0.294 1.000 0.800 CA 1.019 Z: 8 8.762 2.036 0.321 0.388 1.000 0.714 CB 1.387 8 residues pruned to eliminate duplicates Z: 7 2.159 1.346 0.210 0.466 1.000 0.667 CB 0.560 Z: 8 9.965 1.813 1.081 0.678 0.857 0.857 CA 0.988 8 residues pruned to eliminate duplicates Z: 15 20.178 2.112 0.684 0.644 0.929 0.643 CB 1.427 15 residues pruned to eliminate duplicates 6 1.404 1.612 -0.024 0.297 0.600 0.600 CB 0.835 ? Z: 10 5.541 1.741 0.546 0.480 1.000 0.556 CB 0.700 10 residues pruned to eliminate duplicates Z: 15 16.193 2.098 0.783 0.282 0.929 0.500 CB 1.594 15 residues pruned to eliminate duplicates Z: 19 11.376 1.893 0.563 0.381 0.889 0.444 CB 1.157 19 residues pruned to eliminate duplicates 6 1.478 1.249 0.084 0.454 1.000 0.800 CB 0.512 ? Z: 14 10.704 1.787 0.801 0.400 0.923 0.615 CB 1.110 14 residues pruned to eliminate duplicates Z: 14 5.061 1.689 0.211 0.304 0.846 0.692 CB 1.008 14 residues pruned to eliminate duplicates Z: 14 12.475 1.835 0.477 0.357 1.000 0.538 CB 1.490 14 residues pruned to eliminate duplicates Z: 10 14.845 2.224 0.603 0.397 0.889 0.778 CB 1.741 10 residues pruned to eliminate duplicates Z: 8 2.256 1.469 0.075 0.296 0.857 0.429 CB 0.791 6 residues pruned to eliminate duplicates Z: 34 23.255 2.158 0.575 0.399 0.879 0.636 CB 1.507 34 residues pruned to eliminate duplicates Z: 10 8.377 1.649 0.471 0.530 1.000 0.556 CB 1.118 10 residues pruned to eliminate duplicates Z: 8 2.885 1.726 0.436 0.674 0.857 0.714 CB 0.437 8 residues pruned to eliminate duplicates Z: 19 12.233 1.913 0.693 0.379 0.889 0.500 CB 1.140 19 residues pruned to eliminate duplicates Z: 9 6.525 1.492 0.900 0.398 0.875 0.625 C 1.035 Z: 69 29.908 2.085 0.621 0.330 0.926 0.485 CB 1.397 69 residues pruned to eliminate duplicates Z: 17 11.736 2.012 0.669 0.313 0.812 0.500 CB 1.322 17 residues pruned to eliminate duplicates Z: 32 25.395 2.181 0.605 0.315 0.935 0.581 CA 1.708 32 residues pruned to eliminate duplicates Z: 40 31.799 2.183 0.862 0.377 0.923 0.564 CB 1.548 40 residues pruned to eliminate duplicates Z: 15 14.857 2.097 0.733 0.438 0.857 0.571 CB 1.359 15 residues pruned to eliminate duplicates Z: 6 7.439 1.500 0.702 0.704 1.000 0.600 CA 1.082 6 residues pruned to eliminate duplicates Z: 34 21.085 2.016 0.766 0.382 0.848 0.606 CB 1.378 34 residues pruned to eliminate duplicates Z: 16 16.339 1.989 0.676 0.431 0.933 0.600 CB 1.457 16 residues pruned to eliminate duplicates Z: 38 29.363 2.164 0.855 0.408 0.892 0.541 CB 1.484 38 residues pruned to eliminate duplicates Z: 85 40.576 2.199 0.711 0.361 0.905 0.536 CB 1.511 85 residues pruned to eliminate duplicates Z: 9 4.784 1.814 0.411 0.425 0.750 0.500 CB 0.952 9 residues pruned to eliminate duplicates Z: 6 7.702 1.614 0.768 0.821 0.800 0.600 CB 1.143 6 residues pruned to eliminate duplicates Z: 36 27.947 2.232 0.750 0.340 0.914 0.600 CB 1.575 36 residues pruned to eliminate duplicates Z: 6 2.552 1.488 0.824 0.641 0.800 0.600 N 0.461 Z: 21 22.144 2.195 0.594 0.445 0.950 0.550 CB 1.577 21 residues pruned to eliminate duplicates Z: 7 3.921 1.644 0.406 0.401 0.833 0.833 CB 0.922 7 residues pruned to eliminate duplicates Z: 27 19.170 2.158 0.604 0.345 0.923 0.577 CB 1.393 27 residues pruned to eliminate duplicates Z: 16 12.313 1.928 0.519 0.447 0.867 0.667 CB 1.322 16 residues pruned to eliminate duplicates Z: 12 12.936 2.016 0.594 0.495 1.000 0.727 CB 1.219 12 residues pruned to eliminate duplicates Z: 11 15.052 1.997 0.797 0.420 0.900 0.400 CA 1.602 11 residues pruned to eliminate duplicates Z: 7 4.745 1.318 0.454 0.706 0.833 0.500 N 1.006 7 residues pruned to eliminate duplicates Z: 14 6.588 1.943 0.266 0.305 0.692 0.462 CB 1.332 14 residues pruned to eliminate duplicates Z: 30 25.540 2.115 0.888 0.319 0.931 0.552 CA 1.559 30 residues pruned to eliminate duplicates Z: 15 5.274 1.793 0.348 0.266 0.714 0.286 CB 1.067 15 residues pruned to eliminate duplicates Z: 10 10.583 1.981 0.532 0.346 0.889 0.667 CA 1.546 10 residues pruned to eliminate duplicates Z: 13 8.201 1.781 0.522 0.492 0.750 0.667 CA 1.174 13 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 25 21.683 2.060 0.682 0.421 0.958 0.583 CB 1.447 25 residues pruned to eliminate duplicates Z: 7 3.774 1.636 0.762 0.240 0.667 0.333 CB 1.084 7 residues pruned to eliminate duplicates Z: 37 35.715 2.183 0.883 0.489 0.889 0.667 CB 1.647 37 residues pruned to eliminate duplicates Z: 7 5.698 1.552 0.730 0.351 0.833 0.500 CA 1.221 7 residues pruned to eliminate duplicates Z: 19 25.645 2.209 0.758 0.466 1.000 0.556 CB 1.612 19 residues pruned to eliminate duplicates Z: 23 22.772 2.132 0.675 0.436 0.955 0.591 CB 1.523 23 residues pruned to eliminate duplicates Z: 37 35.831 2.180 0.875 0.483 0.889 0.639 CB 1.673 38 residues pruned to eliminate duplicates Z: 6 4.141 2.120 0.220 0.184 0.800 0.200 CA 1.309 6 residues pruned to eliminate duplicates Z: 23 23.614 2.146 0.645 0.425 1.000 0.591 CB 1.542 23 residues pruned to eliminate duplicates Z: 32 26.193 2.099 0.839 0.385 0.839 0.516 CB 1.641 32 residues pruned to eliminate duplicates Z: 32 34.814 2.174 0.893 0.434 0.968 0.613 CB 1.681 32 residues pruned to eliminate duplicates Z: 22 21.098 2.202 0.647 0.378 0.905 0.619 CB 1.598 22 residues pruned to eliminate duplicates Z: 31 31.026 2.183 0.792 0.424 0.967 0.600 CB 1.622 31 residues pruned to eliminate duplicates Z: 23 24.494 2.181 0.650 0.460 0.955 0.636 CA 1.584 23 residues pruned to eliminate duplicates Z: 31 33.368 2.218 0.786 0.433 0.933 0.600 CA 1.766 31 residues pruned to eliminate duplicates Z: 37 39.754 2.196 0.969 0.485 0.944 0.611 CB 1.646 37 residues pruned to eliminate duplicates Z: 30 34.632 2.261 0.866 0.469 0.931 0.552 CB 1.690 30 residues pruned to eliminate duplicates Z: 33 29.912 2.155 0.888 0.428 0.844 0.562 CB 1.660 33 residues pruned to eliminate duplicates Z: 31 37.342 2.202 0.949 0.487 0.933 0.600 CB 1.723 31 residues pruned to eliminate duplicates Z: 37 37.024 2.186 0.918 0.494 0.917 0.694 CB 1.615 37 residues pruned to eliminate duplicates Z: 34 32.942 2.106 0.905 0.405 0.939 0.545 CA 1.680 34 residues pruned to eliminate duplicates Z: 31 35.898 2.172 0.877 0.479 0.967 0.600 CB 1.698 31 residues pruned to eliminate duplicates Z: 6 7.077 1.733 0.581 0.404 1.000 0.800 N 1.279 6 residues pruned to eliminate duplicates Z: 30 34.634 2.241 0.812 0.462 1.000 0.655 CB 1.646 30 residues pruned to eliminate duplicates Z: 13 21.335 2.100 0.965 0.467 0.917 0.417 C 1.684 13 residues pruned to eliminate duplicates Z: 16 21.651 2.064 0.933 0.433 0.933 0.533 CA 1.610 16 residues pruned to eliminate duplicates Z: 36 39.245 2.232 0.963 0.498 0.914 0.657 CB 1.660 36 residues pruned to eliminate duplicates Z: 6 5.888 1.721 0.723 0.276 0.800 0.600 CA 1.431 6 residues pruned to eliminate duplicates Z: 19 25.390 2.168 0.818 0.536 0.889 0.611 CB 1.649 19 residues pruned to eliminate duplicates Z: 30 25.998 2.183 0.692 0.403 0.897 0.621 CA 1.615 30 residues pruned to eliminate duplicates Z: 38 25.264 2.110 0.595 0.346 0.946 0.595 CB 1.542 38 residues pruned to eliminate duplicates Z: 70 35.614 2.234 0.689 0.321 0.884 0.507 CB 1.565 70 residues pruned to eliminate duplicates Z: 98 35.094 2.141 0.606 0.305 0.876 0.485 CB 1.469 98 residues pruned to eliminate duplicates Z: 30 19.449 2.227 0.522 0.280 0.897 0.517 CB 1.524 30 residues pruned to eliminate duplicates Z: 29 24.238 2.218 0.675 0.376 0.893 0.607 CB 1.576 29 residues pruned to eliminate duplicates Z: 42 24.449 2.105 0.716 0.364 0.829 0.634 CB 1.476 42 residues pruned to eliminate duplicates Z: 30 19.997 2.185 0.522 0.341 0.862 0.517 CB 1.540 30 residues pruned to eliminate duplicates Z: 59 35.870 2.194 0.700 0.395 0.914 0.552 CB 1.544 59 residues pruned to eliminate duplicates Z: 19 13.451 1.934 0.394 0.437 0.889 0.556 CB 1.412 19 residues pruned to eliminate duplicates Z: 60 33.376 2.267 0.663 0.324 0.881 0.525 CB 1.586 60 residues pruned to eliminate duplicates Z: 19 17.582 2.070 0.856 0.359 0.833 0.722 CA 1.506 19 residues pruned to eliminate duplicates Z: 28 21.328 2.215 0.664 0.350 0.852 0.630 CB 1.538 28 residues pruned to eliminate duplicates Z: 31 20.595 2.238 0.638 0.295 0.833 0.533 CB 1.548 31 residues pruned to eliminate duplicates Z: 31 20.994 2.200 0.566 0.308 0.900 0.500 CB 1.531 31 residues pruned to eliminate duplicates Z: 69 35.345 2.196 0.690 0.345 0.912 0.485 CB 1.499 69 residues pruned to eliminate duplicates Z: 55 37.270 2.202 0.811 0.379 0.907 0.556 CB 1.594 55 residues pruned to eliminate duplicates Z: 30 22.488 2.240 0.684 0.322 0.862 0.552 CB 1.562 30 residues pruned to eliminate duplicates Z: 31 22.902 2.231 0.715 0.360 0.800 0.500 CB 1.588 31 residues pruned to eliminate duplicates Z: 27 22.985 2.165 0.673 0.359 0.923 0.654 CB 1.569 27 residues pruned to eliminate duplicates Z: 31 19.905 2.170 0.455 0.345 0.933 0.467 CB 1.459 31 residues pruned to eliminate duplicates Z: 28 23.385 2.264 0.577 0.351 0.889 0.519 CB 1.668 28 residues pruned to eliminate duplicates Z: 42 23.292 2.080 0.640 0.409 0.854 0.585 CB 1.374 42 residues pruned to eliminate duplicates Z: 30 23.888 2.248 0.644 0.333 0.897 0.621 CB 1.607 30 residues pruned to eliminate duplicates Z: 26 21.602 2.207 0.570 0.353 0.960 0.560 CB 1.524 26 residues pruned to eliminate duplicates Z: 29 22.278 2.155 0.772 0.302 0.929 0.607 CB 1.480 29 residues pruned to eliminate duplicates Z: 85 42.143 2.239 0.718 0.354 0.893 0.571 CB 1.566 85 residues pruned to eliminate duplicates Z: 64 28.152 2.112 0.592 0.323 0.889 0.540 CB 1.442 64 residues pruned to eliminate duplicates Z: 63 38.517 2.206 0.809 0.347 0.935 0.548 CB 1.547 64 residues pruned to eliminate duplicates Z: 7 6.218 1.740 0.449 0.412 0.833 0.500 CB 1.325 7 residues pruned to eliminate duplicates Z: 59 37.404 2.203 0.826 0.368 0.931 0.569 CB 1.511 59 residues pruned to eliminate duplicates Z: 40 32.082 2.265 0.773 0.367 0.949 0.641 CB 1.556 40 residues pruned to eliminate duplicates Z: 24 20.865 2.246 0.665 0.348 0.913 0.565 CB 1.502 24 residues pruned to eliminate duplicates Z: 69 33.597 2.120 0.646 0.351 0.956 0.529 CB 1.435 69 residues pruned to eliminate duplicates Z: 69 37.253 2.177 0.767 0.382 0.897 0.500 CB 1.485 69 residues pruned to eliminate duplicates Z: 7 5.131 1.530 0.568 0.472 1.000 1.000 C 0.898 7 residues pruned to eliminate duplicates Z: 59 36.399 2.211 0.745 0.388 0.897 0.569 CB 1.557 59 residues pruned to eliminate duplicates Z: 33 27.959 2.217 0.812 0.295 0.938 0.625 CA 1.651 33 residues pruned to eliminate duplicates Z: 45 35.812 2.268 0.721 0.384 0.955 0.568 CB 1.638 45 residues pruned to eliminate duplicates Z: 50 35.649 2.227 0.877 0.330 0.898 0.510 CB 1.634 50 residues pruned to eliminate duplicates Z: 68 27.553 2.110 0.534 0.344 0.881 0.507 CB 1.400 68 residues pruned to eliminate duplicates Z: 34 25.743 2.100 0.763 0.292 0.939 0.455 CB 1.627 34 residues pruned to eliminate duplicates Z: 59 32.422 2.159 0.757 0.354 0.897 0.534 CB 1.464 59 residues pruned to eliminate duplicates Z: 40 29.888 2.228 0.850 0.336 0.923 0.538 CB 1.505 40 residues pruned to eliminate duplicates Z: 53 32.738 2.182 0.732 0.350 0.865 0.462 CB 1.634 53 residues pruned to eliminate duplicates Z: 68 38.260 2.188 0.711 0.379 0.940 0.537 CB 1.511 68 residues pruned to eliminate duplicates Z: 58 28.942 2.170 0.635 0.376 0.842 0.491 CB 1.465 58 residues pruned to eliminate duplicates Z: 55 33.049 2.201 0.712 0.372 0.926 0.593 CB 1.478 55 residues pruned to eliminate duplicates Z: 45 31.316 2.137 0.796 0.416 0.909 0.545 CB 1.477 45 residues pruned to eliminate duplicates Z: 66 35.187 2.145 0.689 0.349 0.938 0.569 CB 1.511 66 residues pruned to eliminate duplicates Z: 30 29.786 2.262 0.837 0.322 0.931 0.483 CA 1.740 30 residues pruned to eliminate duplicates Z: 49 31.037 2.185 0.666 0.367 0.917 0.500 CB 1.549 49 residues pruned to eliminate duplicates Z: 105 44.984 2.153 0.732 0.396 0.913 0.577 CB 1.446 105 residues pruned to eliminate duplicates Z: 31 28.215 2.245 0.786 0.339 0.900 0.567 CB 1.702 31 residues pruned to eliminate duplicates Z: 56 32.711 2.107 0.628 0.360 0.945 0.491 CB 1.582 56 residues pruned to eliminate duplicates Z: 8 5.596 1.605 0.911 0.405 0.857 0.571 CA 0.889 8 residues pruned to eliminate duplicates Z: 58 29.956 2.123 0.755 0.379 0.895 0.596 CB 1.355 58 residues pruned to eliminate duplicates Z: 56 33.882 2.194 0.745 0.354 0.927 0.636 CB 1.508 56 residues pruned to eliminate duplicates Z: 15 24.880 2.345 0.835 0.468 1.000 0.714 CA 1.596 15 residues pruned to eliminate duplicates Z: 64 36.109 2.197 0.685 0.361 0.937 0.524 CB 1.525 64 residues pruned to eliminate duplicates Z: 68 37.721 2.172 0.721 0.382 0.940 0.567 CB 1.486 68 residues pruned to eliminate duplicates Z: 70 36.390 2.175 0.744 0.359 0.913 0.522 CB 1.473 70 residues pruned to eliminate duplicates Z: 33 20.612 2.039 0.639 0.381 0.906 0.406 CB 1.364 33 residues pruned to eliminate duplicates Z: 14 17.285 1.923 1.084 0.488 0.923 0.385 CB 1.311 14 residues pruned to eliminate duplicates Z: 43 33.428 2.185 0.814 0.367 0.929 0.500 CB 1.615 43 residues pruned to eliminate duplicates Z: 26 14.558 1.912 0.499 0.355 0.880 0.480 CB 1.350 26 residues pruned to eliminate duplicates Z: 27 17.459 1.961 0.563 0.387 0.923 0.385 CB 1.364 26 residues pruned to eliminate duplicates Z: 6 4.657 1.496 0.936 0.257 1.000 0.400 CB 0.949 6 residues pruned to eliminate duplicates Z: 26 17.324 2.022 0.578 0.348 0.920 0.480 CB 1.392 26 residues pruned to eliminate duplicates Z: 7 8.910 2.085 0.845 0.365 0.833 0.333 CB 1.311 7 residues pruned to eliminate duplicates Z: 118 45.419 2.137 0.765 0.367 0.932 0.538 CB 1.379 118 residues pruned to eliminate duplicates Z: 38 23.945 2.101 0.668 0.412 0.865 0.459 CB 1.423 40 residues pruned to eliminate duplicates Z: 9 12.123 1.778 0.851 0.521 0.875 0.375 CA 1.458 9 residues pruned to eliminate duplicates Z: 60 31.875 2.147 0.676 0.335 0.915 0.508 CB 1.509 60 residues pruned to eliminate duplicates Z: 26 18.725 2.022 0.706 0.367 0.920 0.520 CB 1.361 24 residues pruned to eliminate duplicates Z: 7 5.353 1.524 1.133 0.436 0.833 0.833 CA 0.862 7 residues pruned to eliminate duplicates Z: 22 18.867 2.059 0.776 0.549 0.857 0.714 CB 1.252 22 residues pruned to eliminate duplicates Z: 22 21.513 2.043 0.829 0.602 0.905 0.619 CB 1.260 22 residues pruned to eliminate duplicates Z: 6 3.479 1.768 0.615 0.289 0.800 0.600 CB 0.863 6 residues pruned to eliminate duplicates Z: 25 19.611 1.917 0.703 0.529 0.875 0.583 CB 1.362 25 residues pruned to eliminate duplicates Z: 19 17.285 2.004 0.834 0.578 0.778 0.611 CB 1.322 19 residues pruned to eliminate duplicates Z: 21 20.314 2.049 0.735 0.574 0.850 0.700 CB 1.399 21 residues pruned to eliminate duplicates Z: 20 19.332 2.090 0.837 0.575 0.842 0.632 CB 1.276 20 residues pruned to eliminate duplicates Z: 18 23.072 2.088 0.776 0.625 0.941 0.647 CB 1.425 18 residues pruned to eliminate duplicates Z: 19 19.237 2.020 0.685 0.583 0.944 0.667 CB 1.302 19 residues pruned to eliminate duplicates Z: 18 16.928 2.135 0.608 0.541 0.824 0.706 CB 1.396 18 residues pruned to eliminate duplicates Z: 6 6.484 1.769 0.727 0.379 0.800 0.400 C 1.350 6 residues pruned to eliminate duplicates Z: 23 19.017 2.022 0.711 0.564 0.909 0.591 CB 1.211 23 residues pruned to eliminate duplicates Z: 11 9.804 1.968 0.653 0.548 0.900 0.500 CB 1.011 11 residues pruned to eliminate duplicates Z: 36 27.815 2.230 0.696 0.401 0.886 0.629 CB 1.558 36 residues pruned to eliminate duplicates Z: 6 7.354 1.737 0.920 0.429 0.800 0.400 CA 1.327 6 residues pruned to eliminate duplicates Z: 35 26.015 2.232 0.834 0.360 0.853 0.647 CB 1.487 35 residues pruned to eliminate duplicates Z: 20 14.438 2.128 0.688 0.267 0.789 0.368 CB 1.522 12 residues pruned to eliminate duplicates Z: 6 5.353 2.147 0.836 0.397 0.800 0.400 CB 0.846 6 residues pruned to eliminate duplicates Z: 36 26.796 2.199 0.760 0.400 0.857 0.657 CB 1.518 36 residues pruned to eliminate duplicates Z: 26 21.316 2.148 0.606 0.394 0.880 0.640 CB 1.570 26 residues pruned to eliminate duplicates Z: 36 20.888 2.212 0.607 0.363 0.800 0.514 CB 1.438 36 residues pruned to eliminate duplicates Z: 35 26.936 2.237 0.746 0.394 0.882 0.618 CB 1.499 35 residues pruned to eliminate duplicates Z: 35 27.896 2.214 0.773 0.420 0.882 0.529 CB 1.502 35 residues pruned to eliminate duplicates Z: 23 20.658 2.164 0.904 0.392 0.773 0.591 CB 1.551 23 residues pruned to eliminate duplicates Z: 20 20.698 2.188 0.762 0.405 0.895 0.684 CB 1.521 20 residues pruned to eliminate duplicates Z: 45 26.979 2.155 0.769 0.368 0.864 0.568 CB 1.423 45 residues pruned to eliminate duplicates Z: 37 19.961 2.051 0.663 0.368 0.861 0.639 CB 1.305 37 residues pruned to eliminate duplicates Z: 28 16.364 2.046 0.587 0.356 0.852 0.667 CB 1.330 28 residues pruned to eliminate duplicates Z: 28 16.524 1.962 0.559 0.372 0.889 0.593 CB 1.341 28 residues pruned to eliminate duplicates Z: 12 13.528 2.043 0.768 0.375 0.909 0.545 CB 1.420 12 residues pruned to eliminate duplicates Z: 17 10.593 1.970 0.779 0.426 0.688 0.500 CB 1.187 17 residues pruned to eliminate duplicates Z: 12 11.591 1.973 0.886 0.355 0.818 0.636 CB 1.342 12 residues pruned to eliminate duplicates Z: 17 9.887 1.881 0.588 0.363 0.750 0.438 CB 1.279 17 residues pruned to eliminate duplicates Z: 17 18.595 2.026 0.859 0.470 0.938 0.562 CB 1.357 17 residues pruned to eliminate duplicates Z: 13 10.297 1.820 0.811 0.301 0.917 0.500 CB 1.228 13 residues pruned to eliminate duplicates Z: 52 26.174 2.087 0.875 0.368 0.863 0.569 CB 1.251 52 residues pruned to eliminate duplicates Z: 12 10.699 1.912 1.227 0.266 0.727 0.455 CB 1.360 12 residues pruned to eliminate duplicates Z: 33 14.753 1.888 0.662 0.319 0.844 0.500 CB 1.202 33 residues pruned to eliminate duplicates Z: 49 25.040 2.079 0.654 0.392 0.896 0.521 CB 1.315 49 residues pruned to eliminate duplicates Z: 41 23.643 2.037 0.694 0.380 0.900 0.575 CB 1.368 41 residues pruned to eliminate duplicates Z: 40 18.553 2.033 0.548 0.342 0.846 0.538 CB 1.325 40 residues pruned to eliminate duplicates Z: 40 22.764 2.064 0.712 0.377 0.872 0.564 CB 1.348 40 residues pruned to eliminate duplicates Z: 33 16.698 2.007 0.647 0.359 0.812 0.594 CB 1.279 33 residues pruned to eliminate duplicates Z: 22 12.530 2.050 0.613 0.267 0.857 0.571 CB 1.258 22 residues pruned to eliminate duplicates Z: 48 26.999 2.100 0.647 0.414 0.915 0.574 CB 1.361 48 residues pruned to eliminate duplicates Z: 51 25.034 2.056 0.680 0.401 0.860 0.600 CB 1.323 51 residues pruned to eliminate duplicates Z: 37 18.184 2.053 0.446 0.368 0.889 0.500 CB 1.324 37 residues pruned to eliminate duplicates Z: 35 19.465 1.997 0.743 0.379 0.912 0.500 CB 1.197 35 residues pruned to eliminate duplicates Z: 27 14.796 2.102 0.507 0.301 0.885 0.538 CB 1.293 27 residues pruned to eliminate duplicates Z: 29 13.228 2.042 0.376 0.310 0.821 0.500 CB 1.337 29 residues pruned to eliminate duplicates Z: 21 11.378 2.074 0.366 0.225 0.800 0.550 CB 1.549 21 residues pruned to eliminate duplicates Z: 33 14.191 1.950 0.489 0.296 0.875 0.438 CB 1.241 33 residues pruned to eliminate duplicates Z: 35 16.525 2.094 0.328 0.370 0.912 0.676 CB 1.286 35 residues pruned to eliminate duplicates Z: 21 10.926 2.039 0.254 0.249 0.900 0.550 CB 1.418 21 residues pruned to eliminate duplicates Z: 27 15.929 2.106 0.467 0.294 0.962 0.500 CB 1.324 27 residues pruned to eliminate duplicates Z: 32 16.912 2.000 0.384 0.277 0.968 0.516 CA 1.460 32 residues pruned to eliminate duplicates Z: 25 15.626 2.031 0.486 0.247 0.958 0.500 CB 1.477 25 residues pruned to eliminate duplicates Z: 29 16.987 2.027 0.365 0.311 0.964 0.607 CB 1.482 29 residues pruned to eliminate duplicates Z: 49 24.612 2.063 0.708 0.371 0.833 0.521 CB 1.388 49 residues pruned to eliminate duplicates Z: 30 12.303 1.997 0.359 0.293 0.862 0.414 CB 1.231 30 residues pruned to eliminate duplicates Z: 32 15.325 2.020 0.439 0.294 0.935 0.484 CB 1.275 32 residues pruned to eliminate duplicates Z: 30 14.660 2.062 0.380 0.322 0.828 0.655 CB 1.407 30 residues pruned to eliminate duplicates Z: 35 17.353 2.061 0.535 0.352 0.824 0.441 CB 1.341 35 residues pruned to eliminate duplicates Z: 36 18.670 2.087 0.522 0.353 0.857 0.571 CB 1.358 36 residues pruned to eliminate duplicates Z: 30 16.131 2.051 0.446 0.350 0.862 0.621 CB 1.378 30 residues pruned to eliminate duplicates Z: 37 18.027 2.047 0.448 0.357 0.889 0.611 CB 1.329 37 residues pruned to eliminate duplicates Z: 43 19.312 2.041 0.487 0.323 0.833 0.524 CB 1.431 43 residues pruned to eliminate duplicates Z: 7 4.844 1.477 0.198 0.667 0.833 0.667 C 1.150 7 residues pruned to eliminate duplicates Z: 50 22.288 1.995 0.669 0.344 0.837 0.551 CB 1.355 50 residues pruned to eliminate duplicates Z: 37 21.388 2.113 0.574 0.359 0.861 0.583 CB 1.448 37 residues pruned to eliminate duplicates Z: 6 5.881 1.938 0.479 0.243 0.800 0.600 CA 1.544 6 residues pruned to eliminate duplicates Z: 37 17.804 2.040 0.535 0.313 0.861 0.556 CB 1.352 37 residues pruned to eliminate duplicates Z: 36 15.272 1.976 0.462 0.301 0.857 0.486 CB 1.303 36 residues pruned to eliminate duplicates Z: 14 15.275 2.066 0.669 0.501 0.923 0.692 CB 1.330 14 residues pruned to eliminate duplicates Z: 44 22.105 2.091 0.546 0.374 0.907 0.512 CB 1.315 44 residues pruned to eliminate duplicates Z: 6 4.061 1.510 0.625 0.457 0.800 0.800 C 0.966 6 residues pruned to eliminate duplicates 260 residues left after pruning, divided into chains as follows: A: 12 B: 6 C: 145 D: 20 E: 77 CC for partial structure against native data = 39.02 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.382, Connect. = 0.734 for dens.mod. cycle 1 = 0.300, Contrast = 0.443, Connect. = 0.757 for dens.mod. cycle 2 = 0.300, Contrast = 0.532, Connect. = 0.785 for dens.mod. cycle 3 = 0.300, Contrast = 0.541, Connect. = 0.787 for dens.mod. cycle 4 = 0.300, Contrast = 0.553, Connect. = 0.790 for dens.mod. cycle 5 = 0.300, Contrast = 0.560, Connect. = 0.791 for dens.mod. cycle 6 = 0.300, Contrast = 0.568, Connect. = 0.793 for dens.mod. cycle 7 = 0.300, Contrast = 0.573, Connect. = 0.794 for dens.mod. cycle 8 = 0.300, Contrast = 0.579, Connect. = 0.795 for dens.mod. cycle 9 = 0.300, Contrast = 0.582, Connect. = 0.796 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2018 peaks > 0.5 sigma used to seed fragment search Space for about 314 unique residues taking solvent into account 386 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 32 31.098 2.151 0.872 0.445 0.935 0.581 CB 1.568 B: 13 18.063 2.146 0.699 0.482 0.917 0.500 CA 1.589 C: 30 32.616 2.147 0.852 0.482 0.931 0.586 CB 1.666 31 residues pruned to eliminate duplicates D: 24 15.167 1.996 0.529 0.366 0.913 0.565 CB 1.310 E: 28 17.447 2.095 0.357 0.314 1.000 0.593 CB 1.451 F: 14 16.183 1.961 0.831 0.475 1.000 0.385 CA 1.282 7 residues pruned to eliminate duplicates G: 20 13.023 1.892 0.519 0.366 0.947 0.526 CB 1.268 13 residues pruned to eliminate duplicates H: 13 15.283 2.040 0.858 0.504 0.917 0.583 CB 1.264 I: 12 16.790 2.006 0.929 0.475 0.818 0.636 C 1.639 12 residues pruned to eliminate duplicates J: 36 14.825 1.911 0.605 0.276 0.886 0.514 CB 1.190 K: 8 10.158 1.912 0.870 0.452 0.857 0.571 CA 1.316 L: 15 15.364 1.947 0.662 0.421 1.000 0.643 CB 1.378 15 residues pruned to eliminate duplicates M: 9 14.958 2.087 0.587 0.693 1.000 0.750 CB 1.338 N: 7 24.156 2.281 0.828 0.893 1.000 1.000 CB 1.698 9 residues pruned to eliminate duplicates O: 8 8.660 2.088 0.468 0.497 0.857 0.714 CB 1.249 8 residues pruned to eliminate duplicates P: 41 31.522 2.218 0.863 0.365 0.975 0.600 CB 1.430 Q: 22 12.595 1.948 0.569 0.416 0.762 0.524 CB 1.289 22 residues pruned to eliminate duplicates R: 12 19.749 2.044 0.984 0.620 0.909 0.818 CB 1.442 13 residues pruned to eliminate duplicates S: 10 8.037 1.714 0.622 0.443 0.889 0.444 CB 1.150 T: 12 13.402 1.809 0.688 0.395 1.000 0.455 N 1.478 12 residues pruned to eliminate duplicates U: 23 20.467 2.058 0.529 0.430 1.000 0.545 CB 1.491 23 residues pruned to eliminate duplicates V: 9 13.314 2.012 0.770 0.578 0.875 0.500 CB 1.401 10 residues pruned to eliminate duplicates W: 36 31.248 2.097 0.773 0.493 0.943 0.600 CB 1.518 30 residues pruned to eliminate duplicates X: 17 9.737 1.812 0.643 0.335 0.875 0.438 CB 1.120 17 residues pruned to eliminate duplicates Y: 9 18.787 2.216 0.945 0.607 1.000 0.750 CB 1.392 9 residues pruned to eliminate duplicates Z: 21 15.913 1.977 0.735 0.521 0.850 0.700 CB 1.195 15 residues pruned to eliminate duplicates Z: 49 27.034 2.045 0.711 0.394 0.875 0.708 CB 1.425 56 residues pruned to eliminate duplicates Z: 9 9.089 1.915 0.811 0.594 0.875 0.750 CA 0.968 9 residues pruned to eliminate duplicates Z: 19 17.106 2.056 0.609 0.562 0.889 0.611 CB 1.291 19 residues pruned to eliminate duplicates Z: 23 22.294 2.084 0.642 0.436 1.000 0.500 CB 1.485 23 residues pruned to eliminate duplicates Z: 13 18.090 2.106 0.550 0.508 1.000 0.667 CA 1.587 13 residues pruned to eliminate duplicates Z: 24 20.904 2.216 0.685 0.427 0.870 0.565 CB 1.448 20 residues pruned to eliminate duplicates Z: 7 8.260 1.975 0.682 0.527 0.667 0.667 CA 1.482 7 residues pruned to eliminate duplicates Z: 18 21.988 2.126 0.817 0.607 0.882 0.706 CB 1.414 18 residues pruned to eliminate duplicates Z: 20 20.999 1.997 0.941 0.444 0.895 0.684 CB 1.471 20 residues pruned to eliminate duplicates Z: 6 12.858 2.121 0.847 0.640 0.800 0.800 CA 1.610 6 residues pruned to eliminate duplicates Z: 13 13.772 2.047 1.005 0.454 0.833 0.500 CA 1.218 13 residues pruned to eliminate duplicates Z: 32 18.737 1.949 0.720 0.380 0.839 0.613 CB 1.359 32 residues pruned to eliminate duplicates Z: 14 16.732 2.045 0.633 0.439 1.000 0.615 CB 1.480 14 residues pruned to eliminate duplicates Z: 27 18.065 2.154 0.521 0.331 0.885 0.654 CB 1.472 4 residues pruned to eliminate duplicates Z: 7 12.453 1.811 1.139 0.597 0.833 0.833 CA 1.435 7 residues pruned to eliminate duplicates Z: 12 10.540 1.848 0.836 0.473 0.727 0.636 CB 1.324 14 residues pruned to eliminate duplicates Z: 17 18.326 2.043 0.568 0.499 1.000 0.688 CB 1.431 16 residues pruned to eliminate duplicates Z: 18 17.958 2.076 0.778 0.517 0.882 0.706 CB 1.315 18 residues pruned to eliminate duplicates Z: 11 6.615 1.681 0.611 0.459 0.700 0.500 CA 1.150 11 residues pruned to eliminate duplicates Z: 31 20.455 2.112 0.573 0.315 0.900 0.600 CB 1.533 32 residues pruned to eliminate duplicates Z: 35 21.445 2.094 0.717 0.320 0.853 0.529 CA 1.462 30 residues pruned to eliminate duplicates Z: 8 5.714 1.670 0.355 0.426 0.857 0.286 CB 1.203 9 residues pruned to eliminate duplicates Z: 13 10.997 1.820 0.722 0.490 0.917 0.667 CB 1.116 13 residues pruned to eliminate duplicates Z: 14 17.302 2.077 0.619 0.484 1.000 0.769 CB 1.451 14 residues pruned to eliminate duplicates Z: 12 16.691 2.079 0.850 0.531 0.909 0.636 CB 1.396 12 residues pruned to eliminate duplicates Z: 9 12.558 2.008 0.934 0.508 0.750 0.500 CB 1.512 9 residues pruned to eliminate duplicates Z: 19 18.205 2.044 0.853 0.403 0.889 0.500 CB 1.412 19 residues pruned to eliminate duplicates Z: 13 12.445 2.013 0.633 0.461 0.917 0.583 CB 1.241 12 residues pruned to eliminate duplicates Z: 19 15.922 2.140 0.699 0.336 0.944 0.722 CB 1.307 19 residues pruned to eliminate duplicates Z: 43 31.415 2.124 0.715 0.409 0.905 0.524 CB 1.619 43 residues pruned to eliminate duplicates Z: 22 23.659 2.139 0.610 0.464 0.952 0.571 CB 1.633 22 residues pruned to eliminate duplicates Z: 29 15.185 2.041 0.410 0.302 0.893 0.536 CB 1.393 29 residues pruned to eliminate duplicates Z: 30 21.949 2.004 0.799 0.450 0.897 0.690 CB 1.328 30 residues pruned to eliminate duplicates Z: 43 28.064 2.175 0.727 0.370 0.929 0.548 CB 1.427 43 residues pruned to eliminate duplicates Z: 28 20.319 2.120 0.648 0.329 0.926 0.556 CB 1.459 28 residues pruned to eliminate duplicates Z: 25 12.876 2.164 0.257 0.278 0.875 0.458 CB 1.419 25 residues pruned to eliminate duplicates Z: 9 8.905 1.643 0.693 0.574 1.000 0.375 CB 1.054 10 residues pruned to eliminate duplicates Z: 20 25.421 1.960 1.118 0.426 0.947 0.632 CB 1.602 20 residues pruned to eliminate duplicates Z: 23 12.996 1.928 0.467 0.362 0.818 0.409 CB 1.389 23 residues pruned to eliminate duplicates Z: 21 21.399 2.177 0.706 0.368 0.950 0.600 CB 1.563 21 residues pruned to eliminate duplicates Z: 36 15.589 2.071 0.346 0.350 0.829 0.543 CB 1.343 36 residues pruned to eliminate duplicates Z: 31 21.598 1.955 0.804 0.433 0.900 0.633 CB 1.332 31 residues pruned to eliminate duplicates Z: 9 9.053 1.797 0.706 0.343 1.000 0.875 CB 1.239 Z: 23 22.832 2.199 0.728 0.388 1.000 0.591 CB 1.442 25 residues pruned to eliminate duplicates Z: 73 33.319 2.140 0.654 0.361 0.903 0.528 CB 1.427 65 residues pruned to eliminate duplicates Z: 29 17.852 2.134 0.584 0.327 0.893 0.536 CB 1.353 29 residues pruned to eliminate duplicates Z: 11 6.542 1.704 0.310 0.291 0.900 0.300 CB 1.301 10 residues pruned to eliminate duplicates Z: 9 16.254 2.195 0.962 0.762 0.875 0.875 CB 1.208 9 residues pruned to eliminate duplicates Z: 23 17.051 1.946 0.712 0.349 0.909 0.591 CB 1.413 23 residues pruned to eliminate duplicates Z: 12 13.817 2.064 0.784 0.565 0.818 0.636 CB 1.298 12 residues pruned to eliminate duplicates Z: 22 17.483 2.020 0.623 0.597 1.000 0.714 CB 1.060 22 residues pruned to eliminate duplicates Z: 35 17.694 2.030 0.563 0.316 0.824 0.529 CB 1.423 35 residues pruned to eliminate duplicates Z: 28 20.210 2.088 0.540 0.490 0.815 0.593 CB 1.499 28 residues pruned to eliminate duplicates Z: 12 17.613 2.093 1.259 0.529 0.909 0.545 CB 1.201 14 residues pruned to eliminate duplicates Z: 24 18.897 2.026 0.602 0.375 0.957 0.522 CB 1.451 24 residues pruned to eliminate duplicates Z: 20 23.366 2.165 0.667 0.465 0.947 0.579 CB 1.624 20 residues pruned to eliminate duplicates Z: 16 15.914 1.930 0.535 0.514 1.000 0.800 CB 1.368 16 residues pruned to eliminate duplicates Z: 17 15.033 2.071 0.782 0.406 0.750 0.500 CA 1.499 17 residues pruned to eliminate duplicates Z: 31 28.159 2.158 0.795 0.406 0.900 0.567 CB 1.627 31 residues pruned to eliminate duplicates Z: 20 17.653 2.271 0.628 0.468 0.789 0.632 CB 1.433 20 residues pruned to eliminate duplicates Z: 6 6.070 1.730 0.193 0.835 1.000 1.000 CA 0.985 6 residues pruned to eliminate duplicates Z: 50 18.164 2.048 0.586 0.321 0.796 0.551 CB 1.222 69 residues pruned to eliminate duplicates Z: 13 16.149 1.953 0.950 0.529 0.833 0.667 CB 1.427 15 residues pruned to eliminate duplicates Z: 27 22.816 2.253 0.761 0.403 0.808 0.462 CB 1.547 27 residues pruned to eliminate duplicates Z: 13 16.095 2.116 0.582 0.407 1.000 0.583 CA 1.531 Z: 11 9.582 1.985 0.643 0.490 0.800 0.500 CB 1.173 11 residues pruned to eliminate duplicates Z: 15 18.569 2.030 1.043 0.425 0.929 0.643 CB 1.393 14 residues pruned to eliminate duplicates Z: 31 15.157 1.932 0.565 0.316 0.900 0.633 CB 1.246 31 residues pruned to eliminate duplicates Z: 21 21.228 2.161 0.608 0.440 0.950 0.550 CB 1.530 21 residues pruned to eliminate duplicates Z: 25 14.215 2.093 0.670 0.357 0.792 0.625 CB 1.225 25 residues pruned to eliminate duplicates Z: 69 34.673 2.151 0.643 0.385 0.926 0.529 CB 1.451 69 residues pruned to eliminate duplicates Z: 35 23.639 2.181 0.733 0.387 0.882 0.588 CB 1.370 35 residues pruned to eliminate duplicates Z: 38 18.067 2.031 0.588 0.323 0.838 0.541 CB 1.335 38 residues pruned to eliminate duplicates Z: 36 17.119 2.066 0.395 0.341 0.886 0.600 CB 1.347 36 residues pruned to eliminate duplicates Z: 18 17.983 2.085 0.736 0.584 0.824 0.588 CB 1.349 18 residues pruned to eliminate duplicates Z: 37 30.131 2.128 0.981 0.471 0.889 0.556 CB 1.380 37 residues pruned to eliminate duplicates Z: 12 16.513 2.097 0.650 0.471 1.000 0.727 CB 1.482 12 residues pruned to eliminate duplicates Z: 18 18.406 2.071 0.777 0.507 0.824 0.588 CB 1.462 18 residues pruned to eliminate duplicates Z: 46 18.586 2.072 0.590 0.344 0.778 0.533 CB 1.281 46 residues pruned to eliminate duplicates Z: 8 11.405 1.758 0.821 0.717 0.857 0.714 CB 1.290 8 residues pruned to eliminate duplicates Z: 9 9.252 1.896 0.771 0.538 0.875 0.625 CB 1.073 9 residues pruned to eliminate duplicates Z: 19 20.081 2.140 0.615 0.476 0.944 0.611 CB 1.486 19 residues pruned to eliminate duplicates Z: 13 7.499 1.692 0.632 0.388 0.833 0.583 CB 1.060 13 residues pruned to eliminate duplicates Z: 32 18.717 2.045 0.668 0.322 0.871 0.484 CB 1.376 32 residues pruned to eliminate duplicates Z: 8 7.693 1.842 0.812 0.589 0.857 0.857 CB 0.933 8 residues pruned to eliminate duplicates Z: 48 33.064 2.127 0.803 0.398 0.894 0.596 CB 1.566 48 residues pruned to eliminate duplicates Z: 14 8.394 2.013 0.408 0.337 0.846 0.308 CB 1.161 14 residues pruned to eliminate duplicates Z: 58 28.178 2.119 0.690 0.329 0.825 0.526 CB 1.525 58 residues pruned to eliminate duplicates Z: 41 23.110 2.090 0.857 0.307 0.900 0.475 CB 1.296 41 residues pruned to eliminate duplicates Z: 9 15.636 2.057 0.433 0.803 1.000 0.875 CB 1.439 9 residues pruned to eliminate duplicates Z: 26 16.763 1.997 0.579 0.365 0.920 0.560 CB 1.336 26 residues pruned to eliminate duplicates Z: 23 23.884 2.134 0.689 0.447 0.955 0.591 CB 1.563 24 residues pruned to eliminate duplicates Z: 51 34.718 2.218 0.737 0.403 0.940 0.520 CB 1.501 51 residues pruned to eliminate duplicates Z: 22 20.640 2.146 0.687 0.357 0.952 0.571 CB 1.524 22 residues pruned to eliminate duplicates Z: 12 18.570 2.125 0.733 0.531 1.000 0.545 CB 1.474 13 residues pruned to eliminate duplicates Z: 61 27.813 2.051 0.698 0.346 0.867 0.550 CB 1.406 61 residues pruned to eliminate duplicates Z: 7 4.239 1.488 0.557 0.446 0.667 0.500 CB 1.185 Z: 11 15.793 2.055 0.908 0.635 1.000 0.700 CB 1.122 11 residues pruned to eliminate duplicates Z: 22 19.004 1.987 0.989 0.407 0.857 0.619 CB 1.350 22 residues pruned to eliminate duplicates Z: 6 10.127 1.613 0.913 0.831 1.000 0.400 CB 1.103 6 residues pruned to eliminate duplicates Z: 7 13.327 2.082 0.534 0.651 1.000 1.000 CA 1.479 7 residues pruned to eliminate duplicates Z: 9 10.068 1.859 0.390 0.615 0.875 0.750 CA 1.412 9 residues pruned to eliminate duplicates Z: 30 30.036 2.182 0.693 0.493 0.931 0.759 CB 1.633 29 residues pruned to eliminate duplicates Z: 35 27.993 2.161 0.838 0.433 0.882 0.588 CB 1.469 35 residues pruned to eliminate duplicates Z: 16 17.812 2.210 0.865 0.251 0.933 0.667 CB 1.592 16 residues pruned to eliminate duplicates Z: 6 2.483 1.477 0.127 0.439 0.800 0.600 C 0.888 Z: 14 11.728 1.942 0.728 0.396 0.769 0.462 CB 1.407 14 residues pruned to eliminate duplicates Z: 6 2.655 1.431 0.816 0.587 0.600 0.400 CB 0.701 6 residues pruned to eliminate duplicates Z: 31 25.561 2.140 0.685 0.412 0.933 0.567 CB 1.521 31 residues pruned to eliminate duplicates Z: 16 25.107 2.367 0.639 0.616 0.933 0.667 CA 1.605 16 residues pruned to eliminate duplicates Z: 15 15.020 1.966 0.673 0.479 0.929 0.571 CA 1.343 15 residues pruned to eliminate duplicates Z: 38 18.432 2.007 0.499 0.369 0.865 0.514 CB 1.341 37 residues pruned to eliminate duplicates Z: 8 8.558 1.672 0.300 0.713 1.000 1.000 CB 1.227 Z: 20 13.162 1.944 0.592 0.380 0.842 0.526 CB 1.316 20 residues pruned to eliminate duplicates Z: 17 11.646 1.808 0.614 0.464 0.812 0.500 CB 1.273 17 residues pruned to eliminate duplicates Z: 24 19.109 2.031 0.602 0.435 0.913 0.565 CB 1.435 24 residues pruned to eliminate duplicates Z: 20 12.650 2.018 0.341 0.297 0.947 0.789 CB 1.421 20 residues pruned to eliminate duplicates Z: 45 24.954 2.037 0.778 0.335 0.909 0.455 CB 1.368 45 residues pruned to eliminate duplicates Z: 21 12.053 2.014 0.339 0.270 0.900 0.700 CB 1.442 21 residues pruned to eliminate duplicates Z: 8 6.673 1.491 0.554 0.755 1.000 0.857 CB 0.868 Z: 7 8.469 1.811 0.588 0.498 0.833 0.500 CB 1.446 7 residues pruned to eliminate duplicates Z: 9 9.852 1.905 0.438 0.545 1.000 0.750 CB 1.216 10 residues pruned to eliminate duplicates Z: 26 18.638 2.027 0.865 0.437 0.880 0.600 CB 1.197 26 residues pruned to eliminate duplicates Z: 36 18.232 2.030 0.431 0.366 0.886 0.514 CB 1.384 37 residues pruned to eliminate duplicates Z: 12 9.834 1.975 0.473 0.385 0.818 0.455 CB 1.408 12 residues pruned to eliminate duplicates Z: 68 31.204 2.116 0.621 0.350 0.910 0.463 CB 1.436 68 residues pruned to eliminate duplicates Z: 17 13.668 2.115 0.534 0.347 0.938 0.438 CB 1.326 17 residues pruned to eliminate duplicates Z: 22 19.189 2.283 0.617 0.287 0.905 0.476 CB 1.593 22 residues pruned to eliminate duplicates Z: 8 20.355 2.022 0.848 0.748 1.000 0.857 CB 1.650 8 residues pruned to eliminate duplicates Z: 40 16.503 1.960 0.574 0.305 0.846 0.385 CB 1.257 40 residues pruned to eliminate duplicates Z: 21 16.702 2.020 0.514 0.445 0.900 0.650 CB 1.436 29 residues pruned to eliminate duplicates Z: 30 20.917 2.046 0.852 0.300 0.931 0.621 CB 1.376 30 residues pruned to eliminate duplicates Z: 25 12.254 1.849 0.666 0.308 0.792 0.500 CB 1.270 25 residues pruned to eliminate duplicates Z: 18 19.980 2.117 0.796 0.551 0.941 0.706 CB 1.288 18 residues pruned to eliminate duplicates Z: 24 14.634 2.087 0.412 0.416 0.783 0.652 CB 1.445 24 residues pruned to eliminate duplicates Z: 11 10.063 1.913 0.571 0.329 0.800 0.500 CA 1.596 11 residues pruned to eliminate duplicates Z: 14 8.329 1.906 0.577 0.376 0.846 0.615 CB 1.036 14 residues pruned to eliminate duplicates Z: 7 4.500 1.538 0.493 0.505 1.000 0.833 CB 0.796 Z: 21 13.595 1.728 0.984 0.402 0.800 0.550 CB 1.230 21 residues pruned to eliminate duplicates Z: 30 17.243 1.840 0.633 0.404 0.931 0.586 CB 1.265 24 residues pruned to eliminate duplicates Z: 8 18.811 2.056 0.840 0.750 1.000 0.857 CB 1.503 8 residues pruned to eliminate duplicates Z: 12 13.952 1.976 0.937 0.473 0.818 0.636 CA 1.381 12 residues pruned to eliminate duplicates Z: 8 5.936 1.712 0.342 0.518 0.857 0.429 CB 1.119 8 residues pruned to eliminate duplicates Z: 7 4.791 1.642 0.000 0.667 0.833 0.833 CA 1.225 7 residues pruned to eliminate duplicates Z: 14 11.064 1.992 0.495 0.321 0.923 0.615 CB 1.360 14 residues pruned to eliminate duplicates Z: 71 38.454 2.157 0.756 0.396 0.886 0.629 CB 1.529 71 residues pruned to eliminate duplicates Z: 7 2.136 1.438 0.420 0.262 0.833 0.500 CB 0.672 7 residues pruned to eliminate duplicates Z: 16 7.954 1.889 0.284 0.333 0.733 0.400 CB 1.385 16 residues pruned to eliminate duplicates Z: 66 30.561 2.099 0.678 0.401 0.892 0.585 CB 1.339 66 residues pruned to eliminate duplicates Z: 15 6.989 1.832 0.383 0.176 0.857 0.500 CB 1.272 15 residues pruned to eliminate duplicates Z: 26 14.073 2.080 0.349 0.281 0.920 0.560 CB 1.396 26 residues pruned to eliminate duplicates Z: 12 13.317 1.959 0.901 0.457 0.909 0.727 CB 1.240 12 residues pruned to eliminate duplicates Z: 18 8.049 1.914 0.414 0.415 0.824 0.706 CB 0.957 18 residues pruned to eliminate duplicates Z: 35 26.298 2.130 0.728 0.434 0.882 0.588 CB 1.486 35 residues pruned to eliminate duplicates Z: 7 16.982 2.002 1.031 0.648 1.000 0.833 CB 1.485 7 residues pruned to eliminate duplicates Z: 12 12.175 1.827 0.762 0.487 1.000 0.545 CA 1.156 12 residues pruned to eliminate duplicates Z: 12 17.192 1.869 0.935 0.617 0.818 0.727 C 1.569 12 residues pruned to eliminate duplicates Z: 17 14.731 1.947 0.620 0.408 0.875 0.688 CB 1.470 17 residues pruned to eliminate duplicates Z: 50 22.689 2.097 0.698 0.273 0.857 0.449 CB 1.375 50 residues pruned to eliminate duplicates Z: 34 27.341 2.119 0.726 0.371 0.970 0.576 CA 1.541 34 residues pruned to eliminate duplicates Z: 21 18.161 2.064 0.613 0.550 0.950 0.700 CB 1.223 21 residues pruned to eliminate duplicates Z: 9 14.729 1.982 0.873 0.813 1.000 0.875 CB 1.068 14 residues pruned to eliminate duplicates Z: 9 6.950 1.433 0.463 0.727 1.000 0.625 N 0.955 9 residues pruned to eliminate duplicates Z: 8 3.964 1.571 0.429 0.399 0.714 0.429 CB 1.039 8 residues pruned to eliminate duplicates Z: 9 6.608 1.574 0.589 0.261 0.875 0.625 C 1.402 9 residues pruned to eliminate duplicates Z: 21 11.852 1.870 0.507 0.278 0.850 0.600 CB 1.423 21 residues pruned to eliminate duplicates Z: 20 16.084 2.029 0.686 0.437 0.842 0.526 CB 1.367 20 residues pruned to eliminate duplicates Z: 11 14.551 1.878 0.428 0.730 1.000 0.800 CB 1.396 11 residues pruned to eliminate duplicates Z: 32 15.315 1.825 0.509 0.425 0.839 0.516 CB 1.288 32 residues pruned to eliminate duplicates Z: 22 19.012 2.034 0.626 0.435 0.905 0.667 CA 1.483 22 residues pruned to eliminate duplicates Z: 19 11.034 2.066 0.191 0.448 0.778 0.556 CB 1.434 19 residues pruned to eliminate duplicates Z: 29 16.276 1.995 0.507 0.320 0.929 0.536 CB 1.344 29 residues pruned to eliminate duplicates Z: 31 26.530 2.141 0.731 0.357 0.967 0.600 CB 1.579 31 residues pruned to eliminate duplicates Z: 10 8.505 1.984 0.398 0.559 0.889 0.667 CB 1.086 10 residues pruned to eliminate duplicates Z: 9 11.116 1.771 0.800 0.669 0.750 0.750 CA 1.406 9 residues pruned to eliminate duplicates Z: 6 4.966 1.610 0.252 0.666 0.800 0.800 CB 1.182 Z: 10 17.792 1.958 0.614 0.738 1.000 0.778 CB 1.515 10 residues pruned to eliminate duplicates Z: 10 23.436 2.080 0.960 0.724 1.000 0.778 CA 1.565 13 residues pruned to eliminate duplicates Z: 31 25.161 1.987 0.896 0.492 0.867 0.567 CB 1.419 31 residues pruned to eliminate duplicates Z: 27 15.557 2.011 0.539 0.408 0.769 0.500 CB 1.411 27 residues pruned to eliminate duplicates Z: 12 6.345 1.659 0.681 0.304 0.636 0.455 CB 1.340 12 residues pruned to eliminate duplicates Z: 12 15.462 2.037 0.357 0.597 1.000 0.909 CB 1.537 13 residues pruned to eliminate duplicates Z: 12 11.469 2.029 0.613 0.410 0.818 0.455 CB 1.420 12 residues pruned to eliminate duplicates Z: 59 32.944 2.204 0.750 0.347 0.862 0.569 CB 1.536 59 residues pruned to eliminate duplicates Z: 7 2.098 1.113 0.410 0.240 1.000 0.667 CA 0.737 Z: 13 11.056 1.952 0.636 0.467 0.750 0.583 CB 1.378 13 residues pruned to eliminate duplicates Z: 29 22.483 1.968 0.851 0.478 0.893 0.571 CB 1.336 29 residues pruned to eliminate duplicates Z: 12 18.667 2.261 0.614 0.424 1.000 0.636 CA 1.669 12 residues pruned to eliminate duplicates Z: 11 6.826 1.860 0.214 0.430 0.900 0.600 CB 1.143 11 residues pruned to eliminate duplicates Z: 23 14.311 1.916 0.727 0.335 0.864 0.545 CB 1.280 23 residues pruned to eliminate duplicates Z: 7 5.756 1.456 0.766 0.458 1.000 0.500 CB 0.953 Z: 7 11.790 2.109 0.615 0.472 1.000 0.833 CA 1.454 7 residues pruned to eliminate duplicates Z: 19 8.535 1.793 0.337 0.316 0.944 0.667 CB 1.089 14 residues pruned to eliminate duplicates Z: 23 15.101 1.957 0.772 0.411 0.773 0.545 CA 1.320 23 residues pruned to eliminate duplicates Z: 24 14.269 1.888 0.744 0.452 0.783 0.478 CB 1.213 24 residues pruned to eliminate duplicates Z: 12 15.360 2.215 0.803 0.323 0.909 0.727 CB 1.549 11 residues pruned to eliminate duplicates Z: 6 10.488 1.514 0.887 0.844 1.000 0.800 CB 1.221 6 residues pruned to eliminate duplicates Z: 35 29.310 2.240 0.733 0.448 0.912 0.618 CB 1.497 35 residues pruned to eliminate duplicates Z: 16 12.063 2.272 0.283 0.255 0.867 0.467 CB 1.633 16 residues pruned to eliminate duplicates Z: 29 24.721 2.064 0.634 0.503 0.893 0.679 CB 1.548 29 residues pruned to eliminate duplicates Z: 8 6.061 1.731 0.762 0.524 0.857 0.571 CB 0.856 8 residues pruned to eliminate duplicates Z: 6 2.181 1.371 -0.105 0.499 1.000 0.800 CB 0.796 Z: 11 18.032 1.903 0.714 0.662 1.000 0.700 CB 1.505 11 residues pruned to eliminate duplicates Z: 46 24.954 2.086 0.691 0.366 0.911 0.578 CB 1.336 66 residues pruned to eliminate duplicates Z: 17 13.351 1.986 0.678 0.357 0.875 0.562 CB 1.334 17 residues pruned to eliminate duplicates Z: 21 18.642 2.067 0.757 0.519 0.900 0.700 CB 1.252 21 residues pruned to eliminate duplicates Z: 14 17.903 1.974 0.607 0.516 1.000 0.692 CB 1.540 14 residues pruned to eliminate duplicates Z: 6 2.573 1.498 0.307 0.430 0.800 0.600 CB 0.790 Z: 6 2.384 1.657 0.077 0.241 0.800 0.200 N 1.007 Z: 15 7.989 1.733 0.464 0.227 0.929 0.714 CB 1.246 15 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 12 21.017 2.235 0.627 0.550 1.000 0.455 CA 1.660 12 residues pruned to eliminate duplicates Z: 6 3.575 1.512 0.442 0.273 0.800 0.400 C 1.185 4 residues pruned to eliminate duplicates Z: 6 6.413 1.960 0.706 0.385 1.000 0.600 CA 0.969 6 residues pruned to eliminate duplicates Z: 42 20.795 1.993 0.617 0.356 0.878 0.585 CB 1.340 53 residues pruned to eliminate duplicates Z: 21 15.989 2.025 0.780 0.304 0.900 0.450 CB 1.372 Z: 6 8.056 1.564 0.911 0.449 1.000 1.000 C 1.271 Z: 6 7.521 1.565 0.959 0.481 1.000 0.400 CA 1.118 6 residues pruned to eliminate duplicates Z: 37 34.594 2.144 0.896 0.486 0.944 0.611 CB 1.523 37 residues pruned to eliminate duplicates Z: 22 23.678 2.166 0.679 0.404 1.000 0.667 CB 1.571 22 residues pruned to eliminate duplicates Z: 24 21.983 2.092 0.539 0.445 1.000 0.565 CB 1.506 24 residues pruned to eliminate duplicates Z: 20 22.134 2.173 0.539 0.457 0.947 0.632 CB 1.676 20 residues pruned to eliminate duplicates Z: 22 22.957 2.168 0.590 0.427 0.952 0.619 CB 1.646 23 residues pruned to eliminate duplicates Z: 8 8.729 1.536 0.998 0.504 1.000 0.429 CB 1.070 8 residues pruned to eliminate duplicates Z: 40 24.287 2.037 0.759 0.398 0.846 0.538 CB 1.429 40 residues pruned to eliminate duplicates Z: 20 21.957 2.159 0.676 0.420 0.947 0.526 CB 1.598 20 residues pruned to eliminate duplicates Z: 23 24.290 2.151 0.605 0.439 1.000 0.591 CB 1.597 23 residues pruned to eliminate duplicates Z: 71 40.257 2.166 0.788 0.393 0.886 0.571 CB 1.571 71 residues pruned to eliminate duplicates Z: 21 23.754 2.196 0.723 0.418 0.950 0.600 CA 1.609 21 residues pruned to eliminate duplicates Z: 30 32.791 2.178 0.912 0.440 0.966 0.621 CB 1.611 30 residues pruned to eliminate duplicates Z: 31 34.638 2.156 0.927 0.465 0.933 0.633 CB 1.690 31 residues pruned to eliminate duplicates Z: 8 8.666 1.736 0.705 0.447 1.000 0.571 CA 1.169 8 residues pruned to eliminate duplicates Z: 30 31.959 2.175 0.849 0.461 0.966 0.621 CB 1.590 30 residues pruned to eliminate duplicates Z: 26 30.333 2.228 0.787 0.474 0.960 0.520 CB 1.629 26 residues pruned to eliminate duplicates Z: 8 8.509 1.956 0.533 0.230 0.857 0.286 CA 1.713 8 residues pruned to eliminate duplicates Z: 35 20.218 2.035 0.585 0.346 0.853 0.559 CB 1.489 35 residues pruned to eliminate duplicates Z: 31 22.013 2.039 0.761 0.381 0.933 0.567 CB 1.360 31 residues pruned to eliminate duplicates Z: 37 35.925 2.151 0.964 0.473 0.917 0.639 CB 1.589 37 residues pruned to eliminate duplicates Z: 61 32.035 2.153 0.678 0.405 0.900 0.567 CB 1.406 61 residues pruned to eliminate duplicates Z: 8 11.192 1.916 0.815 0.567 0.714 0.714 CB 1.595 8 residues pruned to eliminate duplicates Z: 40 23.029 2.183 0.613 0.318 0.821 0.538 CB 1.560 40 residues pruned to eliminate duplicates Z: 8 12.654 2.018 0.653 0.521 1.000 1.000 CA 1.404 8 residues pruned to eliminate duplicates Z: 39 30.598 2.218 0.738 0.364 0.895 0.553 CB 1.666 39 residues pruned to eliminate duplicates Z: 10 12.956 1.824 0.720 0.436 1.000 0.889 CA 1.471 10 residues pruned to eliminate duplicates Z: 41 27.328 2.152 0.672 0.374 0.875 0.525 CB 1.570 41 residues pruned to eliminate duplicates Z: 10 6.562 1.816 0.899 0.216 0.667 0.333 CB 1.329 10 residues pruned to eliminate duplicates Z: 31 16.982 2.111 0.474 0.315 0.833 0.600 CB 1.467 31 residues pruned to eliminate duplicates Z: 31 20.266 2.165 0.519 0.293 0.933 0.567 CB 1.519 31 residues pruned to eliminate duplicates Z: 60 29.778 2.203 0.680 0.299 0.898 0.542 CB 1.460 60 residues pruned to eliminate duplicates Z: 78 34.469 2.173 0.610 0.349 0.896 0.532 CB 1.476 78 residues pruned to eliminate duplicates Z: 81 33.493 2.156 0.658 0.315 0.875 0.500 CB 1.468 81 residues pruned to eliminate duplicates Z: 19 18.380 2.038 0.781 0.367 0.944 0.722 CB 1.457 19 residues pruned to eliminate duplicates Z: 34 18.637 2.075 0.625 0.307 0.848 0.424 CB 1.405 34 residues pruned to eliminate duplicates Z: 30 21.956 2.222 0.583 0.290 0.931 0.448 CB 1.576 30 residues pruned to eliminate duplicates Z: 21 15.832 2.264 0.501 0.256 0.850 0.600 CA 1.622 21 residues pruned to eliminate duplicates Z: 33 22.233 2.197 0.653 0.307 0.875 0.469 CB 1.533 33 residues pruned to eliminate duplicates Z: 148 46.266 2.117 0.634 0.366 0.905 0.510 CB 1.409 148 residues pruned to eliminate duplicates Z: 27 18.227 2.081 0.558 0.329 0.923 0.577 CA 1.441 27 residues pruned to eliminate duplicates Z: 34 26.775 2.230 0.586 0.381 0.939 0.576 CB 1.593 34 residues pruned to eliminate duplicates Z: 31 22.057 2.153 0.550 0.351 0.933 0.500 CB 1.520 31 residues pruned to eliminate duplicates Z: 37 23.222 2.171 0.760 0.360 0.806 0.556 CB 1.462 37 residues pruned to eliminate duplicates Z: 33 25.622 2.235 0.698 0.363 0.906 0.594 CB 1.526 33 residues pruned to eliminate duplicates Z: 22 14.988 2.204 0.472 0.307 0.810 0.619 CB 1.544 22 residues pruned to eliminate duplicates Z: 70 37.534 2.175 0.653 0.392 0.899 0.609 CB 1.568 70 residues pruned to eliminate duplicates Z: 56 29.985 2.158 0.633 0.353 0.891 0.491 CB 1.511 56 residues pruned to eliminate duplicates Z: 36 26.179 2.133 0.720 0.384 0.914 0.629 CB 1.491 36 residues pruned to eliminate duplicates Z: 26 20.973 2.255 0.587 0.389 0.840 0.680 CA 1.570 26 residues pruned to eliminate duplicates Z: 26 20.353 2.215 0.532 0.399 0.880 0.560 CB 1.517 26 residues pruned to eliminate duplicates Z: 41 26.659 2.105 0.794 0.368 0.875 0.625 CB 1.470 41 residues pruned to eliminate duplicates Z: 51 32.739 2.136 0.794 0.431 0.920 0.660 CB 1.411 51 residues pruned to eliminate duplicates Z: 22 16.910 2.203 0.543 0.378 0.810 0.667 CB 1.528 22 residues pruned to eliminate duplicates Z: 43 26.118 2.112 0.685 0.365 0.905 0.548 CB 1.447 43 residues pruned to eliminate duplicates Z: 39 24.770 2.128 0.684 0.361 0.842 0.632 CA 1.547 39 residues pruned to eliminate duplicates Z: 46 27.312 2.184 0.650 0.397 0.911 0.533 CB 1.382 46 residues pruned to eliminate duplicates Z: 80 38.871 2.222 0.771 0.377 0.873 0.481 CB 1.451 80 residues pruned to eliminate duplicates Z: 14 16.838 2.171 1.054 0.560 0.846 0.615 CB 1.168 14 residues pruned to eliminate duplicates Z: 14 19.336 2.154 1.017 0.520 1.000 0.692 CB 1.210 14 residues pruned to eliminate duplicates Z: 61 32.264 2.184 0.734 0.391 0.917 0.583 CB 1.347 61 residues pruned to eliminate duplicates Z: 15 14.338 2.118 0.896 0.467 0.857 0.571 CB 1.151 15 residues pruned to eliminate duplicates Z: 55 25.410 2.053 0.722 0.360 0.907 0.556 CB 1.254 55 residues pruned to eliminate duplicates Z: 16 9.410 1.946 0.705 0.415 0.733 0.467 CB 1.092 16 residues pruned to eliminate duplicates Z: 18 12.988 1.967 0.827 0.453 0.941 0.706 CB 0.978 18 residues pruned to eliminate duplicates Z: 34 27.042 2.207 0.859 0.440 0.879 0.667 CB 1.389 34 residues pruned to eliminate duplicates Z: 45 25.433 2.119 0.635 0.387 0.909 0.591 CB 1.373 45 residues pruned to eliminate duplicates Z: 17 13.300 1.974 0.759 0.416 1.000 0.625 CB 1.045 17 residues pruned to eliminate duplicates Z: 15 12.740 2.109 0.708 0.451 0.857 0.643 CB 1.159 15 residues pruned to eliminate duplicates Z: 44 28.245 2.150 0.834 0.348 0.953 0.605 CB 1.351 44 residues pruned to eliminate duplicates Z: 57 34.327 2.183 0.832 0.391 0.929 0.571 CB 1.387 57 residues pruned to eliminate duplicates Z: 43 28.216 2.175 0.766 0.358 0.929 0.524 CB 1.423 43 residues pruned to eliminate duplicates Z: 56 34.869 2.213 0.871 0.369 0.909 0.491 CB 1.437 56 residues pruned to eliminate duplicates Z: 59 28.134 2.105 0.695 0.393 0.879 0.621 CB 1.319 59 residues pruned to eliminate duplicates Z: 58 29.365 2.141 0.684 0.355 0.912 0.579 CB 1.382 58 residues pruned to eliminate duplicates Z: 69 32.221 2.113 0.669 0.351 0.912 0.544 CB 1.429 69 residues pruned to eliminate duplicates Z: 52 31.526 2.150 0.829 0.361 0.922 0.529 CB 1.415 52 residues pruned to eliminate duplicates Z: 54 32.418 2.193 0.736 0.356 0.887 0.566 CB 1.541 54 residues pruned to eliminate duplicates Z: 50 33.494 2.190 0.794 0.378 0.959 0.531 CB 1.446 50 residues pruned to eliminate duplicates Z: 59 32.634 2.158 0.809 0.383 0.897 0.603 CB 1.386 59 residues pruned to eliminate duplicates Z: 74 31.096 2.167 0.682 0.332 0.877 0.479 CB 1.368 74 residues pruned to eliminate duplicates Z: 42 31.165 2.216 0.847 0.350 0.927 0.610 CB 1.509 42 residues pruned to eliminate duplicates Z: 55 30.798 2.162 0.680 0.382 0.926 0.574 CB 1.413 55 residues pruned to eliminate duplicates Z: 43 25.128 2.078 0.737 0.360 0.833 0.643 CB 1.499 43 residues pruned to eliminate duplicates Z: 98 40.816 2.164 0.708 0.383 0.887 0.536 CB 1.432 98 residues pruned to eliminate duplicates Z: 68 35.922 2.158 0.721 0.377 0.925 0.597 CB 1.455 68 residues pruned to eliminate duplicates Z: 60 32.308 2.104 0.710 0.369 0.932 0.542 CB 1.442 60 residues pruned to eliminate duplicates Z: 22 16.396 2.151 0.803 0.215 0.857 0.476 CB 1.505 22 residues pruned to eliminate duplicates Z: 39 20.396 2.089 0.674 0.256 0.789 0.553 CB 1.584 39 residues pruned to eliminate duplicates Z: 41 27.254 2.201 0.774 0.349 0.900 0.575 CB 1.444 41 residues pruned to eliminate duplicates Z: 8 7.729 1.794 0.798 0.343 0.714 0.571 N 1.504 8 residues pruned to eliminate duplicates Z: 22 21.356 2.155 0.738 0.305 0.952 0.571 CB 1.623 22 residues pruned to eliminate duplicates Z: 24 21.199 2.169 0.791 0.357 0.913 0.435 CB 1.454 24 residues pruned to eliminate duplicates Z: 33 27.175 2.189 0.711 0.333 0.969 0.500 CB 1.591 33 residues pruned to eliminate duplicates Z: 51 32.080 2.195 0.677 0.395 0.940 0.620 CB 1.464 51 residues pruned to eliminate duplicates Z: 57 32.281 2.202 0.666 0.394 0.875 0.607 CB 1.503 57 residues pruned to eliminate duplicates Z: 45 28.633 2.098 0.708 0.426 0.909 0.455 CB 1.432 45 residues pruned to eliminate duplicates Z: 48 27.965 2.094 0.732 0.331 0.915 0.596 CB 1.480 48 residues pruned to eliminate duplicates Z: 19 22.848 2.250 0.869 0.363 0.944 0.556 CB 1.571 19 residues pruned to eliminate duplicates Z: 45 23.326 2.127 0.590 0.377 0.864 0.523 CB 1.373 45 residues pruned to eliminate duplicates Z: 103 42.615 2.156 0.700 0.395 0.892 0.569 CB 1.442 103 residues pruned to eliminate duplicates Z: 70 33.423 2.123 0.693 0.372 0.913 0.507 CB 1.406 70 residues pruned to eliminate duplicates Z: 70 34.075 2.097 0.669 0.368 0.928 0.551 CB 1.456 70 residues pruned to eliminate duplicates Z: 52 32.663 2.215 0.739 0.384 0.902 0.510 CB 1.489 52 residues pruned to eliminate duplicates Z: 41 22.745 1.974 0.778 0.370 0.850 0.450 CB 1.385 41 residues pruned to eliminate duplicates Z: 38 25.291 2.092 0.681 0.317 0.946 0.486 CB 1.530 38 residues pruned to eliminate duplicates Z: 42 27.990 2.185 0.683 0.364 0.902 0.659 CB 1.524 42 residues pruned to eliminate duplicates Z: 46 27.516 2.159 0.739 0.338 0.889 0.578 CB 1.467 46 residues pruned to eliminate duplicates Z: 14 13.799 1.938 1.016 0.315 0.846 0.615 CB 1.420 14 residues pruned to eliminate duplicates Z: 78 32.666 2.069 0.669 0.326 0.948 0.506 CB 1.377 78 residues pruned to eliminate duplicates Z: 25 22.142 2.079 0.631 0.482 0.958 0.500 CB 1.418 25 residues pruned to eliminate duplicates Z: 59 32.853 2.133 0.808 0.365 0.914 0.569 CB 1.415 60 residues pruned to eliminate duplicates Z: 8 7.911 1.832 0.606 0.426 1.000 0.286 CA 1.097 8 residues pruned to eliminate duplicates Z: 23 18.752 2.083 0.669 0.418 0.818 0.409 CB 1.531 23 residues pruned to eliminate duplicates Z: 51 34.978 2.214 0.818 0.381 0.960 0.580 CB 1.454 51 residues pruned to eliminate duplicates Z: 29 17.089 1.983 0.467 0.380 0.929 0.464 CB 1.359 29 residues pruned to eliminate duplicates Z: 18 20.682 2.144 0.803 0.422 0.941 0.412 CB 1.496 18 residues pruned to eliminate duplicates Z: 21 16.831 2.046 0.579 0.474 0.900 0.600 CB 1.329 21 residues pruned to eliminate duplicates Z: 25 16.358 2.011 0.610 0.395 0.875 0.417 CB 1.317 25 residues pruned to eliminate duplicates Z: 25 15.442 2.066 0.511 0.358 0.917 0.417 CB 1.283 25 residues pruned to eliminate duplicates Z: 21 11.629 1.884 0.507 0.322 0.850 0.550 CB 1.311 21 residues pruned to eliminate duplicates Z: 28 14.747 1.937 0.565 0.326 0.926 0.370 CB 1.224 28 residues pruned to eliminate duplicates Z: 31 21.652 2.087 0.719 0.371 0.933 0.433 CB 1.355 31 residues pruned to eliminate duplicates Z: 60 31.023 2.145 0.726 0.334 0.898 0.492 CB 1.455 60 residues pruned to eliminate duplicates Z: 26 15.575 1.971 0.705 0.350 0.880 0.600 CB 1.239 26 residues pruned to eliminate duplicates Z: 15 8.312 1.928 0.486 0.292 0.857 0.500 CB 1.143 15 residues pruned to eliminate duplicates Z: 28 13.122 1.922 0.543 0.278 0.926 0.481 CB 1.182 28 residues pruned to eliminate duplicates Z: 37 22.773 2.096 0.775 0.363 0.889 0.472 CB 1.330 38 residues pruned to eliminate duplicates Z: 6 3.946 1.565 0.424 0.296 1.000 0.400 CA 0.994 6 residues pruned to eliminate duplicates Z: 31 12.681 1.870 0.608 0.274 0.767 0.300 CB 1.297 30 residues pruned to eliminate duplicates Z: 6 3.515 1.518 0.537 0.249 0.800 0.600 C 1.124 6 residues pruned to eliminate duplicates Z: 26 13.945 1.900 0.587 0.353 0.880 0.480 CB 1.233 25 residues pruned to eliminate duplicates Z: 6 4.224 1.696 0.065 0.297 1.000 0.600 CB 1.312 6 residues pruned to eliminate duplicates Z: 31 16.342 2.055 0.625 0.320 0.800 0.433 CB 1.363 31 residues pruned to eliminate duplicates Z: 21 20.043 2.091 0.755 0.546 0.900 0.650 CB 1.297 21 residues pruned to eliminate duplicates Z: 22 14.912 2.016 0.562 0.484 0.952 0.667 CB 1.102 22 residues pruned to eliminate duplicates Z: 21 23.589 2.115 0.795 0.588 0.900 0.650 CB 1.419 22 residues pruned to eliminate duplicates Z: 6 4.451 1.634 1.457 0.466 0.600 0.400 CA 0.856 6 residues pruned to eliminate duplicates Z: 19 19.268 2.056 0.875 0.579 0.889 0.556 CB 1.228 19 residues pruned to eliminate duplicates Z: 21 22.471 2.109 0.795 0.574 1.000 0.650 CB 1.235 21 residues pruned to eliminate duplicates Z: 6 3.037 1.825 0.437 0.294 0.800 0.600 CB 0.816 6 residues pruned to eliminate duplicates Z: 20 18.932 2.031 0.655 0.568 0.895 0.526 CB 1.353 20 residues pruned to eliminate duplicates Z: 21 20.250 1.954 0.932 0.549 0.900 0.600 CB 1.270 22 residues pruned to eliminate duplicates Z: 6 4.449 1.729 0.614 0.374 0.800 0.600 CA 1.020 6 residues pruned to eliminate duplicates Z: 23 19.233 1.952 0.715 0.515 0.955 0.545 CB 1.264 20 residues pruned to eliminate duplicates Z: 6 3.519 1.439 0.691 0.468 1.000 0.600 C 0.668 6 residues pruned to eliminate duplicates Z: 12 15.829 2.260 0.929 0.428 0.818 0.636 CB 1.441 12 residues pruned to eliminate duplicates Z: 20 25.322 2.319 0.881 0.508 0.842 0.737 CB 1.569 21 residues pruned to eliminate duplicates Z: 6 3.762 1.530 0.900 0.273 0.800 0.600 CA 0.936 6 residues pruned to eliminate duplicates Z: 52 26.136 2.076 0.867 0.351 0.882 0.529 CB 1.258 79 residues pruned to eliminate duplicates Z: 22 22.683 2.315 0.854 0.448 0.857 0.667 CB 1.420 22 residues pruned to eliminate duplicates Z: 12 12.702 2.333 0.866 0.397 0.727 0.545 CB 1.348 12 residues pruned to eliminate duplicates Z: 37 23.270 2.172 0.741 0.391 0.833 0.583 CB 1.381 37 residues pruned to eliminate duplicates Z: 24 20.538 2.210 0.611 0.450 0.870 0.565 CB 1.456 24 residues pruned to eliminate duplicates Z: 52 22.307 2.071 0.669 0.349 0.863 0.431 CB 1.234 52 residues pruned to eliminate duplicates Z: 24 18.512 2.267 0.781 0.389 0.783 0.565 CB 1.374 24 residues pruned to eliminate duplicates Z: 36 22.800 2.197 0.712 0.386 0.800 0.543 CB 1.446 36 residues pruned to eliminate duplicates Z: 35 20.552 2.174 0.655 0.386 0.765 0.588 CB 1.445 35 residues pruned to eliminate duplicates Z: 37 30.435 2.213 0.849 0.445 0.889 0.556 CB 1.476 37 residues pruned to eliminate duplicates Z: 6 2.805 1.494 0.115 0.300 0.800 0.800 C 1.176 6 residues pruned to eliminate duplicates Z: 36 21.968 2.168 0.699 0.378 0.771 0.571 CB 1.488 36 residues pruned to eliminate duplicates Z: 41 20.165 2.031 0.558 0.320 0.925 0.525 CB 1.328 41 residues pruned to eliminate duplicates Z: 32 19.127 2.034 0.661 0.339 0.903 0.581 CB 1.342 32 residues pruned to eliminate duplicates Z: 16 10.513 1.982 0.575 0.332 0.800 0.533 CB 1.306 16 residues pruned to eliminate duplicates Z: 37 23.888 2.152 0.916 0.393 0.778 0.556 CB 1.390 37 residues pruned to eliminate duplicates Z: 15 11.576 1.959 0.512 0.329 0.857 0.429 CB 1.469 15 residues pruned to eliminate duplicates Z: 41 20.809 2.007 0.578 0.358 0.925 0.600 CB 1.309 47 residues pruned to eliminate duplicates Z: 25 13.928 1.946 0.578 0.366 0.917 0.667 CB 1.167 25 residues pruned to eliminate duplicates Z: 42 22.375 2.120 0.665 0.384 0.805 0.512 CB 1.391 42 residues pruned to eliminate duplicates Z: 16 13.174 2.022 0.579 0.362 0.867 0.467 CB 1.425 16 residues pruned to eliminate duplicates Z: 13 14.791 2.060 0.734 0.463 0.833 0.583 CB 1.491 13 residues pruned to eliminate duplicates Z: 23 12.821 1.944 0.405 0.379 0.909 0.500 CB 1.252 23 residues pruned to eliminate duplicates Z: 31 15.236 1.940 0.686 0.359 0.867 0.567 CB 1.142 31 residues pruned to eliminate duplicates Z: 46 24.398 2.027 0.837 0.353 0.822 0.489 CB 1.393 46 residues pruned to eliminate duplicates Z: 10 8.258 1.907 0.894 0.451 0.778 0.444 CB 1.030 10 residues pruned to eliminate duplicates Z: 39 18.121 2.010 0.408 0.405 0.921 0.553 CB 1.246 39 residues pruned to eliminate duplicates Z: 38 20.214 2.011 0.811 0.332 0.865 0.649 CB 1.269 38 residues pruned to eliminate duplicates Z: 17 13.646 2.061 0.463 0.422 0.938 0.750 CB 1.310 17 residues pruned to eliminate duplicates Z: 21 20.939 2.013 1.123 0.522 0.850 0.700 CB 1.261 21 residues pruned to eliminate duplicates Z: 21 17.701 2.018 1.071 0.478 0.800 0.600 CB 1.210 21 residues pruned to eliminate duplicates Z: 40 19.835 2.046 0.638 0.351 0.872 0.538 CB 1.277 40 residues pruned to eliminate duplicates Z: 28 14.912 2.056 0.444 0.298 0.926 0.481 CB 1.308 28 residues pruned to eliminate duplicates Z: 28 12.127 2.033 0.417 0.234 0.852 0.481 CB 1.295 28 residues pruned to eliminate duplicates Z: 45 18.264 1.999 0.479 0.336 0.886 0.568 CB 1.257 45 residues pruned to eliminate duplicates Z: 34 17.829 1.993 0.677 0.295 0.848 0.455 CB 1.376 34 residues pruned to eliminate duplicates Z: 18 12.605 1.965 0.467 0.373 0.941 0.529 CB 1.290 18 residues pruned to eliminate duplicates Z: 41 20.190 2.004 0.623 0.365 0.875 0.550 CB 1.296 41 residues pruned to eliminate duplicates Z: 20 10.617 2.060 0.246 0.269 0.895 0.737 CB 1.379 20 residues pruned to eliminate duplicates Z: 79 27.937 2.103 0.583 0.367 0.821 0.526 CB 1.336 91 residues pruned to eliminate duplicates Z: 59 26.565 2.065 0.608 0.374 0.862 0.586 CB 1.394 59 residues pruned to eliminate duplicates Z: 49 22.175 2.052 0.562 0.364 0.833 0.542 CB 1.387 49 residues pruned to eliminate duplicates Z: 29 16.258 2.055 0.316 0.330 0.929 0.607 CB 1.475 28 residues pruned to eliminate duplicates Z: 7 8.206 1.866 0.302 0.530 1.000 0.833 CB 1.339 7 residues pruned to eliminate duplicates Z: 28 12.819 2.037 0.376 0.293 0.852 0.556 CB 1.303 28 residues pruned to eliminate duplicates Z: 29 16.313 2.090 0.416 0.342 0.893 0.607 CB 1.386 29 residues pruned to eliminate duplicates Z: 50 23.500 2.051 0.638 0.389 0.857 0.592 CB 1.312 50 residues pruned to eliminate duplicates Z: 57 27.749 2.081 0.702 0.381 0.857 0.518 CB 1.386 57 residues pruned to eliminate duplicates Z: 8 10.215 2.218 0.606 0.563 0.714 0.714 CA 1.428 8 residues pruned to eliminate duplicates Z: 9 10.608 2.067 0.482 0.493 0.875 0.500 CB 1.410 9 residues pruned to eliminate duplicates Z: 21 20.777 2.174 0.635 0.439 0.900 0.650 CB 1.546 13 residues pruned to eliminate duplicates Z: 23 12.847 1.931 0.455 0.336 0.818 0.500 CA 1.425 23 residues pruned to eliminate duplicates Z: 48 25.037 2.050 0.626 0.362 0.894 0.574 CB 1.423 48 residues pruned to eliminate duplicates Z: 23 21.702 2.186 0.606 0.448 0.909 0.636 CB 1.529 23 residues pruned to eliminate duplicates Z: 57 27.589 2.067 0.718 0.380 0.839 0.589 CB 1.405 57 residues pruned to eliminate duplicates Z: 48 20.476 2.066 0.535 0.342 0.851 0.553 CB 1.315 48 residues pruned to eliminate duplicates Z: 55 26.681 2.097 0.655 0.353 0.833 0.500 CB 1.472 55 residues pruned to eliminate duplicates Z: 11 13.562 2.122 0.523 0.399 1.000 0.600 CB 1.476 11 residues pruned to eliminate duplicates Z: 11 12.734 2.097 0.564 0.451 0.900 0.700 CB 1.434 11 residues pruned to eliminate duplicates Z: 11 15.861 2.147 0.678 0.480 1.000 0.700 CB 1.420 11 residues pruned to eliminate duplicates Z: 8 9.399 2.002 1.055 0.627 0.857 0.857 CB 0.894 8 residues pruned to eliminate duplicates Z: 8 18.645 2.133 0.841 0.662 1.000 0.714 CB 1.544 8 residues pruned to eliminate duplicates 240 residues left after pruning, divided into chains as follows: A: 145 B: 18 C: 77 CC for partial structure against native data = 37.91 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.393, Connect. = 0.731 for dens.mod. cycle 1 = 0.309, Contrast = 0.452, Connect. = 0.755 for dens.mod. cycle 2 = 0.312, Contrast = 0.547, Connect. = 0.786 for dens.mod. cycle 3 = 0.311, Contrast = 0.554, Connect. = 0.786 for dens.mod. cycle 4 = 0.312, Contrast = 0.569, Connect. = 0.789 for dens.mod. cycle 5 = 0.311, Contrast = 0.574, Connect. = 0.790 for dens.mod. cycle 6 = 0.312, Contrast = 0.584, Connect. = 0.793 for dens.mod. cycle 7 = 0.312, Contrast = 0.588, Connect. = 0.793 for dens.mod. cycle 8 TimeTaking 106.9