++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 21:56:36 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2hyt-1.8-parrot-noncs/2hyt-1.8-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2hyt-1.8-parrot-noncs/2hyt-1.8-parrot-noncs.ins Phases from ./2hyt-1.8-parrot-noncs/2hyt-1.8-parrot-noncs.phi Native data from ./2hyt-1.8-parrot-noncs/2hyt-1.8-parrot-noncs.hkl Listing output to ./2hyt-1.8-parrot-noncs/2hyt-1.8-parrot-noncs.lst Phases output to ./2hyt-1.8-parrot-noncs/2hyt-1.8-parrot-noncs.phs Poly-Ala trace output to ./2hyt-1.8-parrot-noncs/2hyt-1.8-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 3 2 1 Allowed origin shift code: 10 20953 Reflections read from file ./2hyt-1.8-parrot-noncs/2hyt-1.8-parrot-noncs.phi 20953 Reflections read from file ./2hyt-1.8-parrot-noncs/2hyt-1.8-parrot-noncs.hkl 20953 Unique data, highest resolution = 1.800 Angstroms Anisotropic scaling: intensities multiplied by 0.000012h^2 +0.000012k^2 +0.000027l^2 +0.000000kl +0.000000hl +0.000012hk 14 Reflections with d > 2.000 and 0 in range 2.000 > d > 1.800 added Density sharpening factor set to 1.05 Fourier grid = 256 x 256 x 48 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.737 = 0.300, Contrast = 0.118, Connect. = 0.607 for dens.mod. cycle 1 = 0.300, Contrast = 0.302, Connect. = 0.667 for dens.mod. cycle 2 = 0.300, Contrast = 0.512, Connect. = 0.764 for dens.mod. cycle 3 = 0.300, Contrast = 0.586, Connect. = 0.789 for dens.mod. cycle 4 = 0.300, Contrast = 0.617, Connect. = 0.801 for dens.mod. cycle 5 = 0.300, Contrast = 0.634, Connect. = 0.807 for dens.mod. cycle 6 = 0.300, Contrast = 0.644, Connect. = 0.811 for dens.mod. cycle 7 = 0.300, Contrast = 0.650, Connect. = 0.814 for dens.mod. cycle 8 = 0.300, Contrast = 0.654, Connect. = 0.815 for dens.mod. cycle 9 = 0.300, Contrast = 0.656, Connect. = 0.816 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1155 peaks > 0.5 sigma used to seed fragment search Space for about 244 unique residues taking solvent into account 233 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 60.493 2.254 1.370 0.959 1.000 0.714 CB 1.694 B: 23 44.272 2.202 1.006 0.923 0.909 0.682 CB 1.652 23 residues pruned to eliminate duplicates C: 23 51.549 2.192 1.242 0.949 0.955 0.864 CB 1.618 23 residues pruned to eliminate duplicates D: 22 56.302 2.248 1.263 0.955 1.000 0.810 CB 1.659 22 residues pruned to eliminate duplicates E: 23 54.712 2.204 1.178 0.951 1.000 0.773 CB 1.674 23 residues pruned to eliminate duplicates F: 23 54.732 2.197 1.182 0.948 1.000 0.773 CB 1.680 23 residues pruned to eliminate duplicates G: 21 44.718 2.158 1.454 0.908 1.000 0.600 CB 1.341 H: 22 25.469 2.053 0.868 0.924 0.905 0.857 CB 1.125 I: 20 39.828 2.212 1.190 0.912 1.000 0.684 CB 1.335 20 residues pruned to eliminate duplicates J: 29 57.217 2.214 1.218 0.957 1.000 0.679 CB 1.511 K: 28 63.390 2.280 1.340 0.962 1.000 1.000 CB 1.564 29 residues pruned to eliminate duplicates L: 27 62.832 2.267 1.385 0.960 1.000 0.846 CB 1.560 27 residues pruned to eliminate duplicates M: 12 34.881 2.295 1.194 0.917 1.000 0.636 CB 1.475 N: 10 20.940 2.080 1.029 0.826 0.889 0.667 CB 1.404 10 residues pruned to eliminate duplicates O: 9 18.084 2.057 0.768 0.748 1.000 0.750 CB 1.409 P: 10 15.980 2.128 0.578 0.715 0.778 0.444 CB 1.679 Q: 22 40.755 2.075 0.964 0.962 1.000 0.762 CB 1.492 R: 23 43.193 2.074 1.232 0.960 1.000 0.818 CB 1.362 22 residues pruned to eliminate duplicates S: 23 46.392 2.179 1.130 0.926 0.955 0.636 CB 1.565 23 residues pruned to eliminate duplicates T: 9 17.543 2.004 0.784 0.868 0.875 0.750 CA 1.449 9 residues pruned to eliminate duplicates U: 21 27.920 2.090 1.125 0.598 0.950 0.750 CB 1.348 2 residues pruned to eliminate duplicates V: 24 42.896 2.088 1.171 0.886 1.000 0.783 CB 1.423 12 residues pruned to eliminate duplicates W: 21 35.436 2.113 0.858 0.953 0.950 0.600 CB 1.463 21 residues pruned to eliminate duplicates X: 9 19.215 1.977 0.702 0.856 1.000 0.750 CA 1.489 9 residues pruned to eliminate duplicates Y: 24 41.967 2.085 1.109 0.939 1.000 0.522 CB 1.383 24 residues pruned to eliminate duplicates Z: 24 51.561 2.151 1.370 0.948 0.913 0.609 CB 1.595 24 residues pruned to eliminate duplicates Z: 24 39.768 2.138 0.868 0.951 1.000 0.870 CB 1.431 24 residues pruned to eliminate duplicates Z: 21 36.958 2.149 0.980 0.896 1.000 0.700 CB 1.391 21 residues pruned to eliminate duplicates Z: 27 46.668 2.294 0.720 0.959 1.000 0.962 CB 1.589 27 residues pruned to eliminate duplicates Z: 23 61.958 2.241 1.366 0.958 1.000 0.682 CB 1.709 22 residues pruned to eliminate duplicates Z: 28 59.475 2.250 1.263 0.971 1.000 0.852 CB 1.528 28 residues pruned to eliminate duplicates Z: 10 14.558 2.072 0.466 0.763 0.778 0.444 CB 1.626 3 residues pruned to eliminate duplicates Z: 22 32.107 2.102 0.690 0.919 0.952 0.762 CB 1.459 22 residues pruned to eliminate duplicates Z: 23 45.705 2.170 1.046 0.948 0.955 0.864 CB 1.588 23 residues pruned to eliminate duplicates Z: 22 36.937 2.070 0.876 0.957 1.000 0.857 CB 1.425 22 residues pruned to eliminate duplicates Z: 21 31.165 2.122 0.806 0.867 1.000 0.700 CB 1.331 21 residues pruned to eliminate duplicates Z: 23 50.473 2.233 1.110 0.954 1.000 0.864 CB 1.570 24 residues pruned to eliminate duplicates Z: 23 40.525 2.089 1.008 0.966 1.000 0.955 CB 1.405 23 residues pruned to eliminate duplicates Z: 23 26.648 1.974 0.879 0.921 1.000 0.909 CB 1.078 22 residues pruned to eliminate duplicates Z: 22 36.604 2.054 0.872 0.954 1.000 0.714 CB 1.428 22 residues pruned to eliminate duplicates Z: 7 14.301 2.064 0.587 0.878 1.000 0.333 CB 1.293 7 residues pruned to eliminate duplicates Z: 11 15.265 1.944 0.690 0.862 1.000 0.800 CB 1.079 11 residues pruned to eliminate duplicates Z: 28 52.470 2.268 0.947 0.958 1.000 0.704 CB 1.569 28 residues pruned to eliminate duplicates Z: 28 52.494 2.255 1.003 0.956 1.000 0.778 CB 1.536 28 residues pruned to eliminate duplicates Z: 27 60.219 2.269 1.262 0.962 1.000 0.846 CB 1.574 27 residues pruned to eliminate duplicates Z: 23 50.097 2.228 0.990 0.947 1.000 0.864 CA 1.664 23 residues pruned to eliminate duplicates Z: 23 45.899 2.187 1.164 0.945 1.000 0.773 CB 1.431 23 residues pruned to eliminate duplicates Z: 8 14.547 1.747 1.111 0.870 0.714 0.571 C 1.523 8 residues pruned to eliminate duplicates Z: 30 51.809 2.183 1.249 0.895 1.000 0.793 CB 1.405 30 residues pruned to eliminate duplicates Z: 21 30.579 2.115 0.985 0.866 0.950 0.800 CB 1.255 21 residues pruned to eliminate duplicates Z: 10 19.811 2.112 0.758 0.789 0.889 0.778 CB 1.553 10 residues pruned to eliminate duplicates Z: 17 21.639 2.074 0.672 0.795 0.812 0.375 CB 1.483 17 residues pruned to eliminate duplicates Z: 21 39.140 2.095 0.986 0.961 1.000 0.900 CB 1.439 21 residues pruned to eliminate duplicates Z: 20 35.332 2.206 1.024 0.907 0.947 0.632 CB 1.362 20 residues pruned to eliminate duplicates Z: 7 16.280 2.140 1.080 0.871 0.833 0.833 CA 1.306 7 residues pruned to eliminate duplicates Z: 22 43.465 2.082 1.111 0.956 1.000 0.810 CB 1.482 22 residues pruned to eliminate duplicates Z: 20 33.712 2.174 1.094 0.887 0.947 0.579 CB 1.293 20 residues pruned to eliminate duplicates Z: 8 15.365 1.889 0.491 0.865 1.000 1.000 CB 1.510 8 residues pruned to eliminate duplicates Z: 27 51.712 2.269 0.940 0.959 1.000 0.962 CB 1.579 27 residues pruned to eliminate duplicates Z: 21 43.663 2.095 1.154 0.964 1.000 0.800 CB 1.478 21 residues pruned to eliminate duplicates Z: 23 53.140 2.239 1.279 0.955 1.000 0.909 CB 1.526 23 residues pruned to eliminate duplicates Z: 21 35.066 2.184 1.131 0.923 0.950 0.750 CB 1.246 21 residues pruned to eliminate duplicates Z: 28 58.595 2.245 1.346 0.945 0.963 0.667 CB 1.538 28 residues pruned to eliminate duplicates Z: 42 54.453 2.248 1.133 0.744 0.902 0.683 CB 1.579 37 residues pruned to eliminate duplicates Z: 29 35.413 2.168 0.613 0.905 0.929 0.893 CB 1.467 29 residues pruned to eliminate duplicates Z: 11 25.913 2.000 1.143 0.930 1.000 0.700 CA 1.337 11 residues pruned to eliminate duplicates Z: 10 14.233 1.742 0.696 0.874 0.778 0.556 O 1.503 9 residues pruned to eliminate duplicates Z: 22 49.044 2.271 0.974 0.943 1.000 0.810 CB 1.654 22 residues pruned to eliminate duplicates Z: 22 40.233 2.082 0.978 0.962 1.000 0.762 CB 1.458 22 residues pruned to eliminate duplicates Z: 10 26.711 2.150 0.973 0.837 1.000 0.889 CA 1.570 10 residues pruned to eliminate duplicates Z: 59 51.690 2.146 0.978 0.691 0.931 0.776 CB 1.442 63 residues pruned to eliminate duplicates Z: 23 37.638 2.060 0.943 0.950 1.000 0.909 CB 1.382 23 residues pruned to eliminate duplicates Z: 28 50.626 2.254 0.945 0.957 1.000 0.778 CB 1.525 28 residues pruned to eliminate duplicates Z: 21 40.188 2.128 0.941 0.965 1.000 0.900 CB 1.485 21 residues pruned to eliminate duplicates Z: 29 52.669 2.178 1.327 0.930 0.964 0.571 CB 1.424 29 residues pruned to eliminate duplicates Z: 22 42.336 2.234 0.686 0.946 1.000 0.952 CB 1.697 22 residues pruned to eliminate duplicates Z: 21 30.544 2.115 0.781 0.917 1.000 0.800 CB 1.279 21 residues pruned to eliminate duplicates Z: 15 16.587 2.080 0.703 0.786 0.786 0.429 CB 1.239 15 residues pruned to eliminate duplicates Z: 27 57.798 2.254 1.189 0.956 1.000 0.769 CB 1.578 27 residues pruned to eliminate duplicates Z: 9 17.151 1.901 0.870 0.861 1.000 0.875 CB 1.253 9 residues pruned to eliminate duplicates Z: 10 24.083 2.172 1.103 0.854 1.000 0.778 CB 1.298 10 residues pruned to eliminate duplicates Z: 23 33.324 2.043 0.710 0.960 1.000 0.818 CB 1.393 23 residues pruned to eliminate duplicates Z: 23 37.158 2.155 0.723 0.915 0.955 0.818 CA 1.580 23 residues pruned to eliminate duplicates Z: 9 33.535 2.295 1.281 0.890 1.000 0.750 CB 1.629 9 residues pruned to eliminate duplicates Z: 20 39.832 2.199 1.251 0.950 1.000 0.684 CB 1.273 20 residues pruned to eliminate duplicates Z: 20 35.830 2.217 1.250 0.936 0.895 0.526 CB 1.282 20 residues pruned to eliminate duplicates Z: 23 29.723 2.089 0.984 0.855 0.955 0.818 CB 1.182 23 residues pruned to eliminate duplicates Z: 21 38.987 2.203 1.248 0.908 0.950 0.800 CB 1.316 21 residues pruned to eliminate duplicates Z: 21 30.183 2.116 0.950 0.926 1.000 0.700 CB 1.147 21 residues pruned to eliminate duplicates Z: 16 26.227 1.999 0.527 0.893 1.000 0.867 CB 1.592 16 residues pruned to eliminate duplicates Z: 28 52.052 2.263 1.032 0.948 0.963 0.889 CB 1.563 28 residues pruned to eliminate duplicates Z: 28 54.795 2.257 1.220 0.944 0.963 0.778 CB 1.513 28 residues pruned to eliminate duplicates Z: 22 34.160 2.054 1.147 0.945 1.000 0.667 CB 1.170 23 residues pruned to eliminate duplicates Z: 28 51.834 2.266 0.925 0.949 1.000 0.815 CB 1.578 28 residues pruned to eliminate duplicates Z: 23 40.134 2.212 0.620 0.930 1.000 0.818 CA 1.670 23 residues pruned to eliminate duplicates Z: 22 32.197 2.057 1.083 0.953 1.000 0.571 CB 1.128 22 residues pruned to eliminate duplicates Z: 11 23.266 2.047 0.924 0.891 1.000 0.900 CA 1.342 11 residues pruned to eliminate duplicates Z: 12 28.483 2.165 1.204 0.931 1.000 0.727 CB 1.258 12 residues pruned to eliminate duplicates Z: 21 25.925 2.097 0.816 0.950 0.950 0.700 CB 1.105 21 residues pruned to eliminate duplicates Z: 9 32.804 2.317 1.219 0.858 1.000 1.000 CB 1.661 9 residues pruned to eliminate duplicates Z: 28 49.850 2.215 1.311 0.921 0.926 0.556 CB 1.424 28 residues pruned to eliminate duplicates Z: 8 8.024 1.761 0.732 0.576 0.714 0.429 CB 1.293 8 residues pruned to eliminate duplicates Z: 42 53.400 2.258 0.920 0.720 0.976 0.780 CB 1.616 42 residues pruned to eliminate duplicates Z: 23 43.892 2.066 1.163 0.946 1.000 0.864 CB 1.448 23 residues pruned to eliminate duplicates Z: 21 38.720 2.105 0.884 0.962 1.000 0.950 CB 1.493 21 residues pruned to eliminate duplicates Z: 22 45.089 2.075 1.232 0.957 1.000 0.714 CB 1.458 22 residues pruned to eliminate duplicates Z: 22 38.961 2.095 0.911 0.953 1.000 0.857 CB 1.461 22 residues pruned to eliminate duplicates Z: 22 35.775 2.076 0.814 0.959 1.000 1.000 CB 1.421 22 residues pruned to eliminate duplicates Z: 27 52.182 2.272 1.031 0.960 1.000 0.846 CB 1.519 27 residues pruned to eliminate duplicates Z: 22 28.389 2.037 0.815 0.940 1.000 0.810 CB 1.164 22 residues pruned to eliminate duplicates Z: 28 57.646 2.249 1.255 0.967 1.000 0.556 CB 1.491 28 residues pruned to eliminate duplicates Z: 22 24.560 1.980 0.927 0.942 0.952 0.667 CB 1.023 22 residues pruned to eliminate duplicates Z: 35 40.226 2.178 1.008 0.733 0.912 0.676 CB 1.403 38 residues pruned to eliminate duplicates Z: 51 60.782 2.230 1.160 0.804 0.920 0.740 CB 1.487 51 residues pruned to eliminate duplicates Z: 20 36.384 2.174 1.007 0.902 0.947 0.579 CB 1.440 20 residues pruned to eliminate duplicates Z: 21 33.775 2.171 1.230 0.901 0.950 0.650 CB 1.172 21 residues pruned to eliminate duplicates Z: 54 60.520 2.251 0.987 0.743 0.962 0.792 CB 1.554 54 residues pruned to eliminate duplicates Z: 21 26.373 2.112 0.704 0.939 1.000 0.800 CB 1.139 21 residues pruned to eliminate duplicates Z: 30 56.323 2.209 1.307 0.796 1.000 0.621 CB 1.584 30 residues pruned to eliminate duplicates Z: 125 78.669 2.167 1.115 0.670 0.911 0.556 CB 1.446 128 residues pruned to eliminate duplicates Z: 23 42.573 2.064 1.181 0.953 1.000 0.545 CB 1.388 23 residues pruned to eliminate duplicates Z: 21 37.403 2.120 0.913 0.941 1.000 0.850 CB 1.432 21 residues pruned to eliminate duplicates Z: 22 52.602 2.245 1.348 0.949 1.000 0.714 CB 1.504 22 residues pruned to eliminate duplicates Z: 23 38.059 2.158 0.713 0.942 0.955 0.909 CB 1.595 23 residues pruned to eliminate duplicates Z: 10 20.338 1.870 0.931 0.874 1.000 0.333 CB 1.367 10 residues pruned to eliminate duplicates Z: 21 28.911 2.100 0.847 0.956 1.000 0.800 CB 1.145 21 residues pruned to eliminate duplicates Z: 22 34.143 2.073 0.746 0.960 1.000 1.000 CB 1.410 22 residues pruned to eliminate duplicates Z: 23 27.961 1.962 0.905 0.943 1.000 0.727 CB 1.105 23 residues pruned to eliminate duplicates Z: 22 47.492 2.256 0.925 0.945 1.000 0.810 CB 1.651 22 residues pruned to eliminate duplicates Z: 9 16.356 1.762 0.725 0.875 0.875 0.750 N 1.581 9 residues pruned to eliminate duplicates Z: 16 30.771 1.886 1.063 0.898 0.933 0.400 CB 1.566 16 residues pruned to eliminate duplicates Z: 21 29.565 2.106 0.911 0.962 1.000 0.850 CB 1.124 21 residues pruned to eliminate duplicates Z: 28 54.267 2.250 1.301 0.957 0.926 0.630 CB 1.496 28 residues pruned to eliminate duplicates Z: 7 6.134 2.124 0.180 0.456 0.667 0.500 CB 1.568 7 residues pruned to eliminate duplicates Z: 17 24.853 2.160 0.907 0.603 0.875 0.562 CA 1.564 17 residues pruned to eliminate duplicates Z: 77 65.620 2.218 0.951 0.720 0.934 0.671 CB 1.527 77 residues pruned to eliminate duplicates Z: 23 26.825 2.072 0.843 0.864 0.955 0.864 CB 1.150 23 residues pruned to eliminate duplicates Z: 22 42.838 2.172 1.145 0.864 0.952 0.714 CB 1.546 22 residues pruned to eliminate duplicates Z: 23 43.277 2.130 1.013 0.936 0.955 0.864 CB 1.571 23 residues pruned to eliminate duplicates Z: 19 40.434 2.243 1.222 0.959 1.000 0.667 CB 1.310 19 residues pruned to eliminate duplicates Z: 8 8.688 1.743 0.963 0.741 0.571 0.571 CB 1.353 8 residues pruned to eliminate duplicates Z: 14 16.460 1.970 0.722 0.631 0.923 0.769 CA 1.289 14 residues pruned to eliminate duplicates Z: 9 14.616 1.968 0.511 0.895 1.000 1.000 CA 1.245 9 residues pruned to eliminate duplicates Z: 13 22.707 2.157 0.902 0.697 0.917 0.750 CB 1.457 13 residues pruned to eliminate duplicates Z: 21 30.275 2.116 1.063 0.891 0.900 0.750 CB 1.239 21 residues pruned to eliminate duplicates Z: 37 46.926 2.241 1.128 0.595 0.972 0.778 CB 1.541 37 residues pruned to eliminate duplicates Z: 24 32.302 2.035 0.568 0.939 1.000 0.913 CA 1.467 24 residues pruned to eliminate duplicates Z: 12 25.151 2.128 0.827 0.920 1.000 0.818 CB 1.373 12 residues pruned to eliminate duplicates Z: 21 31.594 2.061 1.061 0.930 1.000 0.350 CB 1.163 21 residues pruned to eliminate duplicates Z: 21 26.355 2.080 0.895 0.909 1.000 0.650 CB 1.061 21 residues pruned to eliminate duplicates Z: 28 54.119 2.204 1.128 0.960 1.000 0.852 CB 1.521 28 residues pruned to eliminate duplicates Z: 10 16.381 1.974 0.685 0.850 0.889 0.778 CB 1.368 10 residues pruned to eliminate duplicates Z: 31 47.594 2.190 1.240 0.786 0.900 0.700 CB 1.530 31 residues pruned to eliminate duplicates Z: 8 17.501 2.103 1.226 0.682 1.000 0.571 CA 1.196 8 residues pruned to eliminate duplicates Z: 13 6.395 1.695 0.332 0.379 0.833 0.500 CA 1.116 13 residues pruned to eliminate duplicates Z: 23 43.470 2.073 1.191 0.957 1.000 0.682 CB 1.401 23 residues pruned to eliminate duplicates Z: 21 29.850 2.105 0.929 0.944 1.000 0.600 CB 1.139 21 residues pruned to eliminate duplicates Z: 15 21.646 2.116 0.773 0.516 0.929 0.786 CB 1.634 15 residues pruned to eliminate duplicates Z: 21 35.768 2.072 0.896 0.947 0.950 0.800 CB 1.481 21 residues pruned to eliminate duplicates Z: 21 24.387 2.067 0.640 0.928 1.000 0.900 CB 1.127 21 residues pruned to eliminate duplicates Z: 22 34.717 2.013 0.939 0.956 0.952 0.762 CB 1.399 22 residues pruned to eliminate duplicates Z: 43 47.071 2.184 0.800 0.721 0.976 0.738 CB 1.550 43 residues pruned to eliminate duplicates Z: 7 17.434 2.134 1.133 0.767 1.000 0.500 CB 1.235 7 residues pruned to eliminate duplicates Z: 24 43.869 2.084 1.052 0.950 0.957 0.652 CB 1.542 24 residues pruned to eliminate duplicates Z: 22 16.655 1.823 0.733 0.611 0.857 0.714 CB 1.209 22 residues pruned to eliminate duplicates Z: 36 31.621 2.050 0.600 0.742 0.857 0.800 CB 1.531 36 residues pruned to eliminate duplicates Z: 28 61.788 2.210 1.466 0.926 1.000 0.556 CB 1.530 28 residues pruned to eliminate duplicates Z: 39 27.685 2.008 0.930 0.460 0.868 0.474 CB 1.389 39 residues pruned to eliminate duplicates Z: 22 35.092 2.211 1.146 0.766 0.952 0.667 CB 1.338 22 residues pruned to eliminate duplicates Z: 36 36.393 2.158 1.138 0.531 0.886 0.657 CB 1.461 36 residues pruned to eliminate duplicates Z: 23 36.194 2.129 0.626 0.937 1.000 0.864 CB 1.550 23 residues pruned to eliminate duplicates Z: 17 13.165 1.862 0.611 0.901 0.938 0.500 CB 0.836 17 residues pruned to eliminate duplicates Z: 8 8.691 1.670 0.331 0.736 1.000 1.000 CA 1.196 8 residues pruned to eliminate duplicates Z: 23 35.308 2.082 0.777 0.899 1.000 0.773 CB 1.455 23 residues pruned to eliminate duplicates Z: 33 45.072 2.055 1.237 0.763 0.906 0.625 CB 1.514 33 residues pruned to eliminate duplicates Z: 46 41.961 2.113 1.033 0.639 0.911 0.578 CB 1.403 46 residues pruned to eliminate duplicates Z: 14 23.860 2.069 0.780 0.784 0.923 0.769 CA 1.516 14 residues pruned to eliminate duplicates Z: 23 39.962 2.035 1.182 0.956 0.955 0.636 CB 1.380 23 residues pruned to eliminate duplicates Z: 48 55.907 2.162 1.149 0.708 0.957 0.574 CB 1.518 48 residues pruned to eliminate duplicates Z: 58 59.628 2.225 0.994 0.788 0.947 0.719 CB 1.459 58 residues pruned to eliminate duplicates Z: 22 36.173 2.066 0.931 0.942 1.000 0.857 CB 1.372 22 residues pruned to eliminate duplicates Z: 19 26.630 2.110 1.006 0.828 0.944 0.667 CB 1.182 19 residues pruned to eliminate duplicates Z: 13 22.371 1.797 1.167 0.904 1.000 0.667 CB 1.181 13 residues pruned to eliminate duplicates Z: 9 6.674 1.914 0.045 0.845 0.625 0.375 CB 1.404 Z: 14 7.129 1.624 0.574 0.334 0.846 0.308 CB 1.096 14 residues pruned to eliminate duplicates Z: 10 27.243 2.072 1.092 0.915 1.000 0.444 CB 1.481 10 residues pruned to eliminate duplicates Z: 22 36.386 2.076 0.870 0.957 1.000 0.952 CB 1.403 22 residues pruned to eliminate duplicates Z: 8 12.922 1.905 0.846 0.746 1.000 0.857 CB 1.115 8 residues pruned to eliminate duplicates Z: 6 2.443 1.313 0.644 0.252 0.800 0.200 C 0.842 Z: 16 29.567 2.256 0.956 0.653 0.933 0.733 CB 1.607 16 residues pruned to eliminate duplicates Z: 6 2.154 1.185 0.309 0.411 0.800 0.600 C 0.853 181 residues left after pruning, divided into chains as follows: A: 22 B: 159 CC for partial structure against native data = 45.43 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.461, Connect. = 0.771 for dens.mod. cycle 1 = 0.300, Contrast = 0.528, Connect. = 0.793 for dens.mod. cycle 2 = 0.300, Contrast = 0.624, Connect. = 0.813 for dens.mod. cycle 3 = 0.300, Contrast = 0.632, Connect. = 0.813 for dens.mod. cycle 4 = 0.300, Contrast = 0.642, Connect. = 0.815 for dens.mod. cycle 5 = 0.300, Contrast = 0.646, Connect. = 0.816 for dens.mod. cycle 6 = 0.300, Contrast = 0.649, Connect. = 0.817 for dens.mod. cycle 7 = 0.300, Contrast = 0.651, Connect. = 0.817 for dens.mod. cycle 8 = 0.300, Contrast = 0.652, Connect. = 0.818 for dens.mod. cycle 9 = 0.300, Contrast = 0.653, Connect. = 0.818 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1242 peaks > 0.5 sigma used to seed fragment search Space for about 244 unique residues taking solvent into account 242 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 23 64.372 2.323 1.296 0.954 1.000 0.909 CA 1.769 B: 21 44.369 2.196 1.175 0.935 1.000 0.700 CB 1.447 C: 24 59.970 2.230 1.308 0.947 1.000 0.870 CB 1.678 24 residues pruned to eliminate duplicates D: 12 35.552 2.316 1.193 0.883 0.909 0.727 CA 1.678 E: 24 57.863 2.238 1.163 0.943 1.000 0.739 CA 1.727 24 residues pruned to eliminate duplicates F: 28 58.895 2.300 1.077 0.961 1.000 0.778 CB 1.624 G: 20 29.069 2.236 0.720 0.947 0.947 0.684 CB 1.264 H: 23 51.097 2.259 0.920 0.937 1.000 0.545 CB 1.748 23 residues pruned to eliminate duplicates I: 11 43.108 2.421 1.218 0.938 1.000 0.900 CA 1.765 12 residues pruned to eliminate duplicates J: 27 41.440 2.274 0.453 0.948 1.000 0.962 CB 1.699 27 residues pruned to eliminate duplicates K: 30 41.211 2.203 0.677 0.911 0.966 0.793 CB 1.520 30 residues pruned to eliminate duplicates L: 21 42.661 2.194 1.073 0.914 1.000 0.700 CB 1.483 21 residues pruned to eliminate duplicates M: 39 31.757 2.120 0.908 0.553 0.868 0.632 CB 1.393 N: 20 38.196 2.229 0.833 0.938 1.000 0.737 CB 1.492 20 residues pruned to eliminate duplicates O: 23 65.463 2.295 1.395 0.950 1.000 0.636 CB 1.751 23 residues pruned to eliminate duplicates P: 22 64.177 2.344 1.350 0.956 1.000 0.714 CB 1.745 22 residues pruned to eliminate duplicates Q: 10 21.040 2.122 0.774 0.691 1.000 0.667 CA 1.564 R: 23 51.678 2.243 1.088 0.940 1.000 0.773 CB 1.633 23 residues pruned to eliminate duplicates S: 10 19.469 2.188 0.682 0.896 0.889 0.889 CA 1.421 T: 24 50.019 2.390 0.951 0.958 0.957 0.652 CB 1.604 24 residues pruned to eliminate duplicates U: 20 37.707 2.266 0.973 0.929 0.947 0.526 CB 1.429 20 residues pruned to eliminate duplicates V: 28 53.381 2.307 0.959 0.964 0.963 0.852 CB 1.612 28 residues pruned to eliminate duplicates W: 10 20.678 2.140 0.347 0.793 1.000 0.444 CB 1.848 X: 21 44.889 2.166 0.987 0.953 1.000 0.750 CB 1.605 39 residues pruned to eliminate duplicates Y: 23 61.562 2.306 1.251 0.949 1.000 0.636 CA 1.745 23 residues pruned to eliminate duplicates Z: 11 29.791 2.139 1.256 0.837 0.900 0.600 CA 1.622 11 residues pruned to eliminate duplicates Z: 22 45.708 2.266 0.804 0.929 1.000 0.905 CB 1.707 22 residues pruned to eliminate duplicates Z: 28 51.255 2.285 0.917 0.957 0.963 0.741 CB 1.605 28 residues pruned to eliminate duplicates Z: 24 44.641 2.208 0.797 0.931 1.000 0.870 CA 1.640 24 residues pruned to eliminate duplicates Z: 27 61.834 2.352 1.154 0.964 1.000 0.500 CB 1.635 28 residues pruned to eliminate duplicates Z: 11 27.482 2.259 0.815 0.887 0.900 0.700 CA 1.698 11 residues pruned to eliminate duplicates Z: 28 47.902 2.279 0.792 0.950 0.963 0.815 CB 1.617 27 residues pruned to eliminate duplicates Z: 31 41.460 2.165 0.715 0.884 0.967 0.800 CB 1.525 31 residues pruned to eliminate duplicates Z: 24 37.822 2.097 0.909 0.923 1.000 0.783 CB 1.385 21 residues pruned to eliminate duplicates Z: 9 30.237 2.375 0.906 0.896 1.000 0.875 CB 1.691 Z: 21 33.411 2.195 0.922 0.936 1.000 0.550 CB 1.234 20 residues pruned to eliminate duplicates Z: 11 16.716 1.992 0.738 0.814 0.900 0.900 CA 1.290 12 residues pruned to eliminate duplicates Z: 23 46.429 2.155 1.020 0.960 1.000 0.864 CB 1.557 21 residues pruned to eliminate duplicates Z: 11 24.990 2.122 0.897 0.804 1.000 0.700 CA 1.506 11 residues pruned to eliminate duplicates Z: 28 54.886 2.272 1.097 0.939 1.000 0.593 CB 1.541 28 residues pruned to eliminate duplicates Z: 28 49.557 2.278 1.132 0.911 0.926 0.667 CB 1.503 28 residues pruned to eliminate duplicates Z: 22 47.858 2.172 1.134 0.963 1.000 0.952 CB 1.539 23 residues pruned to eliminate duplicates Z: 29 48.700 2.232 0.800 0.933 1.000 0.857 CB 1.599 29 residues pruned to eliminate duplicates Z: 28 65.937 2.317 1.295 0.964 1.000 0.889 CB 1.631 28 residues pruned to eliminate duplicates Z: 23 45.829 2.162 1.036 0.965 1.000 0.909 CB 1.515 23 residues pruned to eliminate duplicates Z: 28 56.422 2.306 1.018 0.947 1.000 0.815 CB 1.613 28 residues pruned to eliminate duplicates Z: 20 25.919 2.152 0.711 0.954 0.947 0.947 CB 1.172 19 residues pruned to eliminate duplicates Z: 64 50.815 2.170 0.767 0.640 0.937 0.730 CB 1.564 63 residues pruned to eliminate duplicates Z: 11 28.233 2.254 0.731 0.909 1.000 1.000 CA 1.624 11 residues pruned to eliminate duplicates Z: 29 60.470 2.271 1.228 0.952 1.000 0.536 CB 1.556 28 residues pruned to eliminate duplicates Z: 29 41.818 2.210 0.648 0.922 1.000 0.929 CB 1.526 29 residues pruned to eliminate duplicates Z: 23 50.154 2.260 1.076 0.953 1.000 0.864 CA 1.569 23 residues pruned to eliminate duplicates Z: 8 17.251 1.939 1.019 0.748 0.857 0.571 N 1.557 8 residues pruned to eliminate duplicates Z: 20 37.826 2.268 0.971 0.943 0.947 0.632 CB 1.419 20 residues pruned to eliminate duplicates Z: 21 36.305 2.235 1.041 0.893 0.900 0.450 CB 1.419 21 residues pruned to eliminate duplicates Z: 13 14.746 1.677 0.284 0.929 0.917 0.750 CB 1.510 6 residues pruned to eliminate duplicates Z: 20 45.340 2.259 1.061 0.939 1.000 0.947 CB 1.552 20 residues pruned to eliminate duplicates Z: 19 40.106 2.310 1.028 0.927 0.944 0.667 CB 1.496 19 residues pruned to eliminate duplicates Z: 8 13.394 1.845 0.576 0.800 1.000 0.857 CB 1.340 9 residues pruned to eliminate duplicates Z: 10 30.917 2.367 0.770 0.899 1.000 0.889 CA 1.759 10 residues pruned to eliminate duplicates Z: 9 16.270 1.873 0.725 0.848 1.000 0.625 CB 1.320 9 residues pruned to eliminate duplicates Z: 11 23.572 2.136 0.761 0.870 1.000 0.800 CA 1.446 11 residues pruned to eliminate duplicates Z: 21 30.251 2.227 0.944 0.874 0.850 0.650 CB 1.337 21 residues pruned to eliminate duplicates Z: 28 60.168 2.303 1.347 0.959 0.926 0.593 CB 1.586 29 residues pruned to eliminate duplicates Z: 20 34.600 2.251 0.859 0.931 0.947 0.842 CB 1.399 20 residues pruned to eliminate duplicates Z: 24 38.372 2.154 0.586 0.920 1.000 0.870 CA 1.648 24 residues pruned to eliminate duplicates Z: 10 23.418 2.256 0.881 0.837 1.000 0.667 CB 1.376 10 residues pruned to eliminate duplicates Z: 23 40.777 2.077 0.914 0.930 1.000 0.818 CB 1.530 23 residues pruned to eliminate duplicates Z: 10 23.121 2.196 0.715 0.797 1.000 0.667 CA 1.577 10 residues pruned to eliminate duplicates Z: 24 39.305 2.149 0.614 0.917 1.000 0.913 CA 1.668 24 residues pruned to eliminate duplicates Z: 23 54.143 2.306 1.092 0.946 1.000 0.727 CB 1.655 23 residues pruned to eliminate duplicates Z: 10 25.296 2.273 0.717 0.834 1.000 0.667 CA 1.620 10 residues pruned to eliminate duplicates Z: 28 58.093 2.305 1.050 0.954 1.000 0.704 CB 1.627 28 residues pruned to eliminate duplicates Z: 22 46.653 2.145 1.097 0.962 1.000 0.762 CA 1.549 22 residues pruned to eliminate duplicates Z: 23 37.326 2.241 0.643 0.938 0.955 0.864 CA 1.574 23 residues pruned to eliminate duplicates Z: 55 59.412 2.233 1.027 0.767 0.944 0.519 CB 1.493 54 residues pruned to eliminate duplicates Z: 17 28.718 2.241 0.703 0.942 1.000 0.938 CB 1.304 17 residues pruned to eliminate duplicates Z: 19 16.778 2.070 0.558 0.841 0.667 0.389 CB 1.372 19 residues pruned to eliminate duplicates Z: 7 13.378 1.841 0.738 0.756 1.000 0.667 CB 1.359 7 residues pruned to eliminate duplicates Z: 22 49.479 2.293 0.924 0.947 1.000 0.810 CB 1.690 22 residues pruned to eliminate duplicates Z: 23 48.086 2.216 0.862 0.949 1.000 0.727 CA 1.714 23 residues pruned to eliminate duplicates Z: 23 44.858 2.145 1.097 0.965 1.000 0.818 CB 1.451 23 residues pruned to eliminate duplicates Z: 107 94.673 2.306 1.093 0.748 0.953 0.613 CB 1.602 102 residues pruned to eliminate duplicates Z: 22 39.849 2.135 0.816 0.933 1.000 0.762 CB 1.565 22 residues pruned to eliminate duplicates Z: 20 37.752 2.248 1.072 0.950 1.000 0.737 CB 1.282 21 residues pruned to eliminate duplicates Z: 17 37.588 2.286 1.012 0.944 1.000 0.562 CB 1.415 17 residues pruned to eliminate duplicates Z: 9 20.647 2.238 0.980 0.690 1.000 0.625 CA 1.385 9 residues pruned to eliminate duplicates Z: 22 33.274 2.140 0.578 0.951 1.000 0.810 CB 1.482 22 residues pruned to eliminate duplicates Z: 21 35.276 2.207 0.856 0.895 1.000 0.600 CB 1.381 21 residues pruned to eliminate duplicates Z: 103 84.507 2.271 0.919 0.779 0.951 0.755 CB 1.579 97 residues pruned to eliminate duplicates Z: 28 57.708 2.290 1.209 0.948 0.963 0.556 CB 1.575 28 residues pruned to eliminate duplicates Z: 20 38.879 2.262 0.860 0.920 1.000 0.842 CB 1.493 20 residues pruned to eliminate duplicates Z: 20 40.340 2.242 1.064 0.940 0.947 0.632 CB 1.466 20 residues pruned to eliminate duplicates Z: 9 12.152 2.028 0.175 0.893 1.000 0.625 CB 1.294 9 residues pruned to eliminate duplicates Z: 21 30.602 2.189 0.805 0.918 1.000 0.600 CB 1.221 21 residues pruned to eliminate duplicates Z: 20 40.246 2.274 0.943 0.916 1.000 0.684 CB 1.475 20 residues pruned to eliminate duplicates Z: 22 36.398 2.140 0.944 0.954 1.000 0.667 CB 1.313 22 residues pruned to eliminate duplicates Z: 23 45.033 2.154 1.020 0.966 1.000 0.955 CB 1.505 23 residues pruned to eliminate duplicates Z: 8 16.066 2.074 0.428 0.867 0.857 0.714 CA 1.750 8 residues pruned to eliminate duplicates Z: 25 33.421 1.964 0.716 0.900 1.000 0.833 CB 1.446 25 residues pruned to eliminate duplicates Z: 22 47.440 2.163 1.074 0.961 1.000 0.571 CB 1.580 22 residues pruned to eliminate duplicates Z: 9 9.734 2.018 0.472 0.624 0.875 0.625 CA 1.178 9 residues pruned to eliminate duplicates Z: 21 41.500 2.200 1.023 0.930 1.000 0.500 CB 1.458 21 residues pruned to eliminate duplicates Z: 48 60.557 2.284 1.050 0.697 0.894 0.702 CB 1.764 48 residues pruned to eliminate duplicates Z: 24 44.373 2.190 0.832 0.924 1.000 0.870 CA 1.620 24 residues pruned to eliminate duplicates Z: 16 21.883 2.095 0.610 0.775 0.867 0.667 CB 1.516 16 residues pruned to eliminate duplicates Z: 32 55.094 2.209 1.154 0.782 1.000 0.710 CB 1.622 32 residues pruned to eliminate duplicates Z: 23 37.079 2.125 0.712 0.948 1.000 1.000 CB 1.500 23 residues pruned to eliminate duplicates Z: 22 40.017 2.134 0.896 0.953 1.000 1.000 CB 1.486 22 residues pruned to eliminate duplicates Z: 21 40.977 2.209 1.163 0.958 1.000 0.750 CB 1.315 21 residues pruned to eliminate duplicates Z: 23 49.250 2.257 1.193 0.917 0.955 0.500 CB 1.569 23 residues pruned to eliminate duplicates Z: 23 29.153 2.140 0.799 0.861 0.955 0.909 CB 1.243 23 residues pruned to eliminate duplicates Z: 23 46.402 2.099 1.113 0.959 1.000 0.591 CB 1.529 23 residues pruned to eliminate duplicates Z: 22 63.349 2.353 1.367 0.943 1.000 0.619 CA 1.720 23 residues pruned to eliminate duplicates Z: 29 55.618 2.215 1.195 0.955 1.000 0.321 CB 1.486 29 residues pruned to eliminate duplicates Z: 22 34.276 2.140 0.601 0.962 1.000 1.000 CB 1.493 22 residues pruned to eliminate duplicates Z: 20 31.101 2.232 0.502 0.931 1.000 0.947 CB 1.487 20 residues pruned to eliminate duplicates Z: 21 38.505 2.208 1.127 0.947 1.000 0.700 CB 1.267 20 residues pruned to eliminate duplicates Z: 28 61.080 2.261 1.233 0.963 1.000 0.333 CB 1.591 28 residues pruned to eliminate duplicates Z: 15 21.166 1.910 0.726 0.838 1.000 0.357 CB 1.283 15 residues pruned to eliminate duplicates Z: 9 12.581 1.955 0.935 0.832 0.875 0.875 CA 1.009 9 residues pruned to eliminate duplicates Z: 23 37.784 2.238 0.501 0.940 1.000 0.955 CA 1.665 23 residues pruned to eliminate duplicates Z: 17 24.804 1.952 0.890 0.779 1.000 0.688 CB 1.315 17 residues pruned to eliminate duplicates Z: 9 9.960 1.939 0.329 0.845 0.750 0.250 CB 1.355 Z: 20 32.263 2.217 0.793 0.946 1.000 0.895 CB 1.287 20 residues pruned to eliminate duplicates Z: 39 40.713 2.119 0.854 0.670 0.921 0.553 CB 1.560 39 residues pruned to eliminate duplicates Z: 19 37.029 2.294 0.899 0.947 1.000 0.556 CB 1.385 19 residues pruned to eliminate duplicates Z: 29 42.732 2.154 0.836 0.912 1.000 0.750 CB 1.447 29 residues pruned to eliminate duplicates Z: 23 48.631 2.238 0.888 0.944 1.000 0.909 CB 1.698 23 residues pruned to eliminate duplicates Z: 23 29.129 2.062 0.789 0.945 1.000 0.909 CB 1.166 23 residues pruned to eliminate duplicates Z: 21 20.466 2.088 0.395 0.915 1.000 0.900 CB 1.110 21 residues pruned to eliminate duplicates Z: 30 44.750 2.206 0.888 0.886 0.966 0.586 CB 1.491 30 residues pruned to eliminate duplicates Z: 22 36.342 2.131 1.075 0.932 0.952 0.714 CB 1.315 22 residues pruned to eliminate duplicates Z: 24 38.558 2.083 1.058 0.780 1.000 0.652 CB 1.465 24 residues pruned to eliminate duplicates Z: 14 19.153 2.186 0.858 0.638 0.846 0.769 CA 1.359 14 residues pruned to eliminate duplicates Z: 6 10.312 2.173 0.305 0.592 1.000 0.200 CB 1.489 6 residues pruned to eliminate duplicates Z: 16 17.977 1.864 0.404 0.845 0.867 0.600 CB 1.521 16 residues pruned to eliminate duplicates Z: 10 13.451 1.629 0.573 0.787 1.000 0.778 CB 1.359 10 residues pruned to eliminate duplicates Z: 9 16.132 2.191 0.579 0.713 1.000 0.625 CA 1.359 9 residues pruned to eliminate duplicates Z: 11 20.491 2.154 0.615 0.855 1.000 0.800 CB 1.376 11 residues pruned to eliminate duplicates Z: 33 50.768 2.184 1.102 0.767 0.969 0.625 CB 1.592 33 residues pruned to eliminate duplicates Z: 23 49.165 2.144 1.210 0.965 1.000 0.818 CB 1.510 23 residues pruned to eliminate duplicates Z: 20 36.729 2.238 1.033 0.955 1.000 0.632 CB 1.273 20 residues pruned to eliminate duplicates Z: 55 60.419 2.249 0.872 0.723 0.963 0.815 CB 1.658 55 residues pruned to eliminate duplicates Z: 21 33.590 2.256 0.726 0.898 0.950 0.650 CB 1.453 21 residues pruned to eliminate duplicates Z: 22 35.114 2.209 0.770 0.893 0.857 0.476 CB 1.642 22 residues pruned to eliminate duplicates Z: 8 16.476 2.218 0.507 0.888 1.000 1.000 CA 1.342 8 residues pruned to eliminate duplicates Z: 106 88.189 2.272 1.033 0.716 0.971 0.629 CB 1.577 106 residues pruned to eliminate duplicates Z: 15 21.431 2.051 0.478 0.915 1.000 0.929 CB 1.335 15 residues pruned to eliminate duplicates Z: 22 37.514 2.152 0.639 0.962 1.000 1.000 CA 1.587 22 residues pruned to eliminate duplicates Z: 41 60.791 2.339 0.908 0.759 0.975 0.800 CA 1.755 41 residues pruned to eliminate duplicates Z: 45 48.631 2.286 0.925 0.643 0.909 0.614 CB 1.603 45 residues pruned to eliminate duplicates Z: 6 5.394 1.415 0.127 0.843 1.000 1.000 N 1.127 6 residues pruned to eliminate duplicates Z: 13 20.376 2.070 0.742 0.851 1.000 0.417 CB 1.208 13 residues pruned to eliminate duplicates Z: 30 33.079 2.335 0.698 0.505 0.897 0.552 CB 1.720 30 residues pruned to eliminate duplicates Z: 23 32.146 2.090 0.638 0.942 1.000 0.818 CB 1.389 23 residues pruned to eliminate duplicates Z: 16 22.252 1.937 0.660 0.864 0.800 0.333 CB 1.638 16 residues pruned to eliminate duplicates Z: 35 31.141 2.204 0.720 0.535 0.853 0.529 CB 1.596 35 residues pruned to eliminate duplicates Z: 12 7.350 1.642 0.590 0.337 0.727 0.364 O 1.394 12 residues pruned to eliminate duplicates Z: 21 38.124 2.182 1.027 0.883 0.950 0.550 CB 1.467 21 residues pruned to eliminate duplicates 6 1.370 1.308 0.852 0.462 0.800 0.600 CB 0.329 ? Z: 23 59.860 2.299 1.184 0.953 1.000 0.909 CA 1.749 23 residues pruned to eliminate duplicates Z: 11 16.552 1.935 0.464 0.889 1.000 1.000 CA 1.330 11 residues pruned to eliminate duplicates Z: 29 43.173 2.226 0.564 0.950 1.000 0.964 CB 1.616 29 residues pruned to eliminate duplicates Z: 7 7.106 1.724 0.435 0.731 1.000 0.333 CB 0.953 7 residues pruned to eliminate duplicates 6 1.421 1.338 0.064 0.284 0.600 0.400 C 0.950 ? Z: 22 50.246 2.309 1.125 0.930 0.952 0.571 CB 1.641 22 residues pruned to eliminate duplicates Z: 18 34.861 2.265 0.779 0.925 1.000 0.824 CB 1.472 18 residues pruned to eliminate duplicates Z: 40 46.044 2.300 0.974 0.624 0.923 0.667 CB 1.565 40 residues pruned to eliminate duplicates Z: 19 25.583 2.109 0.877 0.603 0.889 0.389 CA 1.554 19 residues pruned to eliminate duplicates Z: 10 18.310 2.357 0.849 0.364 1.000 0.778 CB 1.620 10 residues pruned to eliminate duplicates Z: 22 38.355 2.198 0.668 0.928 1.000 0.667 CB 1.599 22 residues pruned to eliminate duplicates Z: 28 47.698 2.253 0.951 0.937 0.963 0.778 CB 1.509 28 residues pruned to eliminate duplicates Z: 14 22.339 2.145 0.977 0.794 0.923 0.538 CB 1.223 14 residues pruned to eliminate duplicates Z: 18 27.805 2.104 0.729 0.770 1.000 0.706 CA 1.460 18 residues pruned to eliminate duplicates Z: 71 63.215 2.206 1.038 0.734 0.914 0.400 CB 1.489 71 residues pruned to eliminate duplicates Z: 7 8.300 1.864 0.292 0.686 1.000 1.000 CA 1.187 16 residues pruned to eliminate duplicates Z: 51 61.677 2.239 0.909 0.806 0.980 0.780 CB 1.594 51 residues pruned to eliminate duplicates Z: 17 15.094 2.032 0.555 0.513 0.875 0.625 CB 1.348 17 residues pruned to eliminate duplicates Z: 42 50.833 2.180 1.087 0.667 0.951 0.488 CB 1.572 42 residues pruned to eliminate duplicates Z: 6 10.705 2.318 0.499 0.778 0.800 0.400 CB 1.348 6 residues pruned to eliminate duplicates Z: 8 13.241 2.020 0.852 0.753 0.857 0.714 CA 1.246 8 residues pruned to eliminate duplicates 6 1.186 1.357 -0.048 0.295 0.600 0.400 C 0.860 ? Z: 104 78.572 2.218 0.960 0.718 0.961 0.583 CB 1.521 104 residues pruned to eliminate duplicates Z: 41 45.333 2.178 0.834 0.762 0.975 0.625 CB 1.459 41 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 20 29.155 2.255 0.744 0.935 0.947 0.947 CB 1.251 20 residues pruned to eliminate duplicates Z: 25 23.349 2.010 0.799 0.800 0.875 0.750 CB 1.158 25 residues pruned to eliminate duplicates Z: 24 31.907 2.120 0.941 0.833 0.957 0.783 CB 1.268 24 residues pruned to eliminate duplicates Z: 20 34.652 2.188 1.027 0.948 1.000 0.737 CB 1.238 20 residues pruned to eliminate duplicates Z: 24 28.053 2.118 0.818 0.831 0.957 0.696 CB 1.193 24 residues pruned to eliminate duplicates Z: 24 28.648 2.101 1.039 0.779 0.913 0.522 CB 1.194 24 residues pruned to eliminate duplicates Z: 25 31.082 2.090 0.991 0.787 0.958 0.708 CB 1.236 25 residues pruned to eliminate duplicates Z: 24 32.422 2.102 1.030 0.816 0.957 0.739 CB 1.258 24 residues pruned to eliminate duplicates Z: 24 31.144 2.105 1.024 0.830 0.957 0.696 CB 1.198 24 residues pruned to eliminate duplicates Z: 23 32.232 2.156 1.035 0.821 0.955 0.682 CB 1.242 23 residues pruned to eliminate duplicates Z: 24 30.154 2.107 1.058 0.781 0.913 0.565 CB 1.240 24 residues pruned to eliminate duplicates Z: 26 31.245 2.041 1.039 0.765 0.960 0.560 CB 1.236 26 residues pruned to eliminate duplicates Z: 24 33.512 2.112 1.155 0.783 0.957 0.609 CB 1.251 24 residues pruned to eliminate duplicates Z: 24 29.695 2.096 1.044 0.785 0.913 0.739 CB 1.232 24 residues pruned to eliminate duplicates Z: 23 36.658 2.167 1.205 0.816 0.955 0.818 CB 1.302 21 residues pruned to eliminate duplicates Z: 20 38.435 2.239 1.103 0.957 1.000 0.526 CB 1.286 20 residues pruned to eliminate duplicates Z: 24 33.092 2.123 1.098 0.825 0.913 0.696 CB 1.280 24 residues pruned to eliminate duplicates Z: 25 27.877 2.068 1.022 0.745 0.917 0.792 CB 1.192 25 residues pruned to eliminate duplicates Z: 24 30.322 2.114 0.974 0.828 0.913 0.783 CB 1.250 24 residues pruned to eliminate duplicates Z: 23 29.542 2.077 0.875 0.910 0.955 0.727 CB 1.202 23 residues pruned to eliminate duplicates Z: 25 38.908 2.058 0.931 0.844 1.000 0.875 CB 1.487 25 residues pruned to eliminate duplicates Z: 112 86.097 2.255 0.828 0.762 0.955 0.802 CB 1.646 112 residues pruned to eliminate duplicates Z: 25 40.186 2.089 1.002 0.856 0.958 0.792 CB 1.509 25 residues pruned to eliminate duplicates Z: 23 42.308 2.147 0.918 0.966 1.000 0.909 CB 1.494 23 residues pruned to eliminate duplicates Z: 23 41.564 2.137 0.952 0.957 1.000 0.773 CB 1.457 23 residues pruned to eliminate duplicates Z: 105 82.656 2.274 0.951 0.774 0.904 0.731 CB 1.586 105 residues pruned to eliminate duplicates Z: 24 39.857 2.086 0.916 0.918 1.000 0.783 CA 1.466 24 residues pruned to eliminate duplicates Z: 69 68.239 2.215 0.999 0.765 0.956 0.618 CB 1.546 31 residues pruned to eliminate duplicates Z: 24 44.177 2.073 1.083 0.931 1.000 0.783 CB 1.491 24 residues pruned to eliminate duplicates Z: 24 42.158 2.126 1.072 0.923 0.957 0.783 CB 1.466 24 residues pruned to eliminate duplicates Z: 26 39.255 2.031 0.991 0.832 1.000 0.800 CB 1.458 26 residues pruned to eliminate duplicates Z: 60 59.861 2.152 1.065 0.790 0.915 0.627 CB 1.486 60 residues pruned to eliminate duplicates Z: 24 45.258 2.096 1.070 0.924 1.000 0.826 CA 1.528 24 residues pruned to eliminate duplicates Z: 25 38.104 2.085 0.987 0.877 0.958 0.792 CA 1.423 25 residues pruned to eliminate duplicates Z: 25 39.891 2.066 0.972 0.862 1.000 0.708 CA 1.468 25 residues pruned to eliminate duplicates Z: 30 35.179 1.966 1.018 0.785 0.931 0.586 CB 1.376 30 residues pruned to eliminate duplicates Z: 23 42.338 2.106 1.198 0.912 1.000 0.500 CB 1.381 23 residues pruned to eliminate duplicates Z: 23 49.548 2.134 1.342 0.955 1.000 0.545 CB 1.452 23 residues pruned to eliminate duplicates Z: 76 72.551 2.192 0.960 0.737 0.973 0.747 CB 1.619 76 residues pruned to eliminate duplicates Z: 23 46.925 2.124 1.295 0.921 0.955 0.773 CB 1.513 23 residues pruned to eliminate duplicates Z: 25 40.115 2.043 1.122 0.854 0.958 0.750 CB 1.456 25 residues pruned to eliminate duplicates Z: 56 63.318 2.296 0.925 0.717 0.964 0.800 CB 1.648 56 residues pruned to eliminate duplicates Z: 85 75.100 2.287 0.911 0.729 0.964 0.738 CB 1.582 85 residues pruned to eliminate duplicates Z: 61 60.574 2.234 0.964 0.660 0.950 0.717 CB 1.617 61 residues pruned to eliminate duplicates Z: 82 73.219 2.309 0.847 0.726 0.963 0.790 CB 1.616 82 residues pruned to eliminate duplicates Z: 106 91.200 2.280 1.020 0.764 0.962 0.686 CB 1.589 106 residues pruned to eliminate duplicates Z: 83 69.653 2.290 0.881 0.729 0.915 0.744 CB 1.588 83 residues pruned to eliminate duplicates Z: 57 62.649 2.284 0.932 0.693 0.982 0.750 CB 1.620 57 residues pruned to eliminate duplicates Z: 78 72.629 2.239 0.945 0.729 0.961 0.636 CB 1.609 78 residues pruned to eliminate duplicates Z: 155 103.812 2.280 0.895 0.746 0.948 0.747 CB 1.639 155 residues pruned to eliminate duplicates Z: 52 55.945 2.275 0.879 0.665 1.000 0.725 CB 1.574 52 residues pruned to eliminate duplicates Z: 78 57.692 2.138 0.886 0.677 0.896 0.649 CB 1.546 78 residues pruned to eliminate duplicates Z: 80 74.998 2.316 0.913 0.732 0.949 0.785 CB 1.629 80 residues pruned to eliminate duplicates Z: 19 23.418 2.194 0.800 0.490 0.889 0.611 CB 1.588 19 residues pruned to eliminate duplicates Z: 53 66.516 2.345 0.935 0.732 0.981 0.769 CB 1.682 53 residues pruned to eliminate duplicates Z: 77 75.519 2.263 1.013 0.781 0.934 0.684 CB 1.589 77 residues pruned to eliminate duplicates Z: 87 71.426 2.270 0.840 0.705 0.953 0.640 CB 1.605 87 residues pruned to eliminate duplicates Z: 53 68.126 2.354 0.966 0.726 0.981 0.788 CB 1.697 53 residues pruned to eliminate duplicates Z: 77 76.359 2.267 0.992 0.770 0.947 0.711 CB 1.612 77 residues pruned to eliminate duplicates Z: 82 74.318 2.300 0.950 0.733 0.914 0.753 CB 1.635 82 residues pruned to eliminate duplicates Z: 72 75.109 2.265 1.067 0.723 0.958 0.620 CB 1.626 72 residues pruned to eliminate duplicates Z: 54 63.123 2.296 0.917 0.703 0.981 0.717 CB 1.669 54 residues pruned to eliminate duplicates Z: 70 68.238 2.271 0.914 0.733 0.957 0.768 CB 1.603 70 residues pruned to eliminate duplicates Z: 81 70.501 2.308 0.913 0.716 0.900 0.750 CB 1.631 81 residues pruned to eliminate duplicates Z: 90 77.368 2.271 0.909 0.695 0.966 0.697 CB 1.638 90 residues pruned to eliminate duplicates Z: 80 75.539 2.314 0.887 0.727 0.975 0.747 CB 1.627 80 residues pruned to eliminate duplicates Z: 78 74.697 2.238 1.009 0.759 0.961 0.662 CB 1.564 78 residues pruned to eliminate duplicates Z: 96 76.975 2.262 0.890 0.736 0.947 0.674 CB 1.577 96 residues pruned to eliminate duplicates Z: 43 57.971 2.263 0.973 0.713 0.976 0.810 CB 1.693 43 residues pruned to eliminate duplicates Z: 91 69.489 2.268 0.784 0.722 0.944 0.667 CB 1.569 91 residues pruned to eliminate duplicates Z: 37 45.443 2.191 0.961 0.688 0.944 0.611 CB 1.571 37 residues pruned to eliminate duplicates Z: 74 59.641 2.250 0.816 0.726 0.890 0.644 CB 1.565 74 residues pruned to eliminate duplicates Z: 71 69.069 2.289 0.878 0.767 0.929 0.614 CB 1.633 71 residues pruned to eliminate duplicates Z: 65 70.551 2.307 0.951 0.785 0.969 0.734 CB 1.573 65 residues pruned to eliminate duplicates Z: 72 74.852 2.269 0.996 0.755 0.958 0.577 CB 1.633 72 residues pruned to eliminate duplicates Z: 82 68.250 2.238 0.868 0.690 0.951 0.679 CB 1.604 82 residues pruned to eliminate duplicates Z: 82 78.412 2.304 1.046 0.747 0.938 0.704 CB 1.579 82 residues pruned to eliminate duplicates Z: 108 80.560 2.247 1.003 0.744 0.897 0.579 CB 1.551 108 residues pruned to eliminate duplicates Z: 42 52.888 2.209 0.974 0.761 0.951 0.634 CB 1.579 42 residues pruned to eliminate duplicates Z: 67 71.028 2.268 1.055 0.750 0.939 0.591 CB 1.598 67 residues pruned to eliminate duplicates Z: 90 79.079 2.277 0.924 0.743 0.955 0.596 CB 1.612 90 residues pruned to eliminate duplicates Z: 103 73.513 2.233 0.951 0.735 0.882 0.510 CB 1.534 103 residues pruned to eliminate duplicates Z: 151 103.979 2.285 1.039 0.720 0.933 0.607 CB 1.600 151 residues pruned to eliminate duplicates Z: 36 60.604 2.322 1.123 0.829 0.943 0.657 CB 1.658 36 residues pruned to eliminate duplicates Z: 81 72.441 2.271 1.005 0.725 0.925 0.588 CB 1.570 81 residues pruned to eliminate duplicates Z: 57 65.246 2.264 1.112 0.706 0.946 0.571 CB 1.597 57 residues pruned to eliminate duplicates Z: 82 69.987 2.171 1.099 0.720 0.938 0.457 CB 1.491 82 residues pruned to eliminate duplicates Z: 90 76.127 2.271 0.937 0.734 0.933 0.562 CB 1.594 90 residues pruned to eliminate duplicates Z: 63 75.409 2.316 1.099 0.792 0.952 0.581 CB 1.602 63 residues pruned to eliminate duplicates Z: 85 69.672 2.288 0.919 0.706 0.893 0.595 CB 1.607 85 residues pruned to eliminate duplicates Z: 55 68.323 2.297 1.096 0.727 0.963 0.574 CB 1.635 55 residues pruned to eliminate duplicates Z: 58 65.958 2.268 1.066 0.718 0.947 0.614 CB 1.616 58 residues pruned to eliminate duplicates Z: 108 81.128 2.248 0.946 0.730 0.907 0.626 CB 1.608 108 residues pruned to eliminate duplicates Z: 83 77.201 2.292 0.999 0.733 0.939 0.585 CB 1.607 83 residues pruned to eliminate duplicates Z: 105 85.505 2.243 1.052 0.727 0.952 0.606 CB 1.559 105 residues pruned to eliminate duplicates Z: 90 73.442 2.238 1.006 0.687 0.944 0.483 CB 1.547 90 residues pruned to eliminate duplicates Z: 112 89.144 2.247 0.960 0.763 0.973 0.703 CB 1.564 112 residues pruned to eliminate duplicates Z: 89 74.961 2.263 0.907 0.738 0.943 0.659 CB 1.586 89 residues pruned to eliminate duplicates Z: 32 34.861 2.233 0.635 0.742 0.935 0.645 CB 1.477 32 residues pruned to eliminate duplicates Z: 98 86.009 2.271 1.013 0.771 0.959 0.649 CB 1.567 98 residues pruned to eliminate duplicates Z: 85 77.436 2.284 1.001 0.731 0.964 0.726 CB 1.557 85 residues pruned to eliminate duplicates Z: 85 80.679 2.301 0.973 0.740 0.964 0.655 CB 1.622 85 residues pruned to eliminate duplicates Z: 70 69.978 2.299 0.920 0.763 0.942 0.623 CB 1.604 70 residues pruned to eliminate duplicates Z: 90 76.815 2.284 0.897 0.727 0.955 0.618 CB 1.604 90 residues pruned to eliminate duplicates Z: 133 96.397 2.310 0.953 0.722 0.939 0.659 CB 1.620 133 residues pruned to eliminate duplicates Z: 104 77.528 2.221 0.971 0.739 0.932 0.515 CB 1.511 104 residues pruned to eliminate duplicates Z: 65 65.058 2.249 0.975 0.755 0.938 0.531 CB 1.555 65 residues pruned to eliminate duplicates Z: 83 79.567 2.308 1.008 0.737 0.963 0.598 CB 1.590 83 residues pruned to eliminate duplicates Z: 38 44.814 2.211 0.970 0.703 0.946 0.568 CB 1.486 38 residues pruned to eliminate duplicates Z: 87 72.459 2.276 0.903 0.723 0.942 0.547 CB 1.567 87 residues pruned to eliminate duplicates Z: 90 76.979 2.297 0.973 0.703 0.933 0.584 CB 1.606 90 residues pruned to eliminate duplicates Z: 81 73.650 2.294 0.954 0.727 0.950 0.663 CB 1.576 81 residues pruned to eliminate duplicates Z: 89 70.682 2.263 0.837 0.719 0.955 0.648 CB 1.559 89 residues pruned to eliminate duplicates Z: 33 36.036 2.199 0.849 0.705 0.938 0.656 CB 1.387 33 residues pruned to eliminate duplicates Z: 85 70.031 2.274 0.835 0.712 0.964 0.702 CB 1.567 85 residues pruned to eliminate duplicates Z: 90 77.986 2.251 0.986 0.721 0.944 0.528 CB 1.606 90 residues pruned to eliminate duplicates Z: 33 40.324 2.176 0.887 0.718 0.969 0.625 CB 1.472 33 residues pruned to eliminate duplicates Z: 32 39.573 2.214 0.856 0.696 0.968 0.645 CB 1.494 32 residues pruned to eliminate duplicates Z: 39 43.848 2.189 0.825 0.723 0.947 0.579 CB 1.537 39 residues pruned to eliminate duplicates Z: 33 38.113 2.186 0.898 0.677 0.938 0.500 CB 1.472 33 residues pruned to eliminate duplicates Z: 85 72.644 2.286 0.906 0.714 0.964 0.631 CB 1.554 85 residues pruned to eliminate duplicates Z: 85 78.960 2.302 0.962 0.731 0.964 0.631 CB 1.607 85 residues pruned to eliminate duplicates Z: 72 68.617 2.244 0.895 0.764 0.972 0.606 CB 1.559 72 residues pruned to eliminate duplicates Z: 70 68.322 2.250 0.935 0.752 0.971 0.609 CB 1.554 70 residues pruned to eliminate duplicates Z: 132 101.221 2.308 1.049 0.731 0.931 0.626 CB 1.631 132 residues pruned to eliminate duplicates Z: 73 66.089 2.268 0.978 0.741 0.889 0.556 CB 1.574 73 residues pruned to eliminate duplicates Z: 50 51.571 2.292 0.760 0.669 0.918 0.633 CA 1.701 50 residues pruned to eliminate duplicates Z: 46 47.461 2.262 0.838 0.651 0.911 0.711 CA 1.622 46 residues pruned to eliminate duplicates Z: 51 49.373 2.235 0.850 0.610 0.920 0.700 CB 1.653 51 residues pruned to eliminate duplicates Z: 42 54.887 2.268 0.880 0.738 0.976 0.756 CA 1.665 42 residues pruned to eliminate duplicates Z: 114 82.111 2.273 0.821 0.733 0.929 0.646 CB 1.629 114 residues pruned to eliminate duplicates Z: 58 65.455 2.263 1.007 0.749 0.947 0.807 CB 1.612 58 residues pruned to eliminate duplicates Z: 47 51.779 2.279 1.028 0.663 0.870 0.609 CB 1.633 47 residues pruned to eliminate duplicates Z: 42 54.058 2.304 0.903 0.718 0.951 0.732 CA 1.662 42 residues pruned to eliminate duplicates Z: 146 100.035 2.265 0.974 0.705 0.972 0.676 CB 1.586 146 residues pruned to eliminate duplicates Z: 46 53.685 2.312 0.860 0.645 0.956 0.689 CA 1.700 46 residues pruned to eliminate duplicates Z: 129 92.718 2.307 0.968 0.707 0.930 0.656 CB 1.608 129 residues pruned to eliminate duplicates Z: 43 52.564 2.298 0.744 0.743 0.976 0.786 CB 1.668 43 residues pruned to eliminate duplicates Z: 40 49.104 2.279 0.982 0.610 0.949 0.667 CB 1.654 40 residues pruned to eliminate duplicates Z: 41 48.376 2.285 0.944 0.639 0.950 0.625 CB 1.591 41 residues pruned to eliminate duplicates Z: 49 56.251 2.285 1.032 0.629 0.958 0.729 CB 1.616 49 residues pruned to eliminate duplicates Z: 42 47.704 2.264 1.029 0.651 0.878 0.634 CB 1.605 42 residues pruned to eliminate duplicates Z: 78 70.935 2.247 1.013 0.688 0.935 0.701 CB 1.609 78 residues pruned to eliminate duplicates Z: 41 65.626 2.366 1.159 0.746 0.925 0.850 CB 1.762 41 residues pruned to eliminate duplicates Z: 50 59.145 2.259 1.089 0.633 0.959 0.551 CB 1.649 50 residues pruned to eliminate duplicates Z: 149 100.459 2.251 1.031 0.728 0.946 0.581 CB 1.555 149 residues pruned to eliminate duplicates Z: 127 96.293 2.284 1.056 0.712 0.952 0.611 CB 1.583 127 residues pruned to eliminate duplicates Z: 43 65.803 2.346 1.217 0.740 0.976 0.690 CB 1.613 43 residues pruned to eliminate duplicates Z: 40 70.072 2.380 1.201 0.748 1.000 0.487 CB 1.716 40 residues pruned to eliminate duplicates Z: 55 60.351 2.230 1.047 0.704 0.944 0.667 CB 1.582 55 residues pruned to eliminate duplicates Z: 60 66.002 2.216 1.168 0.684 0.915 0.492 CB 1.651 60 residues pruned to eliminate duplicates Z: 137 101.235 2.284 1.032 0.719 0.963 0.669 CB 1.594 140 residues pruned to eliminate duplicates Z: 6 9.066 2.109 0.535 0.382 1.000 0.400 CB 1.419 6 residues pruned to eliminate duplicates Z: 50 52.077 2.215 1.032 0.635 0.918 0.592 CB 1.586 50 residues pruned to eliminate duplicates Z: 18 25.716 2.258 0.873 0.551 0.941 0.647 CA 1.490 18 residues pruned to eliminate duplicates Z: 42 61.662 2.320 1.156 0.711 0.951 0.585 CB 1.671 42 residues pruned to eliminate duplicates Z: 52 62.640 2.280 1.144 0.693 0.941 0.627 CB 1.598 52 residues pruned to eliminate duplicates Z: 53 57.569 2.233 1.020 0.696 0.942 0.615 CB 1.570 52 residues pruned to eliminate duplicates Z: 22 47.047 2.320 0.960 0.946 0.952 0.857 CA 1.639 23 residues pruned to eliminate duplicates Z: 13 25.174 2.033 0.822 0.908 1.000 0.583 CB 1.394 13 residues pruned to eliminate duplicates Z: 50 63.936 2.296 1.192 0.639 0.939 0.673 CB 1.697 50 residues pruned to eliminate duplicates Z: 50 56.080 2.212 1.104 0.684 0.918 0.592 CB 1.583 50 residues pruned to eliminate duplicates Z: 107 88.495 2.278 1.071 0.754 0.934 0.670 CB 1.556 107 residues pruned to eliminate duplicates Z: 39 58.361 2.307 1.161 0.729 0.947 0.500 CB 1.631 39 residues pruned to eliminate duplicates Z: 42 66.182 2.320 1.162 0.766 0.976 0.732 CB 1.668 42 residues pruned to eliminate duplicates Z: 12 30.699 2.171 1.315 0.813 0.909 0.727 CA 1.544 12 residues pruned to eliminate duplicates Z: 11 17.218 1.962 0.614 0.859 1.000 0.800 CA 1.266 11 residues pruned to eliminate duplicates Z: 22 61.939 2.372 1.320 0.961 1.000 0.667 CB 1.681 22 residues pruned to eliminate duplicates Z: 12 24.865 2.094 1.139 0.749 0.909 0.636 CA 1.474 12 residues pruned to eliminate duplicates Z: 54 70.122 2.278 1.213 0.794 0.943 0.642 CB 1.565 54 residues pruned to eliminate duplicates Z: 13 22.268 2.054 1.187 0.769 0.750 0.583 CA 1.504 13 residues pruned to eliminate duplicates Z: 51 63.366 2.295 1.133 0.708 0.920 0.480 CB 1.647 51 residues pruned to eliminate duplicates Z: 122 103.198 2.282 1.142 0.784 0.950 0.545 CB 1.573 122 residues pruned to eliminate duplicates Z: 13 25.811 1.976 1.240 0.775 0.917 0.750 CB 1.441 13 residues pruned to eliminate duplicates 185 residues left after pruning, divided into chains as follows: A: 24 B: 161 CC for partial structure against native data = 46.91 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.455, Connect. = 0.771 for dens.mod. cycle 1 = 0.300, Contrast = 0.517, Connect. = 0.793 for dens.mod. cycle 2 = 0.300, Contrast = 0.612, Connect. = 0.812 for dens.mod. cycle 3 = 0.300, Contrast = 0.620, Connect. = 0.813 for dens.mod. cycle 4 = 0.300, Contrast = 0.630, Connect. = 0.814 for dens.mod. cycle 5 = 0.300, Contrast = 0.634, Connect. = 0.815 for dens.mod. cycle 6 = 0.300, Contrast = 0.638, Connect. = 0.816 for dens.mod. cycle 7 = 0.300, Contrast = 0.640, Connect. = 0.816 for dens.mod. cycle 8 = 0.300, Contrast = 0.642, Connect. = 0.817 for dens.mod. cycle 9 = 0.300, Contrast = 0.643, Connect. = 0.817 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1254 peaks > 0.5 sigma used to seed fragment search Space for about 244 unique residues taking solvent into account 258 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 37.571 2.250 1.083 0.862 0.895 0.579 CB 1.510 B: 23 57.175 2.259 1.423 0.946 0.955 0.409 CB 1.614 C: 22 55.212 2.338 1.131 0.948 0.952 0.667 CB 1.754 22 residues pruned to eliminate duplicates D: 28 40.613 2.257 0.882 0.905 0.889 0.630 CB 1.473 E: 12 31.012 2.129 1.161 0.888 0.909 0.727 CB 1.611 F: 22 59.538 2.327 1.190 0.951 1.000 0.810 CB 1.757 22 residues pruned to eliminate duplicates G: 27 51.645 2.335 0.867 0.954 1.000 0.769 CB 1.597 28 residues pruned to eliminate duplicates H: 21 34.089 2.210 0.812 0.942 1.000 0.550 CB 1.319 I: 30 45.896 2.220 0.961 0.884 0.966 0.655 CB 1.465 28 residues pruned to eliminate duplicates J: 20 36.209 2.268 0.928 0.946 1.000 0.789 CB 1.314 21 residues pruned to eliminate duplicates K: 23 53.585 2.261 1.141 0.941 1.000 0.864 CB 1.637 23 residues pruned to eliminate duplicates L: 28 57.201 2.323 0.993 0.959 1.000 0.815 CB 1.630 29 residues pruned to eliminate duplicates M: 21 38.238 2.134 0.996 0.944 1.000 0.650 CB 1.391 20 residues pruned to eliminate duplicates N: 89 73.703 2.271 0.826 0.698 0.977 0.716 CB 1.619 49 residues pruned to eliminate duplicates O: 12 24.323 1.973 0.727 0.791 1.000 0.545 CA 1.668 14 residues pruned to eliminate duplicates P: 29 49.060 2.290 0.732 0.932 1.000 0.929 CB 1.632 29 residues pruned to eliminate duplicates Q: 22 49.769 2.307 0.833 0.949 1.000 0.952 CB 1.773 22 residues pruned to eliminate duplicates R: 8 14.012 2.318 0.162 0.684 1.000 0.571 CB 1.660 8 residues pruned to eliminate duplicates S: 23 54.876 2.237 1.345 0.944 0.955 0.364 CB 1.618 23 residues pruned to eliminate duplicates T: 10 14.278 2.078 0.352 0.699 0.778 0.333 CB 1.817 10 residues pruned to eliminate duplicates U: 22 27.321 2.150 0.698 0.915 0.952 0.714 CB 1.211 21 residues pruned to eliminate duplicates V: 22 27.456 2.198 0.606 0.829 0.905 0.762 CB 1.412 22 residues pruned to eliminate duplicates W: 28 50.739 2.303 0.874 0.953 0.963 0.630 CB 1.618 28 residues pruned to eliminate duplicates X: 20 33.010 2.255 0.692 0.896 0.947 0.737 CB 1.501 20 residues pruned to eliminate duplicates Y: 21 36.659 2.186 0.920 0.893 1.000 0.700 CB 1.402 21 residues pruned to eliminate duplicates Z: 10 20.712 2.200 0.647 0.893 1.000 1.000 CB 1.368 10 residues pruned to eliminate duplicates Z: 11 22.277 2.119 0.636 0.864 1.000 0.900 CA 1.490 11 residues pruned to eliminate duplicates Z: 28 55.501 2.307 1.111 0.961 0.963 0.556 CB 1.559 28 residues pruned to eliminate duplicates Z: 27 44.159 2.297 0.960 0.940 0.885 0.500 CB 1.510 27 residues pruned to eliminate duplicates Z: 28 51.217 2.327 0.913 0.941 0.963 0.815 CB 1.596 28 residues pruned to eliminate duplicates Z: 27 40.696 2.315 0.480 0.954 1.000 0.923 CB 1.602 27 residues pruned to eliminate duplicates Z: 11 24.980 2.066 0.904 0.921 1.000 0.800 CB 1.413 Z: 28 48.038 2.299 0.695 0.956 1.000 0.926 CB 1.630 28 residues pruned to eliminate duplicates Z: 9 17.786 2.209 0.586 0.690 1.000 0.625 CA 1.508 9 residues pruned to eliminate duplicates Z: 11 32.528 2.281 1.285 0.826 0.900 0.600 CA 1.653 12 residues pruned to eliminate duplicates Z: 24 34.575 2.149 0.599 0.920 1.000 0.913 CA 1.477 22 residues pruned to eliminate duplicates Z: 28 48.801 2.291 0.767 0.927 1.000 0.815 CB 1.625 28 residues pruned to eliminate duplicates Z: 8 10.714 2.232 0.195 0.703 0.857 0.714 CA 1.472 8 residues pruned to eliminate duplicates Z: 9 15.780 1.907 0.730 0.674 0.875 0.750 CA 1.646 9 residues pruned to eliminate duplicates Z: 22 56.316 2.359 0.993 0.951 1.000 0.810 CB 1.801 22 residues pruned to eliminate duplicates Z: 23 46.939 2.153 1.034 0.960 1.000 0.955 CB 1.565 3 residues pruned to eliminate duplicates Z: 24 47.237 2.195 0.874 0.953 1.000 0.957 CB 1.648 23 residues pruned to eliminate duplicates Z: 12 30.235 2.119 1.135 0.861 0.909 0.727 CB 1.628 12 residues pruned to eliminate duplicates Z: 23 51.361 2.301 1.048 0.946 1.000 0.909 CA 1.607 24 residues pruned to eliminate duplicates Z: 11 16.599 2.076 0.623 0.749 0.900 0.800 CA 1.386 11 residues pruned to eliminate duplicates Z: 23 46.061 2.154 1.096 0.955 1.000 0.818 CB 1.494 23 residues pruned to eliminate duplicates Z: 29 57.786 2.268 1.229 0.933 0.964 0.786 CB 1.564 29 residues pruned to eliminate duplicates Z: 22 45.890 2.155 1.052 0.958 1.000 0.762 CB 1.553 22 residues pruned to eliminate duplicates Z: 23 28.656 2.065 0.835 0.929 0.955 0.773 CB 1.182 23 residues pruned to eliminate duplicates Z: 49 53.535 2.194 0.955 0.714 0.958 0.500 CB 1.548 49 residues pruned to eliminate duplicates Z: 11 16.809 2.007 0.799 0.782 0.900 0.700 CA 1.276 11 residues pruned to eliminate duplicates Z: 27 60.574 2.341 1.158 0.966 1.000 0.692 CB 1.604 27 residues pruned to eliminate duplicates Z: 22 35.418 2.152 0.841 0.954 1.000 0.714 CB 1.342 21 residues pruned to eliminate duplicates Z: 20 41.197 2.279 0.903 0.948 1.000 0.789 CB 1.505 20 residues pruned to eliminate duplicates Z: 28 39.183 2.261 0.480 0.941 1.000 0.963 CB 1.564 28 residues pruned to eliminate duplicates Z: 7 17.386 2.071 0.592 0.803 1.000 0.833 CB 1.653 Z: 23 48.783 2.110 1.191 0.963 1.000 0.727 CB 1.538 23 residues pruned to eliminate duplicates Z: 23 44.223 2.115 1.209 0.933 1.000 0.818 CB 1.408 23 residues pruned to eliminate duplicates Z: 23 55.975 2.312 1.165 0.952 1.000 0.773 CA 1.642 23 residues pruned to eliminate duplicates Z: 7 6.792 2.028 0.182 0.847 0.667 0.333 CB 1.288 7 residues pruned to eliminate duplicates Z: 20 31.299 2.178 0.691 0.918 0.947 0.632 CB 1.451 20 residues pruned to eliminate duplicates Z: 24 51.231 2.197 1.200 0.948 0.957 0.565 CB 1.596 24 residues pruned to eliminate duplicates Z: 12 14.039 1.745 0.668 0.846 0.727 0.545 CA 1.486 12 residues pruned to eliminate duplicates Z: 21 31.421 2.194 0.579 0.865 0.950 0.650 CB 1.563 21 residues pruned to eliminate duplicates Z: 24 46.971 2.186 0.971 0.946 1.000 0.870 CA 1.572 24 residues pruned to eliminate duplicates Z: 19 31.655 2.147 0.972 0.930 0.889 0.667 CB 1.386 19 residues pruned to eliminate duplicates Z: 22 44.178 2.160 0.940 0.955 1.000 0.810 CA 1.580 22 residues pruned to eliminate duplicates Z: 22 55.564 2.317 1.215 0.950 1.000 0.905 CA 1.629 22 residues pruned to eliminate duplicates Z: 22 43.518 2.150 0.966 0.955 1.000 0.857 CB 1.544 22 residues pruned to eliminate duplicates Z: 22 43.353 2.292 0.675 0.958 1.000 0.952 CA 1.691 22 residues pruned to eliminate duplicates Z: 112 88.713 2.253 0.988 0.756 0.955 0.685 CB 1.567 114 residues pruned to eliminate duplicates Z: 8 21.405 2.268 0.894 0.824 1.000 0.714 CA 1.422 8 residues pruned to eliminate duplicates Z: 22 41.232 2.147 0.864 0.949 1.000 0.810 CB 1.551 22 residues pruned to eliminate duplicates Z: 11 15.499 1.679 0.699 0.874 1.000 0.500 CB 1.251 10 residues pruned to eliminate duplicates Z: 22 46.575 2.299 0.753 0.936 1.000 0.905 CB 1.756 22 residues pruned to eliminate duplicates Z: 82 72.719 2.307 0.847 0.737 0.926 0.679 CB 1.656 82 residues pruned to eliminate duplicates Z: 19 40.161 2.304 0.940 0.934 1.000 0.667 CB 1.477 19 residues pruned to eliminate duplicates Z: 28 46.275 2.299 0.751 0.945 0.963 0.741 CB 1.591 28 residues pruned to eliminate duplicates Z: 11 24.602 2.091 0.949 0.929 1.000 0.800 CA 1.336 11 residues pruned to eliminate duplicates Z: 52 57.043 2.282 1.002 0.720 0.902 0.529 CB 1.589 48 residues pruned to eliminate duplicates Z: 22 36.064 2.187 0.929 0.948 1.000 0.714 CB 1.288 22 residues pruned to eliminate duplicates Z: 28 47.861 2.302 0.812 0.951 0.963 0.815 CB 1.580 28 residues pruned to eliminate duplicates Z: 10 23.576 2.230 0.605 0.847 1.000 0.778 CA 1.630 10 residues pruned to eliminate duplicates Z: 31 42.790 2.209 0.894 0.873 0.967 0.633 CB 1.407 31 residues pruned to eliminate duplicates Z: 22 41.432 2.174 0.803 0.960 1.000 0.952 CB 1.580 22 residues pruned to eliminate duplicates Z: 21 35.332 2.179 0.836 0.916 0.950 0.700 CB 1.468 21 residues pruned to eliminate duplicates Z: 23 43.383 2.140 1.032 0.955 1.000 0.818 CB 1.462 23 residues pruned to eliminate duplicates Z: 22 32.623 2.160 0.831 0.942 1.000 0.619 CB 1.248 22 residues pruned to eliminate duplicates Z: 23 42.692 2.141 0.873 0.959 1.000 0.909 CB 1.556 23 residues pruned to eliminate duplicates Z: 9 18.475 2.156 1.057 0.674 1.000 0.750 CA 1.255 9 residues pruned to eliminate duplicates Z: 23 42.041 2.208 0.833 0.939 1.000 0.818 CA 1.539 23 residues pruned to eliminate duplicates Z: 8 14.866 1.974 0.777 0.747 1.000 0.714 CB 1.285 9 residues pruned to eliminate duplicates Z: 9 16.003 1.889 0.604 0.864 1.000 0.625 CA 1.369 9 residues pruned to eliminate duplicates Z: 28 47.872 2.267 0.940 0.917 0.963 0.852 CB 1.535 28 residues pruned to eliminate duplicates Z: 23 30.652 2.089 0.878 0.856 0.955 0.636 CB 1.287 23 residues pruned to eliminate duplicates Z: 21 36.029 2.173 0.788 0.910 1.000 0.700 CB 1.470 21 residues pruned to eliminate duplicates Z: 27 58.226 2.316 0.997 0.952 1.000 0.731 CB 1.700 27 residues pruned to eliminate duplicates Z: 20 38.706 2.241 0.988 0.918 0.947 0.684 CB 1.484 20 residues pruned to eliminate duplicates Z: 10 10.750 1.822 0.388 0.765 0.889 0.667 CB 1.260 10 residues pruned to eliminate duplicates Z: 10 36.057 2.347 1.203 0.916 1.000 0.889 CA 1.641 10 residues pruned to eliminate duplicates Z: 27 51.899 2.326 1.064 0.949 0.962 0.731 CB 1.521 27 residues pruned to eliminate duplicates Z: 23 38.214 2.084 0.806 0.959 1.000 0.909 CA 1.484 23 residues pruned to eliminate duplicates Z: 20 35.455 2.198 1.003 0.920 0.947 0.684 CB 1.373 20 residues pruned to eliminate duplicates Z: 24 39.727 2.172 0.646 0.920 1.000 0.913 CA 1.632 24 residues pruned to eliminate duplicates Z: 21 40.341 2.195 1.113 0.958 1.000 0.850 CB 1.334 22 residues pruned to eliminate duplicates Z: 29 47.645 2.256 1.063 0.895 0.964 0.679 CB 1.438 29 residues pruned to eliminate duplicates Z: 23 40.297 2.139 0.900 0.940 0.955 0.864 CB 1.538 23 residues pruned to eliminate duplicates Z: 11 19.727 2.188 0.602 0.898 0.900 0.800 CA 1.415 11 residues pruned to eliminate duplicates Z: 19 35.023 2.242 0.929 0.908 0.944 0.611 CB 1.434 19 residues pruned to eliminate duplicates Z: 21 32.171 2.218 0.795 0.944 1.000 0.650 CB 1.252 21 residues pruned to eliminate duplicates Z: 33 43.839 2.237 1.097 0.713 0.875 0.531 CB 1.557 33 residues pruned to eliminate duplicates Z: 24 31.341 2.062 0.493 0.948 1.000 0.826 CA 1.466 23 residues pruned to eliminate duplicates Z: 21 29.062 2.131 0.635 0.920 0.950 0.900 CB 1.383 21 residues pruned to eliminate duplicates Z: 24 34.803 1.999 0.804 0.927 1.000 0.957 CB 1.409 24 residues pruned to eliminate duplicates Z: 22 38.822 2.242 0.753 0.919 0.905 0.857 CB 1.679 22 residues pruned to eliminate duplicates Z: 21 32.865 2.191 0.811 0.934 1.000 0.700 CB 1.292 21 residues pruned to eliminate duplicates Z: 18 25.868 2.009 0.566 0.928 1.000 0.941 CA 1.397 18 residues pruned to eliminate duplicates Z: 16 28.969 2.234 0.544 0.794 1.000 0.733 CB 1.676 16 residues pruned to eliminate duplicates Z: 22 36.715 2.173 0.956 0.945 1.000 0.714 CB 1.305 22 residues pruned to eliminate duplicates Z: 27 25.979 2.204 0.205 0.881 0.923 0.731 CB 1.505 27 residues pruned to eliminate duplicates Z: 8 12.825 1.860 0.427 0.859 1.000 0.857 CA 1.344 8 residues pruned to eliminate duplicates Z: 25 28.407 2.123 0.754 0.828 0.958 0.750 CB 1.224 25 residues pruned to eliminate duplicates Z: 130 87.311 2.279 0.895 0.706 0.915 0.674 CB 1.615 131 residues pruned to eliminate duplicates Z: 22 41.978 2.199 1.057 0.921 0.905 0.667 CB 1.575 22 residues pruned to eliminate duplicates Z: 23 40.025 2.090 1.073 0.958 0.955 0.455 CB 1.416 24 residues pruned to eliminate duplicates Z: 23 48.512 2.255 1.176 0.927 0.909 0.545 CB 1.625 23 residues pruned to eliminate duplicates Z: 22 36.937 2.094 0.755 0.944 1.000 0.762 CA 1.519 22 residues pruned to eliminate duplicates Z: 19 37.859 2.245 1.131 0.933 0.944 0.556 CB 1.378 19 residues pruned to eliminate duplicates Z: 23 35.024 2.043 0.768 0.937 1.000 0.909 CA 1.438 23 residues pruned to eliminate duplicates Z: 110 90.036 2.290 0.993 0.742 0.963 0.633 CB 1.579 110 residues pruned to eliminate duplicates Z: 24 37.013 2.037 0.792 0.925 1.000 0.652 CB 1.483 24 residues pruned to eliminate duplicates Z: 45 47.450 2.278 0.758 0.673 0.932 0.636 CB 1.634 45 residues pruned to eliminate duplicates Z: 22 27.763 2.054 0.501 0.929 0.952 0.905 CB 1.443 22 residues pruned to eliminate duplicates Z: 22 48.793 2.312 1.183 0.949 0.905 0.905 CA 1.609 22 residues pruned to eliminate duplicates Z: 23 55.542 2.294 1.252 0.954 0.955 0.591 CA 1.652 23 residues pruned to eliminate duplicates Z: 21 23.619 2.155 0.509 0.917 0.950 0.900 CB 1.206 21 residues pruned to eliminate duplicates Z: 21 36.636 2.192 0.998 0.930 0.950 0.750 CB 1.377 22 residues pruned to eliminate duplicates Z: 23 45.069 2.247 0.809 0.924 1.000 0.818 CB 1.659 23 residues pruned to eliminate duplicates Z: 6 4.732 1.539 0.444 0.294 1.000 0.800 CA 1.199 Z: 12 24.372 2.250 0.966 0.747 1.000 0.545 CA 1.332 12 residues pruned to eliminate duplicates Z: 23 47.339 2.244 0.794 0.946 1.000 0.909 CA 1.733 23 residues pruned to eliminate duplicates Z: 27 51.805 2.284 1.016 0.951 1.000 0.654 CB 1.521 27 residues pruned to eliminate duplicates Z: 9 20.087 2.321 0.553 0.880 0.875 0.875 CB 1.631 9 residues pruned to eliminate duplicates Z: 9 11.207 1.656 1.036 0.700 0.875 0.625 C 1.120 9 residues pruned to eliminate duplicates Z: 22 33.056 2.130 0.782 0.938 1.000 0.619 CB 1.322 22 residues pruned to eliminate duplicates Z: 22 51.408 2.308 0.961 0.944 1.000 0.857 CB 1.716 22 residues pruned to eliminate duplicates Z: 30 28.896 1.997 0.766 0.621 0.966 0.690 CB 1.406 30 residues pruned to eliminate duplicates Z: 20 35.889 2.258 1.042 0.939 0.947 0.789 CB 1.311 20 residues pruned to eliminate duplicates Z: 28 20.960 2.130 0.528 0.469 0.852 0.593 CB 1.502 28 residues pruned to eliminate duplicates Z: 23 51.930 2.233 1.248 0.927 0.955 0.682 CB 1.619 23 residues pruned to eliminate duplicates Z: 11 25.174 2.060 1.046 0.899 1.000 0.900 CA 1.350 11 residues pruned to eliminate duplicates Z: 22 48.045 2.157 1.209 0.958 1.000 0.476 CB 1.508 22 residues pruned to eliminate duplicates Z: 6 3.027 1.158 0.618 0.637 0.800 0.400 O 0.794 Z: 22 47.217 2.278 1.033 0.915 0.952 0.857 CB 1.651 22 residues pruned to eliminate duplicates Z: 16 26.516 2.295 0.781 0.643 0.933 0.800 CA 1.571 16 residues pruned to eliminate duplicates Z: 10 13.433 1.942 0.377 0.882 1.000 0.778 CA 1.212 10 residues pruned to eliminate duplicates Z: 10 21.365 2.103 0.555 0.909 1.000 0.333 CA 1.547 10 residues pruned to eliminate duplicates Z: 45 48.481 2.232 0.743 0.705 0.932 0.773 CB 1.673 45 residues pruned to eliminate duplicates Z: 22 40.622 2.152 0.813 0.963 1.000 1.000 CA 1.553 22 residues pruned to eliminate duplicates Z: 21 34.486 2.178 1.051 0.880 0.900 0.650 CB 1.390 21 residues pruned to eliminate duplicates Z: 10 11.987 1.938 0.395 0.843 0.778 0.556 CA 1.415 Z: 20 22.502 2.187 0.536 0.567 0.947 0.632 CB 1.520 20 residues pruned to eliminate duplicates Z: 41 43.971 2.324 0.711 0.639 0.925 0.700 CB 1.659 41 residues pruned to eliminate duplicates Z: 23 48.911 2.261 0.878 0.944 1.000 0.818 CB 1.701 23 residues pruned to eliminate duplicates Z: 67 63.116 2.223 0.966 0.740 0.939 0.606 CB 1.527 67 residues pruned to eliminate duplicates Z: 61 62.696 2.272 0.966 0.763 0.967 0.600 CB 1.484 61 residues pruned to eliminate duplicates Z: 138 94.715 2.236 0.995 0.754 0.949 0.591 CB 1.524 138 residues pruned to eliminate duplicates Z: 39 38.845 2.238 0.690 0.587 0.921 0.632 CA 1.664 39 residues pruned to eliminate duplicates Z: 14 14.791 1.895 0.767 0.553 0.923 0.538 CB 1.260 14 residues pruned to eliminate duplicates Z: 86 64.083 2.225 0.756 0.716 0.929 0.753 CB 1.575 86 residues pruned to eliminate duplicates Z: 16 23.958 1.917 0.557 0.847 0.933 0.600 CB 1.649 16 residues pruned to eliminate duplicates Z: 52 53.884 2.267 0.960 0.664 0.922 0.569 CB 1.583 52 residues pruned to eliminate duplicates Z: 90 82.990 2.249 1.042 0.763 0.978 0.551 CB 1.552 90 residues pruned to eliminate duplicates Z: 35 58.854 2.335 1.123 0.741 0.941 0.647 CB 1.744 35 residues pruned to eliminate duplicates Z: 16 18.809 1.874 0.867 0.604 0.933 0.667 CB 1.346 16 residues pruned to eliminate duplicates Z: 28 47.470 2.260 0.935 0.925 0.963 0.852 CB 1.522 28 residues pruned to eliminate duplicates Z: 23 41.702 2.228 0.942 0.774 1.000 0.682 CB 1.613 23 residues pruned to eliminate duplicates Z: 23 45.321 2.229 0.795 0.923 1.000 0.955 CB 1.698 23 residues pruned to eliminate duplicates Z: 20 42.707 2.220 1.068 0.907 1.000 0.684 CB 1.516 20 residues pruned to eliminate duplicates Z: 36 40.568 2.030 0.998 0.749 0.943 0.600 CB 1.436 36 residues pruned to eliminate duplicates Z: 22 56.130 2.326 1.247 0.950 0.952 0.476 CB 1.697 22 residues pruned to eliminate duplicates Z: 36 51.812 2.315 1.147 0.671 0.943 0.457 CB 1.596 36 residues pruned to eliminate duplicates Z: 9 6.427 1.629 0.380 0.637 0.875 0.750 CA 1.016 8 residues pruned to eliminate duplicates Z: 23 35.023 2.085 0.887 0.948 1.000 0.773 CB 1.311 23 residues pruned to eliminate duplicates Z: 19 34.826 2.195 0.892 0.945 1.000 0.778 CB 1.368 19 residues pruned to eliminate duplicates Z: 10 24.264 2.081 1.029 0.890 1.000 1.000 CA 1.379 10 residues pruned to eliminate duplicates Z: 62 57.093 2.209 0.964 0.703 0.918 0.492 CB 1.525 62 residues pruned to eliminate duplicates Z: 6 2.641 1.506 -0.115 0.499 1.000 0.600 CB 0.887 6 residues pruned to eliminate duplicates Z: 43 51.527 2.125 1.034 0.761 0.952 0.548 CB 1.532 43 residues pruned to eliminate duplicates Z: 18 36.389 2.289 0.957 0.905 0.941 0.412 CB 1.490 18 residues pruned to eliminate duplicates Z: 22 48.527 2.304 0.928 0.945 1.000 0.762 CB 1.650 22 residues pruned to eliminate duplicates Z: 12 17.309 1.869 0.756 0.896 1.000 0.818 CA 1.139 12 residues pruned to eliminate duplicates Z: 10 4.222 1.542 0.533 0.273 0.778 0.778 CB 0.990 10 residues pruned to eliminate duplicates Z: 63 48.920 2.157 0.936 0.632 0.871 0.484 CB 1.510 63 residues pruned to eliminate duplicates Z: 22 54.420 2.327 1.141 0.951 1.000 0.571 CB 1.643 22 residues pruned to eliminate duplicates Z: 11 10.894 1.643 0.543 0.593 0.900 0.500 CA 1.381 11 residues pruned to eliminate duplicates Z: 60 58.260 2.271 0.764 0.774 0.932 0.729 CB 1.594 60 residues pruned to eliminate duplicates Z: 21 13.989 1.980 0.439 0.480 0.800 0.450 CB 1.401 31 residues pruned to eliminate duplicates Z: 22 28.320 1.911 1.008 0.922 0.905 0.190 CB 1.252 22 residues pruned to eliminate duplicates Z: 13 15.516 2.027 0.420 0.657 0.833 0.417 CA 1.614 13 residues pruned to eliminate duplicates Z: 17 33.929 2.240 1.020 0.931 0.938 0.750 CB 1.397 17 residues pruned to eliminate duplicates Z: 11 11.319 1.901 0.585 0.811 0.900 0.800 CB 1.006 11 residues pruned to eliminate duplicates Z: 48 45.849 2.109 0.897 0.686 0.915 0.447 CB 1.541 48 residues pruned to eliminate duplicates Z: 8 14.374 2.174 0.165 0.835 1.000 0.857 CA 1.607 8 residues pruned to eliminate duplicates Z: 18 33.632 2.236 0.940 0.776 0.941 0.882 CB 1.566 18 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 22 29.806 2.153 0.644 0.928 1.000 0.762 CB 1.287 22 residues pruned to eliminate duplicates Z: 30 25.384 1.998 0.775 0.681 0.931 0.690 CB 1.209 32 residues pruned to eliminate duplicates Z: 22 33.282 2.172 0.886 0.923 1.000 0.762 CB 1.246 22 residues pruned to eliminate duplicates Z: 24 29.137 2.156 0.836 0.790 0.913 0.739 CB 1.302 24 residues pruned to eliminate duplicates Z: 25 34.415 2.125 0.938 0.824 1.000 0.833 CB 1.288 24 residues pruned to eliminate duplicates Z: 20 31.622 2.190 0.789 0.930 1.000 0.526 CB 1.295 20 residues pruned to eliminate duplicates Z: 24 33.774 2.183 0.962 0.824 0.957 0.739 CB 1.298 25 residues pruned to eliminate duplicates Z: 21 36.581 2.211 1.053 0.948 1.000 0.600 CB 1.245 21 residues pruned to eliminate duplicates Z: 23 34.320 2.226 1.083 0.820 0.909 0.818 CB 1.316 23 residues pruned to eliminate duplicates Z: 25 30.956 2.105 0.900 0.828 0.917 0.667 CB 1.298 25 residues pruned to eliminate duplicates Z: 23 33.440 2.226 1.044 0.815 0.909 0.727 CB 1.310 23 residues pruned to eliminate duplicates Z: 24 31.237 2.160 0.991 0.781 0.913 0.739 CB 1.295 24 residues pruned to eliminate duplicates Z: 24 32.388 2.145 1.001 0.793 0.957 0.696 CB 1.273 24 residues pruned to eliminate duplicates Z: 25 29.585 2.097 0.892 0.795 0.917 0.500 CB 1.282 25 residues pruned to eliminate duplicates Z: 25 30.463 2.087 0.848 0.827 0.958 0.542 CB 1.268 25 residues pruned to eliminate duplicates Z: 22 29.497 2.102 1.097 0.832 0.857 0.476 CB 1.279 22 residues pruned to eliminate duplicates Z: 25 32.684 2.127 0.876 0.825 0.958 0.750 CB 1.317 25 residues pruned to eliminate duplicates Z: 24 32.633 2.176 0.899 0.824 0.957 0.609 CB 1.300 24 residues pruned to eliminate duplicates Z: 24 30.853 2.175 0.830 0.819 0.913 0.826 CB 1.343 24 residues pruned to eliminate duplicates Z: 26 25.928 2.069 0.698 0.725 0.960 0.840 CB 1.256 26 residues pruned to eliminate duplicates Z: 25 28.164 2.111 0.898 0.749 0.917 0.833 CB 1.254 25 residues pruned to eliminate duplicates Z: 24 30.107 2.170 0.817 0.813 0.957 0.739 CB 1.267 24 residues pruned to eliminate duplicates Z: 24 36.556 2.115 0.856 0.917 0.957 0.783 CB 1.433 24 residues pruned to eliminate duplicates Z: 106 83.967 2.264 0.854 0.769 0.971 0.762 CB 1.584 107 residues pruned to eliminate duplicates Z: 24 37.287 2.047 0.893 0.936 1.000 0.783 CB 1.397 24 residues pruned to eliminate duplicates Z: 25 38.457 2.068 1.014 0.883 0.958 0.708 CA 1.422 25 residues pruned to eliminate duplicates Z: 25 37.106 2.049 1.034 0.874 0.958 0.708 CB 1.380 25 residues pruned to eliminate duplicates Z: 23 45.137 2.116 1.060 0.921 1.000 0.909 CA 1.553 23 residues pruned to eliminate duplicates Z: 27 35.910 1.988 1.020 0.795 1.000 0.615 CA 1.355 27 residues pruned to eliminate duplicates Z: 113 88.263 2.242 0.882 0.743 0.982 0.705 CB 1.619 113 residues pruned to eliminate duplicates Z: 74 74.282 2.228 1.085 0.750 0.932 0.589 CB 1.608 23 residues pruned to eliminate duplicates Z: 23 45.845 2.082 1.143 0.945 1.000 0.773 CA 1.516 23 residues pruned to eliminate duplicates Z: 23 51.727 2.145 1.278 0.961 1.000 0.727 CB 1.544 23 residues pruned to eliminate duplicates Z: 25 43.544 2.115 1.188 0.857 0.958 0.583 CB 1.478 25 residues pruned to eliminate duplicates Z: 24 44.807 2.134 1.213 0.913 0.957 0.522 CB 1.464 24 residues pruned to eliminate duplicates Z: 57 64.016 2.215 1.053 0.827 0.946 0.661 CB 1.497 57 residues pruned to eliminate duplicates Z: 24 41.936 2.049 1.233 0.907 0.957 0.435 CA 1.420 24 residues pruned to eliminate duplicates Z: 24 44.517 2.056 1.160 0.913 1.000 0.565 CB 1.479 24 residues pruned to eliminate duplicates Z: 105 88.143 2.267 0.966 0.755 0.962 0.654 CB 1.606 105 residues pruned to eliminate duplicates Z: 48 53.404 2.184 1.033 0.736 0.915 0.404 CB 1.552 48 residues pruned to eliminate duplicates Z: 109 79.923 2.228 0.870 0.753 0.935 0.648 CB 1.575 109 residues pruned to eliminate duplicates Z: 153 103.877 2.295 0.888 0.753 0.961 0.664 CB 1.616 153 residues pruned to eliminate duplicates Z: 114 81.302 2.247 0.887 0.741 0.920 0.673 CB 1.580 114 residues pruned to eliminate duplicates Z: 42 43.786 2.081 1.129 0.713 0.902 0.585 CB 1.410 42 residues pruned to eliminate duplicates Z: 29 37.016 2.243 0.907 0.561 0.929 0.607 CB 1.659 29 residues pruned to eliminate duplicates Z: 92 71.173 2.257 0.845 0.694 0.945 0.692 CB 1.587 92 residues pruned to eliminate duplicates Z: 75 79.208 2.295 0.962 0.795 0.959 0.676 CB 1.646 75 residues pruned to eliminate duplicates Z: 87 70.915 2.282 0.868 0.708 0.907 0.709 CB 1.637 87 residues pruned to eliminate duplicates Z: 81 72.555 2.304 0.793 0.744 0.963 0.750 CB 1.640 81 residues pruned to eliminate duplicates Z: 84 71.724 2.296 0.805 0.729 0.952 0.747 CB 1.624 84 residues pruned to eliminate duplicates Z: 106 77.920 2.254 0.781 0.754 0.952 0.676 CB 1.586 106 residues pruned to eliminate duplicates Z: 41 49.686 2.175 1.004 0.727 0.925 0.725 CB 1.588 41 residues pruned to eliminate duplicates Z: 83 63.840 2.267 0.722 0.697 0.976 0.720 CB 1.547 83 residues pruned to eliminate duplicates Z: 105 85.844 2.285 0.881 0.772 0.952 0.644 CB 1.617 105 residues pruned to eliminate duplicates Z: 85 72.973 2.302 0.806 0.733 0.964 0.798 CB 1.610 85 residues pruned to eliminate duplicates Z: 83 73.451 2.314 0.841 0.738 0.951 0.720 CB 1.618 83 residues pruned to eliminate duplicates Z: 80 68.878 2.264 0.835 0.709 0.949 0.785 CB 1.625 80 residues pruned to eliminate duplicates Z: 60 55.127 2.248 0.748 0.675 0.949 0.780 CB 1.638 60 residues pruned to eliminate duplicates Z: 84 74.362 2.306 0.824 0.713 0.976 0.699 CB 1.639 84 residues pruned to eliminate duplicates Z: 108 87.469 2.254 0.931 0.762 0.972 0.673 CB 1.584 108 residues pruned to eliminate duplicates Z: 56 52.469 2.254 0.642 0.716 0.945 0.782 CB 1.663 56 residues pruned to eliminate duplicates Z: 104 86.563 2.278 0.901 0.765 0.961 0.670 CB 1.619 104 residues pruned to eliminate duplicates Z: 57 55.987 2.277 0.763 0.699 0.946 0.732 CB 1.643 57 residues pruned to eliminate duplicates Z: 76 75.323 2.276 0.977 0.775 0.933 0.653 CB 1.624 76 residues pruned to eliminate duplicates Z: 57 62.029 2.280 0.869 0.698 0.964 0.768 CB 1.683 57 residues pruned to eliminate duplicates Z: 90 68.745 2.250 0.778 0.688 0.955 0.674 CB 1.605 90 residues pruned to eliminate duplicates Z: 66 65.653 2.264 0.853 0.758 0.954 0.754 CB 1.618 66 residues pruned to eliminate duplicates Z: 31 33.093 2.211 0.790 0.564 0.900 0.633 CA 1.595 31 residues pruned to eliminate duplicates Z: 55 49.631 2.236 0.708 0.697 0.907 0.704 CB 1.628 55 residues pruned to eliminate duplicates Z: 104 83.089 2.276 0.893 0.771 0.942 0.709 CB 1.588 104 residues pruned to eliminate duplicates Z: 59 58.274 2.297 0.775 0.808 0.897 0.707 CB 1.601 59 residues pruned to eliminate duplicates Z: 85 75.673 2.302 0.857 0.735 0.964 0.714 CB 1.622 85 residues pruned to eliminate duplicates Z: 55 52.042 2.256 0.752 0.690 0.926 0.593 CB 1.626 55 residues pruned to eliminate duplicates Z: 111 77.033 2.230 0.840 0.716 0.927 0.618 CB 1.588 111 residues pruned to eliminate duplicates Z: 110 82.721 2.283 0.833 0.755 0.945 0.716 CB 1.597 110 residues pruned to eliminate duplicates Z: 105 88.263 2.276 0.976 0.757 0.962 0.548 CB 1.592 105 residues pruned to eliminate duplicates Z: 107 84.648 2.253 0.993 0.762 0.925 0.642 CB 1.570 107 residues pruned to eliminate duplicates Z: 39 52.431 2.278 0.863 0.791 0.974 0.605 CB 1.595 39 residues pruned to eliminate duplicates Z: 107 87.038 2.268 0.937 0.755 0.962 0.547 CB 1.594 107 residues pruned to eliminate duplicates Z: 56 61.986 2.313 0.909 0.709 0.964 0.691 CB 1.625 56 residues pruned to eliminate duplicates Z: 80 81.038 2.336 0.961 0.742 0.975 0.709 CB 1.644 80 residues pruned to eliminate duplicates Z: 62 59.735 2.266 0.942 0.770 0.902 0.557 CB 1.519 62 residues pruned to eliminate duplicates Z: 86 65.201 2.229 0.801 0.697 0.929 0.635 CB 1.583 86 residues pruned to eliminate duplicates Z: 60 53.522 2.225 0.776 0.760 0.915 0.593 CB 1.529 60 residues pruned to eliminate duplicates Z: 102 87.093 2.275 0.918 0.777 0.960 0.644 CB 1.620 102 residues pruned to eliminate duplicates Z: 134 93.632 2.274 0.883 0.748 0.932 0.647 CB 1.630 134 residues pruned to eliminate duplicates Z: 93 69.653 2.256 0.759 0.707 0.935 0.663 CB 1.622 93 residues pruned to eliminate duplicates Z: 81 81.681 2.324 0.982 0.742 0.975 0.650 CB 1.637 81 residues pruned to eliminate duplicates Z: 29 56.024 2.347 1.111 0.890 0.929 0.679 CB 1.656 29 residues pruned to eliminate duplicates Z: 36 53.573 2.280 0.932 0.818 0.943 0.771 CB 1.654 36 residues pruned to eliminate duplicates Z: 85 72.102 2.297 0.830 0.724 0.952 0.595 CB 1.605 85 residues pruned to eliminate duplicates Z: 69 68.205 2.327 0.852 0.750 0.926 0.647 CB 1.657 69 residues pruned to eliminate duplicates Z: 82 76.228 2.315 0.887 0.750 0.951 0.691 CB 1.632 82 residues pruned to eliminate duplicates Z: 81 67.308 2.282 0.843 0.738 0.938 0.562 CB 1.541 81 residues pruned to eliminate duplicates Z: 112 72.897 2.201 0.884 0.704 0.910 0.586 CB 1.524 112 residues pruned to eliminate duplicates Z: 80 76.586 2.319 0.989 0.734 0.937 0.595 CB 1.616 80 residues pruned to eliminate duplicates Z: 162 100.938 2.263 0.907 0.719 0.957 0.652 CB 1.580 162 residues pruned to eliminate duplicates Z: 80 77.297 2.337 0.889 0.754 0.949 0.658 CB 1.655 80 residues pruned to eliminate duplicates Z: 110 84.429 2.255 0.924 0.742 0.945 0.596 CB 1.588 110 residues pruned to eliminate duplicates Z: 101 80.269 2.243 0.993 0.731 0.950 0.630 CB 1.535 101 residues pruned to eliminate duplicates Z: 73 68.868 2.266 0.888 0.784 0.944 0.569 CB 1.565 73 residues pruned to eliminate duplicates Z: 84 77.008 2.302 0.902 0.715 0.976 0.759 CB 1.629 84 residues pruned to eliminate duplicates Z: 134 89.642 2.283 0.920 0.697 0.932 0.617 CB 1.589 134 residues pruned to eliminate duplicates Z: 103 85.673 2.284 0.936 0.779 0.951 0.588 CB 1.578 103 residues pruned to eliminate duplicates Z: 60 66.636 2.287 0.945 0.779 0.949 0.525 CB 1.607 60 residues pruned to eliminate duplicates Z: 105 86.766 2.282 0.976 0.765 0.962 0.558 CB 1.551 105 residues pruned to eliminate duplicates Z: 103 93.944 2.300 1.054 0.784 0.961 0.559 CB 1.595 103 residues pruned to eliminate duplicates Z: 108 84.474 2.261 0.972 0.749 0.944 0.607 CB 1.553 108 residues pruned to eliminate duplicates Z: 104 85.538 2.267 0.992 0.763 0.942 0.621 CB 1.570 104 residues pruned to eliminate duplicates Z: 120 83.363 2.285 0.872 0.720 0.924 0.664 CB 1.583 120 residues pruned to eliminate duplicates Z: 133 87.404 2.297 0.880 0.698 0.917 0.644 CB 1.604 133 residues pruned to eliminate duplicates Z: 103 88.647 2.284 1.015 0.772 0.941 0.608 CB 1.594 103 residues pruned to eliminate duplicates Z: 94 69.639 2.268 0.796 0.702 0.935 0.667 CB 1.576 94 residues pruned to eliminate duplicates Z: 81 81.402 2.331 0.981 0.755 0.963 0.637 CB 1.631 81 residues pruned to eliminate duplicates Z: 80 81.403 2.335 0.989 0.743 0.975 0.620 CB 1.627 80 residues pruned to eliminate duplicates Z: 72 70.998 2.284 0.967 0.761 0.944 0.549 CB 1.577 72 residues pruned to eliminate duplicates Z: 104 88.027 2.271 0.957 0.776 0.971 0.602 CB 1.576 104 residues pruned to eliminate duplicates Z: 107 83.882 2.244 0.967 0.762 0.962 0.585 CB 1.520 107 residues pruned to eliminate duplicates Z: 154 102.073 2.290 0.928 0.745 0.941 0.712 CB 1.594 154 residues pruned to eliminate duplicates Z: 81 78.574 2.327 0.926 0.739 0.975 0.637 CB 1.623 81 residues pruned to eliminate duplicates Z: 105 88.789 2.269 1.017 0.761 0.942 0.558 CB 1.602 105 residues pruned to eliminate duplicates Z: 134 93.091 2.282 0.885 0.711 0.947 0.647 CB 1.635 134 residues pruned to eliminate duplicates Z: 81 79.254 2.327 0.927 0.743 0.963 0.688 CB 1.652 81 residues pruned to eliminate duplicates Z: 55 53.660 2.241 0.909 0.675 0.907 0.630 CB 1.601 55 residues pruned to eliminate duplicates Z: 90 75.333 2.275 0.895 0.721 0.944 0.573 CB 1.608 90 residues pruned to eliminate duplicates Z: 39 46.768 2.187 0.898 0.743 0.947 0.579 CB 1.552 39 residues pruned to eliminate duplicates Z: 68 71.597 2.260 0.980 0.777 0.955 0.612 CB 1.602 68 residues pruned to eliminate duplicates Z: 127 97.640 2.320 0.932 0.705 0.968 0.722 CB 1.663 127 residues pruned to eliminate duplicates Z: 150 100.726 2.280 0.938 0.720 0.960 0.611 CB 1.595 150 residues pruned to eliminate duplicates Z: 147 101.021 2.266 0.964 0.729 0.952 0.623 CB 1.606 147 residues pruned to eliminate duplicates Z: 120 93.347 2.281 0.960 0.734 0.958 0.697 CB 1.619 120 residues pruned to eliminate duplicates Z: 129 88.939 2.290 0.881 0.714 0.930 0.656 CB 1.617 129 residues pruned to eliminate duplicates Z: 51 50.167 2.267 0.795 0.655 0.920 0.640 CB 1.641 51 residues pruned to eliminate duplicates Z: 45 51.408 2.303 0.864 0.690 0.909 0.727 CB 1.668 45 residues pruned to eliminate duplicates Z: 104 89.370 2.310 0.995 0.738 0.942 0.621 CB 1.639 104 residues pruned to eliminate duplicates Z: 26 46.056 2.306 0.966 0.841 0.920 0.880 CB 1.647 26 residues pruned to eliminate duplicates Z: 52 58.597 2.240 0.957 0.737 0.941 0.745 CB 1.608 52 residues pruned to eliminate duplicates Z: 136 100.426 2.309 0.930 0.718 0.970 0.652 CB 1.642 136 residues pruned to eliminate duplicates Z: 52 55.696 2.255 0.882 0.718 0.961 0.667 CB 1.570 52 residues pruned to eliminate duplicates Z: 127 99.169 2.332 0.981 0.708 0.960 0.659 CB 1.649 127 residues pruned to eliminate duplicates Z: 128 93.376 2.298 0.967 0.715 0.937 0.709 CB 1.610 128 residues pruned to eliminate duplicates Z: 44 55.731 2.301 1.015 0.688 0.930 0.651 CB 1.659 44 residues pruned to eliminate duplicates Z: 48 61.043 2.306 1.039 0.691 0.979 0.489 CB 1.625 48 residues pruned to eliminate duplicates Z: 115 83.264 2.254 0.952 0.732 0.930 0.623 CB 1.548 115 residues pruned to eliminate duplicates Z: 150 97.171 2.260 0.957 0.726 0.933 0.503 CB 1.574 150 residues pruned to eliminate duplicates Z: 42 61.179 2.346 1.097 0.714 0.951 0.634 CB 1.681 42 residues pruned to eliminate duplicates Z: 53 60.337 2.265 1.082 0.709 0.923 0.596 CB 1.590 53 residues pruned to eliminate duplicates Z: 46 54.043 2.265 1.072 0.719 0.911 0.533 CB 1.546 46 residues pruned to eliminate duplicates Z: 143 93.511 2.287 0.897 0.713 0.930 0.634 CB 1.604 143 residues pruned to eliminate duplicates Z: 59 49.296 2.229 0.900 0.608 0.862 0.552 CB 1.600 59 residues pruned to eliminate duplicates Z: 43 62.137 2.311 1.176 0.699 0.976 0.667 CB 1.628 43 residues pruned to eliminate duplicates Z: 41 64.657 2.372 1.073 0.733 0.975 0.525 CB 1.729 41 residues pruned to eliminate duplicates Z: 51 55.570 2.295 1.010 0.658 0.920 0.600 CB 1.599 51 residues pruned to eliminate duplicates Z: 43 60.947 2.312 1.125 0.720 0.952 0.548 CB 1.648 43 residues pruned to eliminate duplicates Z: 128 92.105 2.283 0.969 0.688 0.961 0.654 CB 1.593 128 residues pruned to eliminate duplicates Z: 41 64.786 2.379 1.055 0.734 0.975 0.675 CB 1.741 41 residues pruned to eliminate duplicates Z: 19 25.230 2.238 1.000 0.530 0.944 0.500 CA 1.366 19 residues pruned to eliminate duplicates Z: 103 92.432 2.291 1.084 0.739 0.971 0.578 CB 1.594 103 residues pruned to eliminate duplicates Z: 17 30.903 2.335 0.922 0.572 1.000 0.625 CA 1.605 17 residues pruned to eliminate duplicates Z: 46 57.868 2.315 1.090 0.659 0.956 0.533 CB 1.610 46 residues pruned to eliminate duplicates Z: 43 59.101 2.291 1.152 0.745 0.929 0.500 CB 1.599 43 residues pruned to eliminate duplicates Z: 48 55.902 2.207 1.074 0.653 0.957 0.617 CB 1.614 48 residues pruned to eliminate duplicates Z: 46 61.833 2.326 1.063 0.683 0.978 0.600 CB 1.660 46 residues pruned to eliminate duplicates Z: 47 54.332 2.227 1.064 0.678 0.913 0.500 CB 1.620 47 residues pruned to eliminate duplicates Z: 78 70.310 2.251 1.078 0.759 0.896 0.675 CB 1.518 78 residues pruned to eliminate duplicates Z: 12 40.937 2.358 1.154 0.941 1.000 0.727 CB 1.687 12 residues pruned to eliminate duplicates Z: 55 55.140 2.189 1.104 0.621 0.926 0.611 CB 1.570 55 residues pruned to eliminate duplicates Z: 42 64.552 2.333 1.164 0.765 0.951 0.561 CB 1.659 42 residues pruned to eliminate duplicates Z: 20 30.942 2.290 0.937 0.620 1.000 0.526 CB 1.428 20 residues pruned to eliminate duplicates Z: 27 29.683 2.165 0.837 0.528 0.885 0.538 CB 1.610 27 residues pruned to eliminate duplicates Z: 55 71.021 2.293 1.145 0.780 0.944 0.741 CB 1.625 55 residues pruned to eliminate duplicates Z: 30 42.214 2.240 0.860 0.742 0.931 0.759 CA 1.627 30 residues pruned to eliminate duplicates Z: 13 24.383 2.041 0.914 0.775 0.917 0.833 CA 1.541 13 residues pruned to eliminate duplicates Z: 78 64.652 2.187 1.052 0.716 0.909 0.662 CB 1.485 78 residues pruned to eliminate duplicates Z: 13 20.702 2.053 0.820 0.753 0.917 0.750 CA 1.393 13 residues pruned to eliminate duplicates Z: 11 26.714 2.290 0.951 0.830 0.900 0.900 CA 1.580 11 residues pruned to eliminate duplicates Z: 53 53.904 2.207 0.985 0.711 0.865 0.538 CB 1.628 53 residues pruned to eliminate duplicates Z: 14 20.560 2.011 0.941 0.701 0.846 0.615 CA 1.438 14 residues pruned to eliminate duplicates Z: 12 30.697 2.196 1.243 0.830 0.909 0.818 CA 1.554 12 residues pruned to eliminate duplicates Z: 13 23.890 2.008 1.237 0.755 0.833 0.750 CA 1.468 13 residues pruned to eliminate duplicates Z: 14 17.667 1.957 0.874 0.703 0.846 0.538 CA 1.312 14 residues pruned to eliminate duplicates 186 residues left after pruning, divided into chains as follows: A: 186 CC for partial structure against native data = 47.18 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.462, Connect. = 0.774 for dens.mod. cycle 1 = 0.300, Contrast = 0.525, Connect. = 0.794 for dens.mod. cycle 2 = 0.300, Contrast = 0.617, Connect. = 0.813 for dens.mod. cycle 3 = 0.300, Contrast = 0.623, Connect. = 0.813 for dens.mod. cycle 4 = 0.300, Contrast = 0.631, Connect. = 0.814 for dens.mod. cycle 5 = 0.300, Contrast = 0.634, Connect. = 0.815 for dens.mod. cycle 6 = 0.300, Contrast = 0.639, Connect. = 0.816 for dens.mod. cycle 7 = 0.300, Contrast = 0.641, Connect. = 0.816 for dens.mod. cycle 8 = 0.300, Contrast = 0.642, Connect. = 0.817 for dens.mod. cycle 9 = 0.300, Contrast = 0.643, Connect. = 0.817 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1258 peaks > 0.5 sigma used to seed fragment search Space for about 244 unique residues taking solvent into account 253 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 39.464 2.237 1.033 0.935 0.947 0.632 CB 1.464 B: 22 60.849 2.325 1.249 0.947 1.000 0.714 CB 1.754 C: 23 53.523 2.286 1.206 0.907 0.955 0.636 CB 1.686 23 residues pruned to eliminate duplicates D: 11 27.430 2.319 1.104 0.870 0.800 0.600 CA 1.623 E: 24 58.343 2.220 1.372 0.939 0.957 0.522 CB 1.678 23 residues pruned to eliminate duplicates F: 24 48.492 2.336 0.966 0.936 0.957 0.652 CB 1.604 G: 28 58.879 2.340 1.153 0.948 0.963 0.741 CB 1.613 24 residues pruned to eliminate duplicates H: 84 70.819 2.288 0.809 0.729 0.964 0.675 CB 1.586 48 residues pruned to eliminate duplicates I: 23 58.448 2.274 1.135 0.954 1.000 0.773 CA 1.766 23 residues pruned to eliminate duplicates J: 20 35.016 2.245 1.089 0.881 0.895 0.579 CB 1.386 20 residues pruned to eliminate duplicates K: 23 52.995 2.281 1.013 0.938 1.000 0.773 CB 1.711 23 residues pruned to eliminate duplicates L: 21 31.099 2.165 0.863 0.936 0.950 0.750 CB 1.264 M: 31 42.614 2.221 0.716 0.899 0.967 0.800 CB 1.510 31 residues pruned to eliminate duplicates N: 10 14.639 1.994 0.696 0.614 0.889 0.667 CA 1.458 10 residues pruned to eliminate duplicates O: 22 47.609 2.317 0.726 0.954 1.000 0.857 CB 1.786 22 residues pruned to eliminate duplicates P: 28 48.500 2.329 0.766 0.943 0.963 0.852 CB 1.633 28 residues pruned to eliminate duplicates Q: 27 51.891 2.359 0.862 0.957 0.962 0.808 CB 1.653 27 residues pruned to eliminate duplicates R: 21 27.867 2.175 0.486 0.877 0.950 0.650 CB 1.474 21 residues pruned to eliminate duplicates S: 24 59.698 2.215 1.358 0.943 1.000 0.783 CB 1.651 24 residues pruned to eliminate duplicates T: 31 49.130 2.180 0.910 0.884 1.000 0.667 CB 1.557 31 residues pruned to eliminate duplicates U: 10 24.026 2.241 0.827 0.812 1.000 0.667 CB 1.491 10 residues pruned to eliminate duplicates V: 20 28.194 2.155 0.695 0.951 1.000 0.737 CB 1.220 20 residues pruned to eliminate duplicates W: 10 23.086 2.294 0.733 0.786 0.889 0.778 CA 1.694 10 residues pruned to eliminate duplicates X: 11 21.011 1.988 0.845 0.859 0.900 0.900 CA 1.482 Y: 29 49.698 2.255 1.013 0.917 0.964 0.857 CB 1.514 29 residues pruned to eliminate duplicates Z: 29 53.875 2.286 0.890 0.956 1.000 0.893 CB 1.619 29 residues pruned to eliminate duplicates Z: 11 32.981 2.263 1.334 0.883 0.900 0.800 CA 1.586 10 residues pruned to eliminate duplicates Z: 10 18.939 2.213 0.462 0.862 1.000 0.889 CB 1.432 10 residues pruned to eliminate duplicates Z: 10 21.020 2.292 0.445 0.860 1.000 0.889 CB 1.556 10 residues pruned to eliminate duplicates Z: 22 53.223 2.360 1.059 0.954 1.000 0.952 CA 1.644 22 residues pruned to eliminate duplicates Z: 30 48.503 2.216 0.950 0.913 0.966 0.759 CB 1.528 30 residues pruned to eliminate duplicates Z: 28 59.975 2.316 1.236 0.964 0.963 0.630 CB 1.581 28 residues pruned to eliminate duplicates Z: 23 28.801 2.032 0.771 0.933 1.000 0.773 CB 1.191 23 residues pruned to eliminate duplicates Z: 27 57.167 2.357 1.030 0.954 1.000 0.654 CB 1.611 27 residues pruned to eliminate duplicates Z: 22 47.729 2.335 0.704 0.955 1.000 0.857 CB 1.800 22 residues pruned to eliminate duplicates Z: 28 52.975 2.330 0.836 0.955 1.000 0.815 CB 1.638 28 residues pruned to eliminate duplicates Z: 8 16.117 1.930 0.717 0.793 1.000 0.714 CA 1.422 Z: 11 21.381 2.181 0.463 0.829 1.000 0.800 CB 1.595 11 residues pruned to eliminate duplicates Z: 22 50.092 2.323 0.973 0.936 1.000 0.714 CB 1.661 22 residues pruned to eliminate duplicates Z: 10 24.571 2.319 0.572 0.887 1.000 1.000 CB 1.620 10 residues pruned to eliminate duplicates Z: 23 45.302 2.166 0.990 0.959 1.000 0.818 CB 1.535 Z: 23 46.253 2.116 1.099 0.941 1.000 1.000 CA 1.541 23 residues pruned to eliminate duplicates Z: 27 50.336 2.316 0.865 0.943 1.000 0.846 CB 1.583 27 residues pruned to eliminate duplicates Z: 29 49.377 2.268 1.071 0.915 0.929 0.679 CB 1.513 29 residues pruned to eliminate duplicates Z: 7 24.530 2.258 0.736 0.881 1.000 0.667 CB 1.850 6 residues pruned to eliminate duplicates Z: 8 12.564 1.871 0.425 0.852 0.857 0.714 CB 1.538 8 residues pruned to eliminate duplicates Z: 22 64.638 2.329 1.399 0.960 1.000 0.714 CB 1.729 22 residues pruned to eliminate duplicates Z: 21 34.748 2.153 0.791 0.884 1.000 0.800 CB 1.456 21 residues pruned to eliminate duplicates Z: 21 29.474 2.159 0.741 0.949 1.000 0.750 CB 1.210 21 residues pruned to eliminate duplicates Z: 8 16.516 2.025 0.553 0.866 0.857 0.857 CB 1.696 8 residues pruned to eliminate duplicates Z: 22 45.935 2.169 1.065 0.957 1.000 0.714 CB 1.536 22 residues pruned to eliminate duplicates Z: 23 42.308 2.131 1.100 0.930 0.955 0.955 CB 1.477 23 residues pruned to eliminate duplicates Z: 23 43.228 2.224 0.719 0.926 1.000 0.773 CA 1.691 23 residues pruned to eliminate duplicates Z: 28 52.156 2.304 0.804 0.945 1.000 0.889 CB 1.672 28 residues pruned to eliminate duplicates Z: 29 56.555 2.203 1.090 0.960 1.000 0.679 CB 1.589 29 residues pruned to eliminate duplicates Z: 31 53.022 2.224 1.186 0.907 0.967 0.700 CB 1.464 31 residues pruned to eliminate duplicates Z: 29 51.969 2.281 0.909 0.942 1.000 0.714 CB 1.564 29 residues pruned to eliminate duplicates Z: 22 50.979 2.291 0.986 0.934 1.000 0.667 CB 1.705 22 residues pruned to eliminate duplicates Z: 24 50.266 2.259 1.016 0.948 1.000 0.826 CA 1.589 24 residues pruned to eliminate duplicates Z: 82 69.805 2.291 0.764 0.719 0.963 0.741 CB 1.635 82 residues pruned to eliminate duplicates Z: 24 54.435 2.258 1.210 0.942 1.000 0.652 CA 1.578 24 residues pruned to eliminate duplicates Z: 11 21.038 2.167 0.837 0.824 0.900 0.700 CA 1.403 11 residues pruned to eliminate duplicates Z: 22 51.914 2.350 1.043 0.946 1.000 0.810 CA 1.632 22 residues pruned to eliminate duplicates Z: 9 31.225 2.351 0.926 0.905 1.000 0.750 CB 1.736 9 residues pruned to eliminate duplicates Z: 23 40.264 2.214 0.599 0.934 1.000 0.818 CB 1.692 23 residues pruned to eliminate duplicates Z: 20 30.974 2.176 0.635 0.934 1.000 0.842 CB 1.393 20 residues pruned to eliminate duplicates Z: 23 48.542 2.282 1.110 0.939 0.955 0.682 CB 1.565 23 residues pruned to eliminate duplicates Z: 11 14.229 2.002 0.508 0.709 0.800 0.500 CB 1.541 11 residues pruned to eliminate duplicates Z: 22 43.657 2.166 0.951 0.962 1.000 0.952 CA 1.542 22 residues pruned to eliminate duplicates Z: 77 71.431 2.233 0.976 0.739 0.921 0.645 CB 1.628 80 residues pruned to eliminate duplicates Z: 24 45.202 2.232 1.014 0.936 0.957 0.826 CA 1.527 24 residues pruned to eliminate duplicates Z: 11 33.956 2.205 1.157 0.920 1.000 0.800 CA 1.590 11 residues pruned to eliminate duplicates Z: 23 62.085 2.331 1.353 0.955 1.000 0.682 CA 1.658 23 residues pruned to eliminate duplicates Z: 12 27.710 2.222 0.741 0.927 1.000 0.273 CA 1.513 12 residues pruned to eliminate duplicates Z: 17 37.699 2.302 0.992 0.943 1.000 0.688 CB 1.424 17 residues pruned to eliminate duplicates Z: 28 54.138 2.320 0.882 0.954 1.000 0.815 CB 1.641 28 residues pruned to eliminate duplicates Z: 22 40.607 2.163 0.821 0.953 1.000 0.905 CA 1.549 22 residues pruned to eliminate duplicates Z: 22 38.840 2.154 0.792 0.956 1.000 0.810 CA 1.508 22 residues pruned to eliminate duplicates Z: 8 20.088 2.252 0.655 0.848 1.000 1.000 CA 1.511 8 residues pruned to eliminate duplicates Z: 11 15.709 1.941 0.426 0.785 1.000 0.600 CB 1.397 11 residues pruned to eliminate duplicates Z: 77 71.155 2.290 0.915 0.739 0.934 0.605 CB 1.608 77 residues pruned to eliminate duplicates Z: 23 40.131 2.241 0.598 0.928 1.000 1.000 CA 1.673 23 residues pruned to eliminate duplicates Z: 23 42.638 2.168 0.874 0.964 1.000 0.818 CB 1.528 23 residues pruned to eliminate duplicates Z: 23 51.054 2.310 1.046 0.954 1.000 0.773 CA 1.584 23 residues pruned to eliminate duplicates Z: 55 50.299 2.231 0.918 0.676 0.852 0.630 CA 1.596 52 residues pruned to eliminate duplicates Z: 11 19.498 1.988 0.660 0.858 0.900 0.700 CA 1.529 11 residues pruned to eliminate duplicates Z: 9 18.725 2.028 1.052 0.585 0.875 0.625 CB 1.676 9 residues pruned to eliminate duplicates Z: 23 49.744 2.240 1.015 0.937 1.000 0.591 CB 1.635 23 residues pruned to eliminate duplicates Z: 82 67.740 2.287 0.730 0.731 0.938 0.704 CB 1.647 82 residues pruned to eliminate duplicates Z: 18 31.261 2.271 0.869 0.941 0.882 0.588 CB 1.405 18 residues pruned to eliminate duplicates Z: 22 50.541 2.181 1.235 0.961 1.000 0.952 CB 1.548 23 residues pruned to eliminate duplicates Z: 29 53.223 2.277 1.088 0.949 0.929 0.714 CB 1.572 29 residues pruned to eliminate duplicates Z: 6 6.401 1.705 0.382 0.760 0.800 0.800 CB 1.204 Z: 20 38.474 2.267 0.903 0.891 1.000 0.526 CB 1.471 20 residues pruned to eliminate duplicates Z: 26 49.483 2.308 0.755 0.953 1.000 0.960 CB 1.682 26 residues pruned to eliminate duplicates Z: 13 23.572 2.156 0.523 0.924 1.000 1.000 CB 1.455 13 residues pruned to eliminate duplicates Z: 22 36.744 2.141 0.701 0.962 1.000 1.000 CA 1.506 22 residues pruned to eliminate duplicates Z: 21 34.675 2.159 0.850 0.932 0.950 0.650 CB 1.427 21 residues pruned to eliminate duplicates Z: 37 51.073 2.300 1.055 0.746 0.917 0.583 CB 1.577 35 residues pruned to eliminate duplicates Z: 24 49.203 2.240 1.064 0.946 1.000 0.913 CA 1.535 24 residues pruned to eliminate duplicates Z: 23 37.437 2.217 0.718 0.889 0.909 0.727 CA 1.659 23 residues pruned to eliminate duplicates Z: 20 41.356 2.284 1.054 0.915 1.000 0.632 CB 1.430 20 residues pruned to eliminate duplicates Z: 20 40.373 2.283 0.905 0.926 1.000 0.842 CB 1.493 20 residues pruned to eliminate duplicates Z: 10 24.301 2.250 0.686 0.826 1.000 0.778 CB 1.611 10 residues pruned to eliminate duplicates Z: 24 25.949 2.065 0.651 0.874 0.957 0.783 CB 1.207 24 residues pruned to eliminate duplicates Z: 7 15.779 2.002 0.726 0.833 0.833 0.667 CB 1.678 7 residues pruned to eliminate duplicates Z: 23 55.883 2.328 1.112 0.953 1.000 0.773 CA 1.668 23 residues pruned to eliminate duplicates Z: 19 30.358 2.238 0.779 0.949 1.000 0.722 CB 1.241 20 residues pruned to eliminate duplicates Z: 28 54.310 2.324 0.983 0.959 0.963 0.778 CB 1.615 28 residues pruned to eliminate duplicates Z: 23 42.931 2.159 0.966 0.962 1.000 0.955 CB 1.476 23 residues pruned to eliminate duplicates Z: 15 25.571 1.998 0.580 0.921 0.929 0.643 CB 1.640 15 residues pruned to eliminate duplicates Z: 22 32.242 2.174 0.899 0.947 0.952 0.667 CB 1.237 21 residues pruned to eliminate duplicates Z: 22 32.858 2.110 1.127 0.895 0.952 0.714 CB 1.203 22 residues pruned to eliminate duplicates Z: 22 41.820 2.164 0.926 0.967 1.000 0.952 CB 1.493 22 residues pruned to eliminate duplicates Z: 22 35.965 2.161 0.648 0.960 1.000 1.000 CA 1.509 22 residues pruned to eliminate duplicates Z: 8 17.552 1.969 0.789 0.727 0.857 0.571 CA 1.790 8 residues pruned to eliminate duplicates Z: 23 37.826 2.054 0.930 0.926 1.000 0.818 CB 1.427 23 residues pruned to eliminate duplicates Z: 21 31.508 2.210 0.709 0.938 1.000 0.750 CB 1.297 21 residues pruned to eliminate duplicates Z: 23 47.704 2.155 1.191 0.960 1.000 0.818 CB 1.475 23 residues pruned to eliminate duplicates Z: 21 34.688 2.165 0.788 0.901 1.000 0.550 CB 1.430 21 residues pruned to eliminate duplicates Z: 23 56.117 2.252 1.136 0.933 1.000 0.727 CB 1.736 23 residues pruned to eliminate duplicates Z: 20 37.102 2.210 1.027 0.924 0.947 0.421 CB 1.409 20 residues pruned to eliminate duplicates Z: 22 55.862 2.317 1.015 0.954 1.000 0.857 CB 1.795 22 residues pruned to eliminate duplicates Z: 19 40.553 2.311 1.017 0.948 1.000 0.722 CB 1.416 19 residues pruned to eliminate duplicates Z: 23 43.185 2.219 0.756 0.939 1.000 0.773 CA 1.642 23 residues pruned to eliminate duplicates Z: 15 20.908 2.074 0.839 0.750 0.857 0.643 CA 1.368 15 residues pruned to eliminate duplicates Z: 20 32.355 2.273 0.587 0.928 0.947 0.895 CB 1.522 20 residues pruned to eliminate duplicates Z: 14 22.222 2.147 1.035 0.641 0.846 0.615 CB 1.460 14 residues pruned to eliminate duplicates Z: 21 31.389 2.159 0.901 0.954 0.950 0.850 CB 1.238 21 residues pruned to eliminate duplicates Z: 23 29.051 2.049 0.480 0.922 1.000 0.909 CB 1.436 23 residues pruned to eliminate duplicates Z: 23 48.634 2.145 1.223 0.955 1.000 0.773 CB 1.494 23 residues pruned to eliminate duplicates Z: 55 48.803 2.217 0.836 0.642 0.944 0.704 CB 1.512 60 residues pruned to eliminate duplicates Z: 23 33.428 2.051 0.683 0.929 1.000 0.955 CB 1.445 23 residues pruned to eliminate duplicates Z: 22 45.725 2.303 0.867 0.944 1.000 0.905 CA 1.607 22 residues pruned to eliminate duplicates Z: 23 43.726 2.196 0.733 0.922 1.000 0.909 CA 1.722 23 residues pruned to eliminate duplicates Z: 20 38.865 2.246 1.117 0.956 1.000 0.842 CB 1.287 21 residues pruned to eliminate duplicates Z: 8 23.228 1.986 0.837 0.876 1.000 0.857 CB 1.749 8 residues pruned to eliminate duplicates Z: 22 27.766 2.064 0.723 0.952 1.000 0.952 CB 1.174 20 residues pruned to eliminate duplicates Z: 22 29.330 2.102 0.753 0.924 1.000 0.714 CB 1.220 22 residues pruned to eliminate duplicates Z: 8 9.068 1.715 0.698 0.645 0.714 0.429 CA 1.438 8 residues pruned to eliminate duplicates Z: 15 12.471 1.854 0.203 0.861 0.786 0.429 CB 1.397 15 residues pruned to eliminate duplicates Z: 32 50.136 2.205 1.057 0.759 0.968 0.581 CB 1.630 32 residues pruned to eliminate duplicates Z: 23 23.499 1.993 0.554 0.896 0.955 0.727 CB 1.214 22 residues pruned to eliminate duplicates Z: 22 57.488 2.373 1.192 0.960 1.000 0.619 CA 1.653 22 residues pruned to eliminate duplicates Z: 23 29.902 2.071 0.537 0.926 1.000 0.864 CB 1.404 23 residues pruned to eliminate duplicates Z: 20 38.579 2.238 1.109 0.938 0.947 0.474 CB 1.376 20 residues pruned to eliminate duplicates Z: 24 40.577 2.225 0.935 0.789 0.957 0.826 CB 1.594 24 residues pruned to eliminate duplicates Z: 19 21.206 1.876 0.763 0.696 0.944 0.500 CB 1.338 19 residues pruned to eliminate duplicates Z: 26 39.003 2.259 0.722 0.825 0.920 0.840 CB 1.645 26 residues pruned to eliminate duplicates Z: 20 34.369 2.225 0.721 0.901 1.000 0.632 CB 1.470 20 residues pruned to eliminate duplicates Z: 24 32.021 2.043 0.672 0.922 1.000 0.870 CB 1.374 24 residues pruned to eliminate duplicates Z: 11 19.126 2.105 0.453 0.897 1.000 1.000 CB 1.416 11 residues pruned to eliminate duplicates Z: 6 4.640 1.546 0.015 0.859 1.000 0.800 CA 0.973 6 residues pruned to eliminate duplicates Z: 23 34.639 2.102 0.730 0.933 0.955 0.818 CB 1.485 23 residues pruned to eliminate duplicates Z: 60 56.864 2.210 0.806 0.787 0.932 0.746 CB 1.546 60 residues pruned to eliminate duplicates Z: 50 51.830 2.208 0.837 0.693 0.939 0.776 CA 1.629 50 residues pruned to eliminate duplicates Z: 29 54.168 2.218 1.296 0.919 0.964 0.500 CB 1.470 29 residues pruned to eliminate duplicates Z: 36 55.073 2.288 1.070 0.726 0.943 0.543 CB 1.701 36 residues pruned to eliminate duplicates Z: 10 10.761 1.817 0.411 0.831 0.778 0.556 CA 1.351 16 residues pruned to eliminate duplicates Z: 23 38.318 2.132 0.739 0.947 1.000 0.864 CB 1.522 23 residues pruned to eliminate duplicates Z: 16 17.278 1.907 0.874 0.615 0.867 0.600 CA 1.292 16 residues pruned to eliminate duplicates Z: 28 59.470 2.338 1.153 0.963 0.963 0.926 CB 1.614 28 residues pruned to eliminate duplicates Z: 13 12.052 2.156 0.090 0.549 0.833 0.667 CA 1.693 13 residues pruned to eliminate duplicates Z: 27 52.852 2.295 0.990 0.942 0.962 0.654 CB 1.638 27 residues pruned to eliminate duplicates Z: 30 43.523 2.337 0.957 0.705 0.862 0.517 CB 1.701 30 residues pruned to eliminate duplicates Z: 78 70.480 2.281 0.940 0.705 0.948 0.649 CB 1.589 78 residues pruned to eliminate duplicates Z: 15 15.049 1.826 0.680 0.494 1.000 0.643 CA 1.319 15 residues pruned to eliminate duplicates Z: 18 36.333 2.090 1.023 0.925 1.000 0.941 CA 1.463 18 residues pruned to eliminate duplicates Z: 22 47.201 2.315 1.042 0.937 0.952 0.619 CA 1.592 22 residues pruned to eliminate duplicates Z: 17 25.757 2.118 0.787 0.704 0.875 0.750 CB 1.614 17 residues pruned to eliminate duplicates Z: 21 28.117 2.082 0.666 0.631 1.000 0.650 CB 1.602 21 residues pruned to eliminate duplicates Z: 89 74.594 2.289 0.771 0.730 0.977 0.750 CB 1.632 89 residues pruned to eliminate duplicates Z: 16 16.683 1.947 0.507 0.561 1.000 0.800 CA 1.384 16 residues pruned to eliminate duplicates Z: 19 29.652 2.167 0.946 0.594 1.000 0.667 CA 1.514 19 residues pruned to eliminate duplicates Z: 8 16.672 2.120 0.580 0.847 0.857 0.857 CA 1.628 8 residues pruned to eliminate duplicates Z: 6 4.606 1.501 0.485 0.299 1.000 0.800 CA 1.157 Z: 22 47.551 2.316 0.719 0.950 1.000 0.857 CB 1.798 22 residues pruned to eliminate duplicates Z: 36 37.912 2.123 0.807 0.706 0.943 0.629 CB 1.469 36 residues pruned to eliminate duplicates Z: 35 53.793 2.314 1.226 0.696 0.941 0.529 CB 1.590 35 residues pruned to eliminate duplicates Z: 103 85.676 2.258 0.895 0.779 0.971 0.725 CB 1.597 103 residues pruned to eliminate duplicates Z: 36 42.768 2.269 0.897 0.629 0.914 0.600 CA 1.627 36 residues pruned to eliminate duplicates Z: 8 4.111 1.538 0.003 0.814 0.857 0.714 CB 0.895 8 residues pruned to eliminate duplicates Z: 20 35.504 2.214 0.888 0.878 1.000 0.526 CB 1.413 20 residues pruned to eliminate duplicates Z: 75 72.463 2.297 0.969 0.731 0.959 0.595 CB 1.578 75 residues pruned to eliminate duplicates Z: 20 31.060 2.282 0.680 0.882 0.895 0.789 CB 1.503 20 residues pruned to eliminate duplicates Z: 14 15.843 1.844 0.675 0.785 0.923 0.846 CA 1.200 14 residues pruned to eliminate duplicates Z: 6 12.114 1.944 0.660 0.841 1.000 0.800 CA 1.252 6 residues pruned to eliminate duplicates Z: 28 49.221 2.298 0.886 0.942 0.963 0.852 CB 1.574 28 residues pruned to eliminate duplicates Z: 11 11.484 1.577 0.752 0.595 1.000 0.500 CA 1.201 8 residues pruned to eliminate duplicates Z: 59 57.213 2.204 0.944 0.674 0.966 0.500 CB 1.546 55 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 24 37.045 2.136 0.829 0.885 0.957 0.739 CA 1.493 26 residues pruned to eliminate duplicates Z: 22 44.056 2.167 0.945 0.959 1.000 0.857 CB 1.563 22 residues pruned to eliminate duplicates Z: 22 41.151 2.167 0.879 0.958 1.000 0.905 CB 1.513 22 residues pruned to eliminate duplicates Z: 21 44.794 2.193 0.989 0.964 1.000 0.950 CB 1.569 21 residues pruned to eliminate duplicates Z: 25 39.443 2.072 1.051 0.840 0.958 0.750 CB 1.475 25 residues pruned to eliminate duplicates Z: 24 40.604 2.149 1.057 0.916 0.957 0.826 CB 1.414 24 residues pruned to eliminate duplicates Z: 25 34.824 2.075 0.848 0.879 0.958 0.792 CB 1.403 25 residues pruned to eliminate duplicates Z: 75 83.930 2.298 0.961 0.787 1.000 0.770 CB 1.682 72 residues pruned to eliminate duplicates Z: 22 45.884 2.159 1.063 0.965 1.000 0.762 CA 1.535 22 residues pruned to eliminate duplicates Z: 23 42.972 2.097 0.997 0.931 1.000 0.727 CA 1.529 23 residues pruned to eliminate duplicates Z: 76 81.502 2.304 0.937 0.806 0.973 0.733 CB 1.660 76 residues pruned to eliminate duplicates Z: 24 45.219 2.108 1.145 0.917 1.000 0.826 CB 1.472 24 residues pruned to eliminate duplicates Z: 105 89.828 2.277 0.948 0.761 0.971 0.808 CB 1.622 105 residues pruned to eliminate duplicates Z: 75 83.702 2.320 1.004 0.791 0.973 0.743 CB 1.667 75 residues pruned to eliminate duplicates Z: 23 48.670 2.167 1.184 0.960 1.000 0.727 CB 1.501 23 residues pruned to eliminate duplicates Z: 22 46.143 2.159 1.048 0.961 1.000 0.857 CB 1.559 22 residues pruned to eliminate duplicates Z: 25 42.918 2.020 1.119 0.930 1.000 0.750 CB 1.431 25 residues pruned to eliminate duplicates Z: 23 45.975 2.125 1.174 0.918 1.000 0.682 CA 1.497 23 residues pruned to eliminate duplicates Z: 41 55.461 2.203 1.088 0.732 0.975 0.800 CA 1.588 41 residues pruned to eliminate duplicates Z: 106 82.740 2.273 0.834 0.749 0.952 0.724 CB 1.629 106 residues pruned to eliminate duplicates Z: 24 43.200 2.147 1.167 0.918 0.957 0.652 CB 1.428 24 residues pruned to eliminate duplicates Z: 155 98.393 2.281 0.841 0.739 0.942 0.656 CB 1.619 155 residues pruned to eliminate duplicates Z: 76 77.993 2.287 0.895 0.791 0.973 0.813 CB 1.654 76 residues pruned to eliminate duplicates Z: 101 83.256 2.271 0.891 0.745 0.970 0.640 CB 1.605 101 residues pruned to eliminate duplicates Z: 86 67.866 2.269 0.816 0.714 0.906 0.718 CB 1.625 86 residues pruned to eliminate duplicates Z: 88 72.880 2.283 0.841 0.712 0.954 0.690 CB 1.608 88 residues pruned to eliminate duplicates Z: 56 62.212 2.291 0.845 0.721 0.964 0.818 CB 1.687 56 residues pruned to eliminate duplicates Z: 86 71.109 2.244 0.851 0.710 0.941 0.647 CB 1.630 86 residues pruned to eliminate duplicates Z: 57 60.452 2.283 0.824 0.709 0.964 0.750 CB 1.664 57 residues pruned to eliminate duplicates Z: 81 75.950 2.321 0.849 0.736 0.975 0.725 CB 1.642 81 residues pruned to eliminate duplicates Z: 80 75.020 2.286 0.946 0.692 0.975 0.696 CB 1.632 80 residues pruned to eliminate duplicates Z: 96 67.193 2.229 0.764 0.679 0.916 0.695 CB 1.623 96 residues pruned to eliminate duplicates Z: 82 64.922 2.273 0.750 0.709 0.926 0.716 CB 1.621 82 residues pruned to eliminate duplicates Z: 81 72.982 2.319 0.773 0.731 0.975 0.762 CB 1.654 81 residues pruned to eliminate duplicates Z: 76 76.358 2.280 0.886 0.783 0.987 0.800 CB 1.620 76 residues pruned to eliminate duplicates Z: 55 61.125 2.316 0.817 0.724 0.963 0.778 CB 1.678 55 residues pruned to eliminate duplicates Z: 80 71.644 2.312 0.825 0.736 0.949 0.734 CB 1.628 80 residues pruned to eliminate duplicates Z: 100 80.754 2.266 0.893 0.748 0.949 0.707 CB 1.598 100 residues pruned to eliminate duplicates Z: 54 60.967 2.334 0.751 0.721 0.981 0.774 CB 1.710 54 residues pruned to eliminate duplicates Z: 69 61.154 2.283 0.755 0.739 0.912 0.691 CB 1.638 69 residues pruned to eliminate duplicates Z: 43 50.419 2.287 0.662 0.732 0.976 0.833 CB 1.702 43 residues pruned to eliminate duplicates Z: 74 65.049 2.265 0.780 0.740 0.932 0.753 CB 1.635 74 residues pruned to eliminate duplicates Z: 91 72.115 2.289 0.731 0.708 0.967 0.722 CB 1.643 91 residues pruned to eliminate duplicates Z: 106 78.971 2.264 0.795 0.755 0.943 0.752 CB 1.602 106 residues pruned to eliminate duplicates Z: 106 85.651 2.271 0.909 0.771 0.962 0.714 CB 1.577 106 residues pruned to eliminate duplicates Z: 155 96.153 2.276 0.821 0.734 0.948 0.669 CB 1.598 155 residues pruned to eliminate duplicates Z: 100 85.779 2.275 0.905 0.757 0.990 0.737 CB 1.599 100 residues pruned to eliminate duplicates Z: 168 100.066 2.286 0.829 0.725 0.946 0.737 CB 1.598 169 residues pruned to eliminate duplicates Z: 30 44.874 2.254 0.579 0.878 1.000 0.793 CB 1.698 30 residues pruned to eliminate duplicates Z: 53 65.068 2.362 0.843 0.748 0.962 0.865 CB 1.727 53 residues pruned to eliminate duplicates Z: 64 54.274 2.281 0.691 0.780 0.873 0.683 CB 1.586 64 residues pruned to eliminate duplicates Z: 85 74.260 2.289 0.821 0.731 0.976 0.702 CB 1.617 85 residues pruned to eliminate duplicates Z: 84 72.074 2.302 0.801 0.728 0.964 0.699 CB 1.612 84 residues pruned to eliminate duplicates Z: 85 67.580 2.275 0.749 0.723 0.940 0.702 CB 1.611 85 residues pruned to eliminate duplicates Z: 68 59.786 2.244 0.753 0.742 0.955 0.627 CB 1.565 68 residues pruned to eliminate duplicates Z: 89 68.319 2.265 0.769 0.715 0.932 0.705 CB 1.606 89 residues pruned to eliminate duplicates Z: 74 77.561 2.315 0.914 0.797 0.959 0.753 CB 1.647 74 residues pruned to eliminate duplicates Z: 54 62.902 2.339 0.813 0.726 0.981 0.717 CB 1.695 54 residues pruned to eliminate duplicates Z: 67 68.509 2.322 0.855 0.771 0.939 0.742 CB 1.640 67 residues pruned to eliminate duplicates Z: 92 66.046 2.238 0.728 0.701 0.923 0.681 CB 1.615 92 residues pruned to eliminate duplicates Z: 83 70.746 2.297 0.789 0.736 0.939 0.622 CB 1.638 83 residues pruned to eliminate duplicates Z: 59 61.094 2.278 0.899 0.789 0.914 0.638 CB 1.575 59 residues pruned to eliminate duplicates Z: 110 85.132 2.299 0.891 0.734 0.927 0.670 CB 1.640 110 residues pruned to eliminate duplicates Z: 54 70.146 2.345 0.997 0.741 0.962 0.736 CB 1.723 54 residues pruned to eliminate duplicates Z: 71 64.377 2.254 0.835 0.741 0.943 0.557 CB 1.590 71 residues pruned to eliminate duplicates Z: 106 78.168 2.222 0.948 0.720 0.943 0.590 CB 1.531 106 residues pruned to eliminate duplicates Z: 69 70.127 2.277 0.915 0.758 0.956 0.559 CB 1.621 69 residues pruned to eliminate duplicates Z: 84 73.572 2.269 0.876 0.703 0.976 0.699 CB 1.616 84 residues pruned to eliminate duplicates Z: 104 86.257 2.269 0.970 0.774 0.951 0.699 CB 1.569 103 residues pruned to eliminate duplicates Z: 28 50.736 2.260 1.078 0.920 1.000 0.519 CB 1.465 28 residues pruned to eliminate duplicates Z: 83 74.488 2.296 0.889 0.730 0.963 0.634 CB 1.601 83 residues pruned to eliminate duplicates Z: 88 71.704 2.256 0.862 0.715 0.943 0.586 CB 1.598 88 residues pruned to eliminate duplicates Z: 85 75.111 2.294 0.919 0.733 0.952 0.619 CB 1.586 85 residues pruned to eliminate duplicates Z: 61 61.367 2.263 0.933 0.775 0.933 0.600 CB 1.521 61 residues pruned to eliminate duplicates Z: 107 87.471 2.258 0.907 0.768 0.981 0.670 CB 1.586 107 residues pruned to eliminate duplicates Z: 81 78.137 2.315 0.971 0.737 0.963 0.637 CB 1.609 81 residues pruned to eliminate duplicates Z: 81 76.590 2.304 0.896 0.740 0.975 0.738 CB 1.621 81 residues pruned to eliminate duplicates Z: 84 74.500 2.279 0.890 0.722 0.964 0.663 CB 1.612 84 residues pruned to eliminate duplicates Z: 35 34.818 2.135 0.802 0.670 0.941 0.529 CB 1.409 35 residues pruned to eliminate duplicates Z: 134 86.853 2.289 0.784 0.721 0.925 0.669 CB 1.633 134 residues pruned to eliminate duplicates Z: 134 94.483 2.287 0.938 0.706 0.947 0.654 CB 1.618 134 residues pruned to eliminate duplicates Z: 82 67.058 2.239 0.930 0.696 0.951 0.667 CB 1.517 82 residues pruned to eliminate duplicates Z: 135 90.324 2.291 0.824 0.716 0.940 0.694 CB 1.633 135 residues pruned to eliminate duplicates Z: 35 37.878 2.112 0.925 0.703 0.971 0.559 CB 1.369 35 residues pruned to eliminate duplicates Z: 131 87.872 2.296 0.845 0.704 0.923 0.615 CB 1.636 131 residues pruned to eliminate duplicates Z: 83 70.312 2.268 0.833 0.724 0.939 0.622 CB 1.625 83 residues pruned to eliminate duplicates Z: 81 81.760 2.323 1.025 0.746 0.963 0.588 CB 1.621 81 residues pruned to eliminate duplicates Z: 82 75.752 2.267 0.946 0.732 0.963 0.593 CB 1.609 82 residues pruned to eliminate duplicates Z: 110 86.481 2.259 0.972 0.740 0.963 0.606 CB 1.557 110 residues pruned to eliminate duplicates Z: 82 78.046 2.268 1.051 0.710 0.975 0.543 CB 1.580 82 residues pruned to eliminate duplicates Z: 83 76.240 2.300 0.903 0.726 0.963 0.659 CB 1.629 83 residues pruned to eliminate duplicates Z: 112 89.230 2.270 0.942 0.775 0.955 0.640 CB 1.577 112 residues pruned to eliminate duplicates Z: 87 79.341 2.275 1.004 0.713 0.977 0.605 CB 1.584 87 residues pruned to eliminate duplicates Z: 81 78.024 2.301 0.966 0.733 0.963 0.663 CB 1.625 81 residues pruned to eliminate duplicates Z: 87 73.435 2.263 0.918 0.726 0.930 0.698 CB 1.600 87 residues pruned to eliminate duplicates Z: 95 84.175 2.254 1.007 0.752 0.979 0.617 CB 1.566 95 residues pruned to eliminate duplicates Z: 79 63.475 2.206 0.966 0.670 0.923 0.603 CB 1.535 79 residues pruned to eliminate duplicates Z: 88 61.971 2.206 0.924 0.673 0.862 0.552 CB 1.548 88 residues pruned to eliminate duplicates Z: 76 65.657 2.228 0.928 0.694 0.920 0.760 CB 1.607 76 residues pruned to eliminate duplicates Z: 109 81.053 2.224 0.986 0.700 0.935 0.639 CB 1.573 109 residues pruned to eliminate duplicates Z: 52 54.153 2.279 0.952 0.692 0.902 0.627 CB 1.585 52 residues pruned to eliminate duplicates Z: 18 17.543 2.020 0.788 0.580 0.706 0.529 CA 1.545 18 residues pruned to eliminate duplicates Z: 90 70.854 2.262 0.878 0.695 0.933 0.652 CB 1.586 90 residues pruned to eliminate duplicates Z: 130 86.767 2.271 0.905 0.693 0.899 0.628 CB 1.647 130 residues pruned to eliminate duplicates Z: 129 93.000 2.280 0.982 0.703 0.945 0.680 CB 1.600 129 residues pruned to eliminate duplicates Z: 54 51.522 2.295 0.814 0.676 0.887 0.660 CB 1.630 54 residues pruned to eliminate duplicates Z: 71 64.573 2.293 0.873 0.722 0.929 0.643 CB 1.584 71 residues pruned to eliminate duplicates Z: 152 95.407 2.261 0.904 0.703 0.934 0.636 CB 1.605 152 residues pruned to eliminate duplicates Z: 52 48.509 2.281 0.721 0.672 0.902 0.725 CB 1.638 52 residues pruned to eliminate duplicates Z: 108 78.578 2.280 0.861 0.707 0.935 0.626 CB 1.587 108 residues pruned to eliminate duplicates Z: 44 51.345 2.297 1.004 0.698 0.860 0.767 CB 1.651 44 residues pruned to eliminate duplicates Z: 42 56.016 2.341 0.908 0.774 0.927 0.683 CB 1.658 42 residues pruned to eliminate duplicates Z: 47 52.963 2.227 0.955 0.741 0.913 0.652 CB 1.583 47 residues pruned to eliminate duplicates Z: 56 50.567 2.199 0.772 0.679 0.927 0.636 CB 1.600 56 residues pruned to eliminate duplicates Z: 47 52.148 2.279 0.882 0.683 0.913 0.739 CB 1.659 47 residues pruned to eliminate duplicates Z: 45 54.845 2.304 1.027 0.690 0.932 0.682 CB 1.596 45 residues pruned to eliminate duplicates Z: 42 65.379 2.339 1.038 0.768 0.976 0.707 CB 1.732 42 residues pruned to eliminate duplicates Z: 118 99.025 2.291 0.988 0.771 0.966 0.675 CB 1.638 118 residues pruned to eliminate duplicates Z: 54 55.055 2.263 0.890 0.694 0.925 0.755 CB 1.602 54 residues pruned to eliminate duplicates Z: 29 37.944 2.226 0.731 0.752 0.929 0.750 CB 1.600 29 residues pruned to eliminate duplicates Z: 59 57.259 2.284 0.861 0.693 0.914 0.655 CB 1.624 59 residues pruned to eliminate duplicates Z: 42 55.994 2.318 0.900 0.754 0.976 0.634 CB 1.623 42 residues pruned to eliminate duplicates Z: 52 53.382 2.250 0.928 0.661 0.902 0.627 CB 1.645 52 residues pruned to eliminate duplicates Z: 53 55.576 2.277 0.982 0.696 0.904 0.635 CB 1.580 53 residues pruned to eliminate duplicates Z: 43 62.415 2.306 1.066 0.732 0.952 0.738 CB 1.724 43 residues pruned to eliminate duplicates Z: 44 57.294 2.304 1.055 0.687 0.930 0.581 CB 1.672 44 residues pruned to eliminate duplicates Z: 43 60.942 2.332 1.015 0.706 0.976 0.619 CB 1.700 43 residues pruned to eliminate duplicates Z: 52 60.196 2.266 1.023 0.713 0.941 0.706 CB 1.611 52 residues pruned to eliminate duplicates Z: 41 64.005 2.355 1.127 0.737 0.975 0.650 CB 1.675 41 residues pruned to eliminate duplicates Z: 49 56.419 2.278 0.963 0.646 0.938 0.521 CB 1.694 49 residues pruned to eliminate duplicates Z: 50 58.310 2.319 1.014 0.691 0.918 0.531 CB 1.630 50 residues pruned to eliminate duplicates Z: 52 76.804 2.352 1.139 0.814 0.980 0.745 CB 1.659 52 residues pruned to eliminate duplicates Z: 57 62.485 2.266 1.063 0.745 0.929 0.607 CB 1.545 57 residues pruned to eliminate duplicates Z: 37 41.245 2.201 1.103 0.639 0.889 0.583 CB 1.466 37 residues pruned to eliminate duplicates Z: 47 53.481 2.275 1.019 0.666 0.891 0.457 CB 1.652 47 residues pruned to eliminate duplicates Z: 50 58.032 2.287 1.044 0.695 0.918 0.633 CB 1.616 50 residues pruned to eliminate duplicates Z: 50 70.319 2.288 1.086 0.819 0.959 0.694 CB 1.663 50 residues pruned to eliminate duplicates Z: 46 59.325 2.292 1.072 0.669 0.933 0.489 CB 1.707 46 residues pruned to eliminate duplicates Z: 19 32.295 2.291 0.924 0.705 0.889 0.667 CB 1.612 19 residues pruned to eliminate duplicates Z: 41 70.006 2.381 1.213 0.742 0.975 0.650 CB 1.734 41 residues pruned to eliminate duplicates Z: 42 58.361 2.334 1.086 0.713 0.927 0.585 CB 1.665 42 residues pruned to eliminate duplicates Z: 30 50.451 2.297 1.084 0.742 0.966 0.793 CB 1.632 30 residues pruned to eliminate duplicates Z: 38 62.004 2.375 1.153 0.735 0.946 0.730 CB 1.707 38 residues pruned to eliminate duplicates Z: 165 112.937 2.289 1.028 0.764 0.939 0.622 CB 1.600 166 residues pruned to eliminate duplicates Z: 22 57.515 2.358 1.168 0.952 1.000 0.714 CA 1.690 22 residues pruned to eliminate duplicates Z: 37 68.804 2.406 1.263 0.763 0.944 0.667 CA 1.765 37 residues pruned to eliminate duplicates Z: 53 70.999 2.320 1.057 0.801 0.981 0.750 CB 1.617 53 residues pruned to eliminate duplicates Z: 78 75.575 2.256 1.107 0.773 0.948 0.688 CB 1.501 82 residues pruned to eliminate duplicates Z: 23 57.477 2.344 1.192 0.956 1.000 0.727 CA 1.638 23 residues pruned to eliminate duplicates Z: 55 72.022 2.271 1.181 0.790 0.944 0.722 CB 1.624 55 residues pruned to eliminate duplicates Z: 144 106.241 2.293 1.068 0.750 0.930 0.657 CB 1.612 144 residues pruned to eliminate duplicates Z: 14 19.266 2.041 0.971 0.677 0.769 0.692 CA 1.467 14 residues pruned to eliminate duplicates Z: 13 26.922 2.018 1.188 0.759 0.917 0.833 CA 1.525 13 residues pruned to eliminate duplicates Z: 14 23.833 2.094 1.062 0.693 0.846 0.615 CB 1.516 14 residues pruned to eliminate duplicates Z: 13 25.610 2.102 1.158 0.753 0.833 0.667 CA 1.561 13 residues pruned to eliminate duplicates Z: 13 25.664 2.099 1.177 0.768 0.833 0.750 CA 1.534 13 residues pruned to eliminate duplicates Z: 52 60.663 2.288 1.073 0.734 0.902 0.627 CB 1.609 52 residues pruned to eliminate duplicates Z: 13 26.849 2.194 1.194 0.763 0.833 0.833 CA 1.530 13 residues pruned to eliminate duplicates Z: 37 35.106 2.097 0.864 0.737 0.889 0.611 CB 1.362 37 residues pruned to eliminate duplicates Z: 14 26.737 2.006 1.242 0.698 0.923 0.692 CB 1.491 14 residues pruned to eliminate duplicates Z: 38 32.378 2.111 0.867 0.691 0.865 0.703 CB 1.312 38 residues pruned to eliminate duplicates Z: 36 34.053 2.124 0.930 0.724 0.857 0.714 CB 1.338 36 residues pruned to eliminate duplicates Z: 37 34.324 2.107 0.894 0.717 0.861 0.750 CB 1.368 37 residues pruned to eliminate duplicates Z: 25 22.933 2.044 0.685 0.756 0.875 0.750 CB 1.237 25 residues pruned to eliminate duplicates Z: 24 27.089 2.150 0.644 0.817 0.957 0.652 CB 1.269 24 residues pruned to eliminate duplicates Z: 24 31.650 2.159 0.839 0.823 0.957 0.739 CB 1.313 25 residues pruned to eliminate duplicates Z: 21 33.286 2.208 0.946 0.943 1.000 0.500 CB 1.201 21 residues pruned to eliminate duplicates Z: 28 25.493 2.041 0.894 0.701 0.926 0.630 CB 1.141 28 residues pruned to eliminate duplicates Z: 24 31.106 2.147 0.986 0.783 0.957 0.783 CB 1.240 24 residues pruned to eliminate duplicates Z: 24 28.993 2.153 0.895 0.786 0.957 0.783 CB 1.205 24 residues pruned to eliminate duplicates Z: 24 29.230 2.142 0.931 0.784 0.957 0.565 CB 1.199 24 residues pruned to eliminate duplicates Z: 24 25.793 2.127 0.819 0.782 0.913 0.696 CB 1.187 24 residues pruned to eliminate duplicates Z: 23 30.638 2.203 0.861 0.819 0.955 0.773 CB 1.266 23 residues pruned to eliminate duplicates Z: 23 32.032 2.209 0.869 0.825 1.000 0.773 CB 1.248 23 residues pruned to eliminate duplicates Z: 24 29.620 2.141 1.005 0.780 0.957 0.783 CB 1.175 24 residues pruned to eliminate duplicates Z: 25 27.101 2.107 0.935 0.750 0.917 0.625 CB 1.185 25 residues pruned to eliminate duplicates Z: 24 28.776 2.147 0.899 0.784 0.957 0.565 CB 1.199 24 residues pruned to eliminate duplicates Z: 24 32.829 2.143 1.047 0.774 1.000 0.565 CB 1.225 24 residues pruned to eliminate duplicates Z: 23 35.596 2.207 1.030 0.816 1.000 0.636 CB 1.287 23 residues pruned to eliminate duplicates Z: 19 35.284 2.229 1.066 0.946 1.000 0.667 CB 1.249 19 residues pruned to eliminate duplicates Z: 24 30.283 2.149 0.765 0.827 0.957 0.826 CB 1.312 24 residues pruned to eliminate duplicates Z: 24 27.002 2.141 0.637 0.822 0.957 0.913 CB 1.271 24 residues pruned to eliminate duplicates Z: 25 23.288 2.066 0.634 0.752 0.917 0.792 CB 1.227 25 residues pruned to eliminate duplicates Z: 25 27.368 2.102 0.793 0.781 0.958 0.792 CB 1.207 25 residues pruned to eliminate duplicates 189 residues left after pruning, divided into chains as follows: A: 189 CC for partial structure against native data = 49.47 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 4 used as input for final density modification = 0.300, Contrast = 0.461, Connect. = 0.776 for dens.mod. cycle 1 = 0.300, Contrast = 0.521, Connect. = 0.796 for dens.mod. cycle 2 = 0.300, Contrast = 0.615, Connect. = 0.813 for dens.mod. cycle 3 = 0.300, Contrast = 0.621, Connect. = 0.813 for dens.mod. cycle 4 = 0.300, Contrast = 0.630, Connect. = 0.814 for dens.mod. cycle 5 = 0.300, Contrast = 0.634, Connect. = 0.815 for dens.mod. cycle 6 = 0.300, Contrast = 0.639, Connect. = 0.816 for dens.mod. cycle 7 = 0.300, Contrast = 0.642, Connect. = 0.816 for dens.mod. cycle 8 = 0.300, Contrast = 0.644, Connect. = 0.817 for dens.mod. cycle 9 = 0.300, Contrast = 0.646, Connect. = 0.817 for dens.mod. cycle 10 TimeTaking 77.5