++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 15:09:47 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: ./2hcf-1.8-parrot-hancs/2hcf-1.8-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2hcf-1.8-parrot-hancs/2hcf-1.8-parrot-hancs.ins Phases from ./2hcf-1.8-parrot-hancs/2hcf-1.8-parrot-hancs.phi Native data from ./2hcf-1.8-parrot-hancs/2hcf-1.8-parrot-hancs.hkl Listing output to ./2hcf-1.8-parrot-hancs/2hcf-1.8-parrot-hancs.lst Phases output to ./2hcf-1.8-parrot-hancs/2hcf-1.8-parrot-hancs.phs Poly-Ala trace output to ./2hcf-1.8-parrot-hancs/2hcf-1.8-parrot-hancs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 21 21 21 Allowed origin shift code: 4 21064 Reflections read from file ./2hcf-1.8-parrot-hancs/2hcf-1.8-parrot-hancs.phi 21064 Reflections read from file ./2hcf-1.8-parrot-hancs/2hcf-1.8-parrot-hancs.hkl 21064 Unique data, highest resolution = 1.800 Angstroms Anisotropic scaling: intensities multiplied by -0.001020h^2 +0.000385k^2 -0.000009l^2 +0.000000kl +0.000000hl +0.000000hk 85 Reflections with d > 2.000 and 0 in range 2.000 > d > 1.800 added Density sharpening factor set to 1.05 Fourier grid = 64 x 128 x 35 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.652 ** -f missing ?? ** = 0.300, Contrast = 0.291, Connect. = 0.688 for dens.mod. cycle 1 = 0.300, Contrast = 0.371, Connect. = 0.708 for dens.mod. cycle 2 = 0.300, Contrast = 0.450, Connect. = 0.735 for dens.mod. cycle 3 = 0.300, Contrast = 0.474, Connect. = 0.742 for dens.mod. cycle 4 = 0.300, Contrast = 0.487, Connect. = 0.746 for dens.mod. cycle 5 = 0.300, Contrast = 0.496, Connect. = 0.748 for dens.mod. cycle 6 = 0.300, Contrast = 0.503, Connect. = 0.750 for dens.mod. cycle 7 = 0.300, Contrast = 0.508, Connect. = 0.752 for dens.mod. cycle 8 = 0.300, Contrast = 0.513, Connect. = 0.753 for dens.mod. cycle 9 = 0.300, Contrast = 0.516, Connect. = 0.754 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1224 peaks > 0.5 sigma used to seed fragment search Space for about 247 unique residues taking solvent into account 249 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 21.718 1.879 0.749 0.818 1.000 0.737 CB 1.150 B: 23 24.318 2.044 0.591 0.876 1.000 0.818 CB 1.159 20 residues pruned to eliminate duplicates C: 23 28.282 2.041 0.857 0.889 1.000 0.773 CB 1.145 23 residues pruned to eliminate duplicates D: 23 24.697 2.030 0.821 0.859 0.955 0.818 CB 1.098 23 residues pruned to eliminate duplicates E: 8 14.802 1.817 0.695 0.865 1.000 0.714 CA 1.332 F: 12 12.855 1.862 0.447 0.882 0.909 0.727 CB 1.145 G: 13 16.016 1.969 0.700 0.518 0.917 0.667 CB 1.479 3 residues pruned to eliminate duplicates H: 10 17.340 2.082 0.327 0.863 1.000 1.000 CB 1.534 I: 21 24.886 2.079 0.666 0.874 1.000 0.750 CB 1.170 21 residues pruned to eliminate duplicates J: 25 30.441 1.979 0.869 0.883 1.000 0.875 CB 1.215 23 residues pruned to eliminate duplicates K: 18 22.045 1.902 0.525 0.875 0.941 0.882 CA 1.424 L: 17 26.364 1.904 0.748 0.897 1.000 0.875 CA 1.418 18 residues pruned to eliminate duplicates M: 17 18.328 1.945 0.721 0.546 0.875 0.500 CB 1.496 8 residues pruned to eliminate duplicates N: 23 22.837 2.016 0.769 0.879 0.864 0.818 CB 1.147 23 residues pruned to eliminate duplicates O: 23 22.998 2.010 0.732 0.867 0.955 0.682 CB 1.079 23 residues pruned to eliminate duplicates P: 18 27.336 1.898 0.673 0.880 1.000 0.765 CA 1.513 17 residues pruned to eliminate duplicates Q: 16 23.419 1.983 0.617 0.860 0.933 0.867 CB 1.485 16 residues pruned to eliminate duplicates R: 11 18.234 2.041 0.615 0.859 0.900 0.800 CB 1.430 10 residues pruned to eliminate duplicates S: 22 25.205 2.032 0.799 0.879 1.000 0.714 CB 1.091 22 residues pruned to eliminate duplicates T: 18 26.247 1.938 0.515 0.907 1.000 0.706 CA 1.541 18 residues pruned to eliminate duplicates U: 20 10.735 1.786 0.816 0.346 0.789 0.316 CB 1.137 4 residues pruned to eliminate duplicates V: 11 11.116 1.844 0.310 0.795 1.000 0.800 CB 1.124 W: 14 13.856 1.850 0.387 0.891 0.923 0.692 CB 1.167 11 residues pruned to eliminate duplicates X: 13 17.886 1.936 0.838 0.890 0.917 0.750 CB 1.139 Y: 16 18.244 1.923 0.328 0.859 0.933 0.800 CB 1.454 16 residues pruned to eliminate duplicates Z: 34 25.821 1.959 0.657 0.522 0.939 0.606 CB 1.442 32 residues pruned to eliminate duplicates Z: 8 13.392 1.843 0.777 0.870 0.857 0.571 CB 1.316 8 residues pruned to eliminate duplicates Z: 7 6.174 1.724 0.556 0.518 0.833 0.833 CB 1.108 Z: 10 15.898 1.903 0.694 0.912 1.000 0.889 CB 1.164 Z: 12 18.195 2.040 0.545 0.818 1.000 0.545 CB 1.320 Z: 8 8.598 1.872 0.373 0.660 0.857 0.571 CA 1.271 9 residues pruned to eliminate duplicates Z: 16 22.996 1.925 0.676 0.876 0.933 0.867 CB 1.433 16 residues pruned to eliminate duplicates Z: 14 20.077 1.965 0.411 0.912 1.000 0.846 CB 1.423 14 residues pruned to eliminate duplicates Z: 10 8.699 1.770 0.478 0.764 0.889 0.556 CB 0.987 9 residues pruned to eliminate duplicates Z: 14 13.810 1.858 0.606 0.865 1.000 0.692 CB 0.940 14 residues pruned to eliminate duplicates Z: 11 21.289 2.077 0.760 0.879 0.900 0.600 CB 1.484 11 residues pruned to eliminate duplicates Z: 8 7.932 1.655 0.853 0.550 0.857 0.571 CA 1.086 8 residues pruned to eliminate duplicates Z: 9 13.829 1.782 0.625 0.874 1.000 0.750 CA 1.229 8 residues pruned to eliminate duplicates Z: 11 22.309 2.081 0.636 0.892 1.000 0.800 CB 1.488 11 residues pruned to eliminate duplicates Z: 24 26.688 1.977 0.735 0.875 1.000 0.913 CB 1.180 24 residues pruned to eliminate duplicates Z: 12 16.140 1.963 0.639 0.798 0.909 0.727 CB 1.281 12 residues pruned to eliminate duplicates Z: 12 18.226 1.947 0.678 0.781 0.909 0.727 CB 1.445 12 residues pruned to eliminate duplicates Z: 8 12.833 1.806 0.439 0.883 1.000 0.857 CA 1.350 8 residues pruned to eliminate duplicates Z: 10 11.924 1.899 0.595 0.823 0.889 0.778 CB 1.116 10 residues pruned to eliminate duplicates Z: 12 14.148 1.920 0.584 0.827 0.909 0.818 CB 1.163 12 residues pruned to eliminate duplicates Z: 71 30.516 1.937 0.521 0.637 0.929 0.614 CB 1.172 60 residues pruned to eliminate duplicates Z: 51 23.841 1.883 0.620 0.468 0.900 0.520 CB 1.269 51 residues pruned to eliminate duplicates Z: 13 14.930 1.895 0.737 0.894 0.833 0.667 CB 1.127 13 residues pruned to eliminate duplicates Z: 24 24.831 2.022 0.630 0.831 1.000 0.652 CB 1.181 24 residues pruned to eliminate duplicates Z: 23 27.068 2.030 0.840 0.860 1.000 0.545 CB 1.136 23 residues pruned to eliminate duplicates Z: 10 13.042 1.925 0.391 0.906 1.000 0.667 CB 1.155 10 residues pruned to eliminate duplicates Z: 8 5.715 1.419 0.505 0.647 0.857 0.429 CA 1.029 Z: 10 13.109 2.030 0.210 0.849 1.000 0.889 CB 1.318 10 residues pruned to eliminate duplicates Z: 53 30.224 2.015 0.532 0.674 0.923 0.712 CB 1.253 54 residues pruned to eliminate duplicates Z: 17 27.437 1.922 0.814 0.912 0.938 0.875 CA 1.487 18 residues pruned to eliminate duplicates Z: 9 12.420 1.980 0.267 0.914 1.000 0.500 CB 1.238 9 residues pruned to eliminate duplicates Z: 23 15.629 1.923 0.373 0.649 0.955 0.682 CB 1.151 23 residues pruned to eliminate duplicates Z: 10 11.680 1.897 0.308 0.910 1.000 0.778 CB 1.113 10 residues pruned to eliminate duplicates Z: 19 11.000 1.850 0.222 0.661 1.000 0.667 CB 0.987 19 residues pruned to eliminate duplicates Z: 11 16.731 2.047 0.853 0.902 0.900 0.600 CB 1.105 11 residues pruned to eliminate duplicates Z: 6 7.014 1.681 0.387 0.555 1.000 0.600 CB 1.275 6 residues pruned to eliminate duplicates Z: 13 9.704 1.560 0.329 0.865 1.000 0.667 CB 0.990 11 residues pruned to eliminate duplicates Z: 6 6.714 1.700 0.451 0.686 1.000 0.600 CA 1.026 7 residues pruned to eliminate duplicates Z: 10 12.884 1.891 0.307 0.912 1.000 1.000 CB 1.230 10 residues pruned to eliminate duplicates Z: 11 15.317 1.922 0.509 0.815 0.900 0.600 CA 1.411 11 residues pruned to eliminate duplicates Z: 12 19.588 2.050 0.800 0.908 0.909 0.727 CB 1.250 12 residues pruned to eliminate duplicates Z: 24 29.827 2.041 0.924 0.874 1.000 0.652 CB 1.153 24 residues pruned to eliminate duplicates Z: 45 23.856 1.975 0.551 0.492 0.886 0.591 CB 1.336 45 residues pruned to eliminate duplicates Z: 12 8.100 1.726 0.510 0.527 0.818 0.455 CB 1.115 Z: 8 11.231 1.743 0.819 0.860 0.857 0.714 CA 1.149 8 residues pruned to eliminate duplicates Z: 7 9.354 1.659 0.637 0.694 1.000 0.833 CA 1.178 6 residues pruned to eliminate duplicates Z: 24 28.275 2.031 0.831 0.864 1.000 0.783 CB 1.163 24 residues pruned to eliminate duplicates Z: 12 17.750 1.905 0.614 0.830 1.000 0.727 CB 1.308 12 residues pruned to eliminate duplicates Z: 32 20.805 1.897 1.059 0.540 0.839 0.387 CB 1.096 19 residues pruned to eliminate duplicates Z: 10 13.888 1.770 0.810 0.850 1.000 0.556 CB 1.070 10 residues pruned to eliminate duplicates Z: 6 7.395 1.570 0.359 0.864 1.000 0.800 CB 1.136 6 residues pruned to eliminate duplicates Z: 22 28.883 2.059 0.919 0.874 1.000 0.857 CB 1.161 22 residues pruned to eliminate duplicates Z: 22 28.171 2.058 0.816 0.880 1.000 0.762 CB 1.192 22 residues pruned to eliminate duplicates Z: 23 28.689 2.032 1.056 0.864 0.955 0.727 CB 1.125 23 residues pruned to eliminate duplicates Z: 76 35.754 1.987 0.621 0.638 0.933 0.667 CB 1.207 75 residues pruned to eliminate duplicates Z: 16 20.762 1.927 0.385 0.922 1.000 1.000 CB 1.413 16 residues pruned to eliminate duplicates Z: 16 23.645 1.948 0.547 0.869 1.000 0.600 CB 1.480 16 residues pruned to eliminate duplicates Z: 7 3.610 1.818 0.202 0.582 0.833 0.833 CB 0.748 7 residues pruned to eliminate duplicates Z: 41 26.461 2.019 0.570 0.545 0.925 0.575 CB 1.365 41 residues pruned to eliminate duplicates Z: 10 8.935 1.632 0.559 0.701 0.889 0.444 CA 1.097 10 residues pruned to eliminate duplicates Z: 11 23.854 2.031 0.803 0.929 1.000 0.800 CB 1.441 11 residues pruned to eliminate duplicates Z: 24 21.117 2.032 0.445 0.585 1.000 0.609 CB 1.382 24 residues pruned to eliminate duplicates Z: 9 12.555 1.898 0.769 0.550 1.000 0.500 CA 1.259 10 residues pruned to eliminate duplicates Z: 22 11.108 1.740 0.566 0.618 0.762 0.476 CB 1.044 22 residues pruned to eliminate duplicates Z: 18 8.227 1.800 0.272 0.608 0.941 0.765 CB 0.835 18 residues pruned to eliminate duplicates Z: 9 3.070 1.834 -0.010 0.346 0.875 0.875 CB 0.807 9 residues pruned to eliminate duplicates Z: 11 13.182 1.864 0.447 0.908 1.000 1.000 CB 1.098 11 residues pruned to eliminate duplicates Z: 8 13.431 1.824 0.523 0.853 1.000 0.714 CA 1.351 8 residues pruned to eliminate duplicates Z: 11 11.938 1.813 0.484 0.893 1.000 0.800 CB 1.008 11 residues pruned to eliminate duplicates Z: 23 26.447 2.067 0.649 0.847 1.000 0.727 CB 1.228 23 residues pruned to eliminate duplicates Z: 17 23.325 1.873 0.673 0.913 0.938 0.625 CB 1.404 17 residues pruned to eliminate duplicates Z: 8 12.313 1.790 0.686 0.864 1.000 0.857 CB 1.130 8 residues pruned to eliminate duplicates Z: 17 25.095 1.911 0.651 0.922 1.000 1.000 CA 1.398 17 residues pruned to eliminate duplicates Z: 10 12.801 1.913 0.317 0.907 1.000 1.000 CB 1.203 10 residues pruned to eliminate duplicates Z: 13 10.313 1.678 0.592 0.754 0.833 0.417 CB 1.067 13 residues pruned to eliminate duplicates Z: 13 15.389 1.986 0.701 0.461 1.000 0.583 CB 1.369 13 residues pruned to eliminate duplicates Z: 12 7.741 1.783 0.691 0.537 0.818 0.636 CB 0.912 12 residues pruned to eliminate duplicates Z: 27 22.793 1.898 0.738 0.572 0.923 0.538 CB 1.369 27 residues pruned to eliminate duplicates Z: 74 35.461 1.986 0.711 0.666 0.890 0.644 CB 1.177 74 residues pruned to eliminate duplicates Z: 12 18.117 1.976 0.830 0.831 0.909 0.545 CB 1.249 12 residues pruned to eliminate duplicates Z: 12 19.651 1.966 0.520 0.892 1.000 0.818 CB 1.424 12 residues pruned to eliminate duplicates Z: 11 12.494 1.692 0.766 0.776 0.900 0.600 CB 1.151 11 residues pruned to eliminate duplicates Z: 17 22.206 1.916 0.504 0.873 0.938 0.625 CB 1.497 17 residues pruned to eliminate duplicates Z: 44 26.795 1.949 0.688 0.648 0.884 0.488 CB 1.224 44 residues pruned to eliminate duplicates Z: 13 11.447 1.872 0.391 0.815 0.833 0.500 CB 1.158 13 residues pruned to eliminate duplicates Z: 10 3.760 1.759 0.077 0.448 0.889 0.556 CB 0.785 10 residues pruned to eliminate duplicates Z: 14 17.602 1.879 0.617 0.898 1.000 0.692 CB 1.150 14 residues pruned to eliminate duplicates Z: 6 7.370 2.020 0.531 0.673 0.600 0.600 CA 1.514 6 residues pruned to eliminate duplicates Z: 6 6.578 1.726 0.266 0.780 0.800 0.600 CB 1.315 Z: 11 18.521 2.011 1.066 0.883 0.800 0.500 CB 1.274 11 residues pruned to eliminate duplicates Z: 11 5.978 1.744 0.237 0.470 1.000 0.600 CB 0.904 11 residues pruned to eliminate duplicates Z: 16 13.659 1.701 0.402 0.912 1.000 0.867 CB 1.048 16 residues pruned to eliminate duplicates Z: 46 25.357 2.000 0.428 0.540 0.956 0.667 CB 1.333 46 residues pruned to eliminate duplicates Z: 13 9.251 1.817 0.272 0.887 0.917 0.833 CB 0.909 13 residues pruned to eliminate duplicates Z: 6 11.023 1.671 1.074 0.644 1.000 0.400 CB 1.243 12 residues pruned to eliminate duplicates Z: 7 6.002 1.693 0.483 0.573 1.000 0.667 CB 0.910 7 residues pruned to eliminate duplicates Z: 20 17.365 1.862 0.489 0.798 0.895 0.474 CB 1.237 20 residues pruned to eliminate duplicates Z: 10 4.955 1.621 0.289 0.536 0.778 0.778 CB 0.981 10 residues pruned to eliminate duplicates Z: 10 10.572 1.728 0.846 0.863 1.000 0.667 CB 0.810 10 residues pruned to eliminate duplicates Z: 7 7.111 1.690 0.202 0.895 1.000 0.833 CB 1.024 7 residues pruned to eliminate duplicates Z: 13 11.078 1.824 0.180 0.596 0.917 0.583 CA 1.479 13 residues pruned to eliminate duplicates Z: 11 13.288 1.801 0.501 0.727 0.900 0.600 CA 1.407 11 residues pruned to eliminate duplicates Z: 9 8.901 1.684 0.315 0.806 1.000 0.500 CA 1.088 9 residues pruned to eliminate duplicates Z: 11 5.784 1.624 0.405 0.450 1.000 0.400 CB 0.844 11 residues pruned to eliminate duplicates Z: 27 16.146 1.917 0.570 0.636 0.885 0.577 CB 1.047 27 residues pruned to eliminate duplicates Z: 24 23.601 1.991 0.624 0.875 0.957 0.826 CB 1.157 24 residues pruned to eliminate duplicates Z: 24 27.489 2.008 0.791 0.875 1.000 0.783 CB 1.160 24 residues pruned to eliminate duplicates Z: 9 16.010 1.926 0.617 0.905 1.000 0.875 CB 1.293 11 residues pruned to eliminate duplicates Z: 20 13.032 1.920 0.664 0.570 0.684 0.474 CB 1.277 20 residues pruned to eliminate duplicates Z: 34 20.704 1.962 0.497 0.516 0.879 0.485 CB 1.374 34 residues pruned to eliminate duplicates Z: 20 12.300 1.874 0.378 0.496 0.789 0.684 CB 1.389 20 residues pruned to eliminate duplicates Z: 24 25.055 2.005 0.828 0.896 1.000 0.696 CB 1.022 24 residues pruned to eliminate duplicates 6 1.576 1.304 0.557 0.306 0.800 0.600 CB 0.539 ? Z: 14 13.908 1.839 0.377 0.902 1.000 0.692 CB 1.086 14 residues pruned to eliminate duplicates Z: 9 9.294 1.811 0.259 0.886 1.000 1.000 CB 1.040 9 residues pruned to eliminate duplicates Z: 40 27.602 1.989 0.769 0.651 0.923 0.692 CB 1.182 40 residues pruned to eliminate duplicates Z: 24 26.078 2.013 0.655 0.874 1.000 0.739 CB 1.188 24 residues pruned to eliminate duplicates Z: 9 14.372 1.814 0.852 0.879 1.000 0.375 CB 1.097 9 residues pruned to eliminate duplicates Z: 12 12.800 1.911 0.173 0.857 1.000 0.545 CB 1.269 12 residues pruned to eliminate duplicates Z: 9 8.760 1.929 0.323 0.886 1.000 0.500 CB 0.875 9 residues pruned to eliminate duplicates Z: 17 7.103 1.718 0.319 0.236 0.875 0.500 CB 1.216 7 residues pruned to eliminate duplicates Z: 24 23.684 1.929 0.722 0.864 0.913 0.783 CB 1.193 24 residues pruned to eliminate duplicates Z: 31 24.133 2.006 0.577 0.735 0.967 0.667 CB 1.167 31 residues pruned to eliminate duplicates Z: 9 15.232 1.754 0.831 0.853 1.000 0.750 CB 1.240 9 residues pruned to eliminate duplicates Z: 9 10.567 1.924 0.305 0.891 1.000 1.000 CB 1.070 9 residues pruned to eliminate duplicates Z: 14 7.109 1.673 0.323 0.535 0.923 0.846 CA 0.932 14 residues pruned to eliminate duplicates Z: 6 2.067 1.255 0.532 0.312 0.800 0.600 N 0.740 Z: 15 18.973 1.787 0.606 0.885 0.929 0.929 CB 1.374 15 residues pruned to eliminate duplicates Z: 15 17.159 1.843 0.561 0.898 1.000 0.857 CB 1.140 15 residues pruned to eliminate duplicates Z: 73 29.640 1.939 0.628 0.667 0.889 0.639 CB 1.067 73 residues pruned to eliminate duplicates Z: 17 13.991 1.753 0.566 0.659 0.938 0.562 CA 1.172 17 residues pruned to eliminate duplicates Z: 13 9.051 1.740 0.007 0.886 1.000 0.917 CB 1.076 13 residues pruned to eliminate duplicates Z: 24 24.279 1.978 0.802 0.868 0.957 0.826 CB 1.086 24 residues pruned to eliminate duplicates Z: 11 17.906 2.046 0.753 0.868 0.900 0.700 CB 1.283 11 residues pruned to eliminate duplicates Z: 11 15.138 1.785 0.512 0.901 1.000 0.800 CB 1.266 11 residues pruned to eliminate duplicates Z: 16 17.346 1.922 0.968 0.589 1.000 0.800 CB 1.088 16 residues pruned to eliminate duplicates Z: 7 7.421 1.849 0.216 0.592 0.833 0.667 CA 1.481 7 residues pruned to eliminate duplicates Z: 9 10.792 1.702 0.549 0.874 0.875 0.500 CB 1.204 9 residues pruned to eliminate duplicates Z: 31 18.146 1.887 0.640 0.549 1.000 0.833 CB 1.021 31 residues pruned to eliminate duplicates Z: 22 21.289 1.967 0.679 0.836 1.000 0.810 CB 1.053 22 residues pruned to eliminate duplicates Z: 12 11.389 2.064 0.625 0.470 0.818 0.364 CB 1.290 12 residues pruned to eliminate duplicates Z: 6 9.303 1.901 0.330 0.760 1.000 1.000 CB 1.305 6 residues pruned to eliminate duplicates 212 residues left after pruning, divided into chains as follows: A: 17 B: 6 C: 44 D: 18 E: 102 F: 25 CC for partial structure against native data = 40.07 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.356, Connect. = 0.689 for dens.mod. cycle 1 = 0.300, Contrast = 0.408, Connect. = 0.714 for dens.mod. cycle 2 = 0.300, Contrast = 0.491, Connect. = 0.746 for dens.mod. cycle 3 = 0.300, Contrast = 0.496, Connect. = 0.747 for dens.mod. cycle 4 = 0.300, Contrast = 0.506, Connect. = 0.749 for dens.mod. cycle 5 = 0.300, Contrast = 0.510, Connect. = 0.752 for dens.mod. cycle 6 = 0.300, Contrast = 0.517, Connect. = 0.754 for dens.mod. cycle 7 = 0.300, Contrast = 0.519, Connect. = 0.755 for dens.mod. cycle 8 = 0.300, Contrast = 0.523, Connect. = 0.755 for dens.mod. cycle 9 = 0.300, Contrast = 0.525, Connect. = 0.756 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1201 peaks > 0.5 sigma used to seed fragment search Space for about 247 unique residues taking solvent into account 252 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 22.637 2.214 0.854 0.876 0.909 0.273 CB 1.329 B: 56 37.441 2.122 0.678 0.565 0.945 0.509 CB 1.409 12 residues pruned to eliminate duplicates C: 62 45.357 2.179 0.704 0.736 0.934 0.557 CB 1.354 21 residues pruned to eliminate duplicates D: 30 34.505 2.240 0.695 0.714 1.000 0.862 CB 1.390 30 residues pruned to eliminate duplicates E: 25 32.905 2.139 0.698 0.853 1.000 0.792 CB 1.366 25 residues pruned to eliminate duplicates F: 11 23.696 2.227 0.504 0.896 1.000 0.900 CB 1.602 G: 12 31.698 2.224 0.847 0.880 1.000 0.636 CB 1.686 12 residues pruned to eliminate duplicates H: 26 28.731 2.083 0.564 0.831 0.960 0.760 CB 1.381 26 residues pruned to eliminate duplicates I: 33 25.305 2.118 0.696 0.535 0.844 0.500 CB 1.426 29 residues pruned to eliminate duplicates J: 15 20.658 2.016 0.536 0.797 0.929 0.643 CA 1.481 15 residues pruned to eliminate duplicates K: 61 40.004 2.137 0.588 0.649 0.967 0.700 CB 1.371 61 residues pruned to eliminate duplicates L: 16 26.789 2.121 0.634 0.873 0.933 0.733 CA 1.557 M: 13 10.415 1.702 0.833 0.587 0.917 0.583 CB 0.967 N: 19 25.698 2.094 0.689 0.843 0.889 0.722 CB 1.435 19 residues pruned to eliminate duplicates O: 17 17.502 1.955 0.303 0.858 0.938 0.688 CB 1.349 P: 13 22.282 2.135 0.767 0.856 0.917 0.583 CB 1.372 13 residues pruned to eliminate duplicates Q: 12 19.073 2.133 0.439 0.893 1.000 0.727 CB 1.345 12 residues pruned to eliminate duplicates R: 6 11.175 2.018 0.956 0.685 0.800 0.800 CB 1.336 7 residues pruned to eliminate duplicates S: 16 26.020 2.161 0.500 0.868 0.933 0.667 CB 1.623 16 residues pruned to eliminate duplicates T: 10 20.774 2.179 0.577 0.846 1.000 0.667 CB 1.498 10 residues pruned to eliminate duplicates U: 15 16.261 1.958 0.647 0.728 0.857 0.429 CB 1.280 15 residues pruned to eliminate duplicates V: 13 22.705 2.015 0.500 0.798 1.000 0.583 CA 1.670 14 residues pruned to eliminate duplicates W: 41 29.671 2.038 0.574 0.539 0.950 0.600 CB 1.481 X: 15 21.935 2.031 0.630 0.799 0.929 0.571 CA 1.468 15 residues pruned to eliminate duplicates Y: 9 12.290 1.913 0.419 0.847 0.875 0.750 CA 1.359 9 residues pruned to eliminate duplicates Z: 42 36.488 2.167 0.682 0.563 0.951 0.610 CB 1.547 31 residues pruned to eliminate duplicates Z: 14 23.995 2.020 0.716 0.840 1.000 0.769 CB 1.433 14 residues pruned to eliminate duplicates Z: 24 37.515 2.160 0.880 0.864 1.000 0.826 CB 1.412 24 residues pruned to eliminate duplicates Z: 25 32.745 2.143 0.716 0.868 0.958 0.667 CB 1.387 25 residues pruned to eliminate duplicates Z: 16 26.367 2.143 0.517 0.858 0.933 0.600 CB 1.652 16 residues pruned to eliminate duplicates Z: 14 23.499 2.091 0.621 0.851 1.000 0.692 CB 1.423 14 residues pruned to eliminate duplicates Z: 11 20.019 2.050 0.645 0.892 1.000 1.000 CB 1.348 11 residues pruned to eliminate duplicates Z: 12 15.492 2.147 0.373 0.820 0.909 0.636 CB 1.321 12 residues pruned to eliminate duplicates Z: 12 20.988 2.155 0.562 0.803 1.000 0.727 CB 1.443 12 residues pruned to eliminate duplicates Z: 17 20.064 1.921 0.397 0.886 0.938 0.812 CB 1.438 18 residues pruned to eliminate duplicates Z: 10 21.908 2.048 0.841 0.890 1.000 0.778 CB 1.393 10 residues pruned to eliminate duplicates Z: 6 13.233 2.131 0.514 0.721 1.000 0.800 CB 1.503 6 residues pruned to eliminate duplicates Z: 25 32.856 2.145 0.616 0.852 1.000 0.667 CB 1.431 25 residues pruned to eliminate duplicates Z: 62 37.629 2.093 0.617 0.555 0.934 0.607 CB 1.444 62 residues pruned to eliminate duplicates Z: 10 13.739 1.792 0.568 0.826 1.000 0.667 CA 1.229 10 residues pruned to eliminate duplicates Z: 25 33.742 2.136 0.727 0.855 1.000 0.708 CB 1.377 25 residues pruned to eliminate duplicates Z: 12 21.923 2.196 0.685 0.850 1.000 0.636 CB 1.323 12 residues pruned to eliminate duplicates Z: 16 21.530 1.892 0.572 0.893 1.000 0.600 CB 1.342 17 residues pruned to eliminate duplicates Z: 26 30.152 2.090 0.594 0.874 0.960 0.800 CB 1.372 26 residues pruned to eliminate duplicates Z: 9 15.886 2.001 0.414 0.914 1.000 1.000 CB 1.404 9 residues pruned to eliminate duplicates Z: 66 36.729 2.056 0.642 0.523 0.908 0.569 CB 1.453 66 residues pruned to eliminate duplicates Z: 18 18.866 1.998 0.260 0.836 0.941 0.824 CA 1.445 18 residues pruned to eliminate duplicates Z: 17 27.704 2.032 0.586 0.875 1.000 0.812 CA 1.563 16 residues pruned to eliminate duplicates Z: 15 16.886 1.971 0.243 0.900 0.929 0.786 CA 1.417 14 residues pruned to eliminate duplicates Z: 52 38.677 2.150 0.656 0.688 0.941 0.627 CB 1.360 52 residues pruned to eliminate duplicates Z: 86 40.169 2.080 0.605 0.527 0.918 0.553 CB 1.384 87 residues pruned to eliminate duplicates Z: 6 3.622 2.013 0.324 0.485 0.600 0.400 CB 1.028 6 residues pruned to eliminate duplicates Z: 44 35.116 2.127 0.777 0.575 0.930 0.651 CB 1.416 44 residues pruned to eliminate duplicates Z: 25 32.328 2.152 0.780 0.844 0.958 0.583 CB 1.337 25 residues pruned to eliminate duplicates Z: 18 26.589 2.007 0.475 0.899 1.000 0.412 CA 1.558 18 residues pruned to eliminate duplicates Z: 70 46.218 2.153 0.658 0.699 0.928 0.667 CB 1.402 70 residues pruned to eliminate duplicates Z: 12 21.350 2.079 0.748 0.827 1.000 0.818 CB 1.335 12 residues pruned to eliminate duplicates Z: 11 23.638 2.240 0.729 0.847 0.900 0.700 CB 1.593 11 residues pruned to eliminate duplicates Z: 10 20.848 2.069 0.644 0.899 1.000 0.889 CB 1.460 10 residues pruned to eliminate duplicates Z: 12 22.584 2.167 0.696 0.888 1.000 1.000 CB 1.335 12 residues pruned to eliminate duplicates Z: 12 27.214 2.204 1.008 0.883 0.909 0.636 CB 1.474 12 residues pruned to eliminate duplicates Z: 17 28.135 2.118 0.627 0.858 0.938 0.688 CA 1.603 17 residues pruned to eliminate duplicates Z: 18 26.667 1.987 0.708 0.865 0.941 0.588 CA 1.483 18 residues pruned to eliminate duplicates Z: 10 15.255 1.923 0.598 0.895 1.000 0.667 CB 1.187 10 residues pruned to eliminate duplicates Z: 14 13.738 1.966 0.476 0.829 0.769 0.615 CA 1.284 14 residues pruned to eliminate duplicates Z: 8 13.096 1.962 0.518 0.834 0.857 0.714 CB 1.453 8 residues pruned to eliminate duplicates Z: 14 18.616 2.015 0.544 0.822 0.846 0.615 CA 1.484 14 residues pruned to eliminate duplicates Z: 13 19.540 2.085 0.502 0.833 0.917 0.583 CA 1.475 13 residues pruned to eliminate duplicates Z: 6 4.921 1.801 0.138 0.587 0.800 0.600 CB 1.235 6 residues pruned to eliminate duplicates Z: 10 13.638 1.943 0.548 0.887 0.889 0.556 CB 1.225 10 residues pruned to eliminate duplicates Z: 17 26.176 2.054 0.514 0.873 1.000 0.750 CA 1.533 17 residues pruned to eliminate duplicates Z: 10 12.993 1.965 0.384 0.752 1.000 0.556 CA 1.272 10 residues pruned to eliminate duplicates Z: 16 27.341 2.157 0.593 0.885 0.933 0.800 CB 1.589 16 residues pruned to eliminate duplicates Z: 9 12.091 1.887 0.581 0.854 0.875 0.750 CA 1.210 9 residues pruned to eliminate duplicates Z: 25 14.490 1.874 0.324 0.542 0.917 0.417 CB 1.248 25 residues pruned to eliminate duplicates Z: 9 24.954 2.087 1.006 0.920 1.000 0.875 CB 1.484 9 residues pruned to eliminate duplicates Z: 25 35.150 2.165 0.907 0.839 0.958 0.750 CB 1.354 25 residues pruned to eliminate duplicates Z: 9 16.141 1.869 0.656 0.823 1.000 0.625 CA 1.393 9 residues pruned to eliminate duplicates Z: 9 19.784 2.161 0.667 0.885 0.875 0.875 CB 1.602 9 residues pruned to eliminate duplicates Z: 17 24.538 2.023 0.403 0.890 1.000 0.875 CA 1.555 17 residues pruned to eliminate duplicates Z: 109 49.688 2.135 0.627 0.619 0.889 0.574 CB 1.384 109 residues pruned to eliminate duplicates Z: 15 24.341 2.148 0.855 0.762 0.929 0.429 CB 1.393 14 residues pruned to eliminate duplicates Z: 8 14.541 2.011 0.324 0.907 1.000 0.714 CA 1.466 8 residues pruned to eliminate duplicates Z: 25 33.607 2.129 0.754 0.864 1.000 0.792 CB 1.346 25 residues pruned to eliminate duplicates Z: 10 16.396 2.057 0.450 0.875 1.000 0.778 CB 1.332 10 residues pruned to eliminate duplicates Z: 7 7.307 1.657 0.255 0.622 1.000 0.667 N 1.279 7 residues pruned to eliminate duplicates Z: 16 17.963 2.040 0.363 0.855 0.867 0.533 CB 1.420 16 residues pruned to eliminate duplicates Z: 8 14.990 1.912 0.829 0.819 0.857 0.714 CB 1.432 8 residues pruned to eliminate duplicates Z: 10 19.933 2.007 0.639 0.876 1.000 0.778 CB 1.469 10 residues pruned to eliminate duplicates Z: 7 3.447 1.398 0.025 0.490 0.833 0.333 CA 1.190 7 residues pruned to eliminate duplicates Z: 10 13.450 1.915 0.335 0.880 1.000 0.778 CB 1.270 10 residues pruned to eliminate duplicates Z: 18 26.143 1.978 0.640 0.872 1.000 0.824 CA 1.424 18 residues pruned to eliminate duplicates Z: 10 14.444 1.834 0.537 0.852 1.000 0.667 CA 1.263 10 residues pruned to eliminate duplicates Z: 16 27.820 2.158 0.583 0.867 0.933 0.667 CB 1.648 16 residues pruned to eliminate duplicates Z: 25 28.249 2.095 0.489 0.841 1.000 0.708 CB 1.379 25 residues pruned to eliminate duplicates Z: 11 18.330 2.013 0.394 0.902 1.000 0.900 CB 1.474 11 residues pruned to eliminate duplicates Z: 25 20.834 1.962 0.369 0.712 0.917 0.667 CB 1.425 18 residues pruned to eliminate duplicates Z: 12 22.056 2.139 0.647 0.870 1.000 0.818 CB 1.378 12 residues pruned to eliminate duplicates Z: 9 12.166 1.931 0.441 0.807 0.875 0.750 CA 1.352 9 residues pruned to eliminate duplicates Z: 9 15.206 1.987 0.508 0.897 1.000 0.500 CB 1.285 9 residues pruned to eliminate duplicates Z: 17 14.817 1.945 0.526 0.567 0.875 0.625 CB 1.337 17 residues pruned to eliminate duplicates Z: 10 12.283 1.904 0.114 0.901 1.000 0.889 CB 1.378 10 residues pruned to eliminate duplicates Z: 26 35.046 2.053 0.999 0.855 0.960 0.640 CB 1.313 26 residues pruned to eliminate duplicates Z: 67 46.351 2.160 0.702 0.682 0.939 0.606 CB 1.397 67 residues pruned to eliminate duplicates Z: 8 11.907 1.759 0.934 0.602 1.000 0.714 CB 1.200 8 residues pruned to eliminate duplicates Z: 72 40.622 2.093 0.616 0.665 0.915 0.634 CB 1.337 72 residues pruned to eliminate duplicates Z: 9 19.737 2.216 0.631 0.823 1.000 0.750 CA 1.459 9 residues pruned to eliminate duplicates Z: 24 29.028 2.158 0.591 0.851 0.957 0.826 CB 1.365 24 residues pruned to eliminate duplicates Z: 25 32.481 2.146 0.691 0.871 0.958 0.750 CB 1.390 25 residues pruned to eliminate duplicates Z: 24 30.290 2.180 0.522 0.854 1.000 0.696 CB 1.406 24 residues pruned to eliminate duplicates Z: 7 9.792 1.900 0.704 0.687 1.000 0.667 CB 1.040 7 residues pruned to eliminate duplicates Z: 57 37.360 2.099 0.621 0.683 0.946 0.679 CB 1.310 57 residues pruned to eliminate duplicates Z: 13 20.505 2.026 0.615 0.873 1.000 0.833 CB 1.318 13 residues pruned to eliminate duplicates Z: 17 15.799 1.903 0.076 0.893 1.000 0.875 CA 1.385 17 residues pruned to eliminate duplicates Z: 16 15.854 1.909 0.266 0.750 0.933 0.400 CA 1.452 16 residues pruned to eliminate duplicates Z: 104 46.428 2.093 0.512 0.631 0.942 0.660 CB 1.358 104 residues pruned to eliminate duplicates Z: 13 13.253 1.915 0.300 0.876 0.917 0.750 CB 1.218 13 residues pruned to eliminate duplicates Z: 7 5.927 1.828 0.053 0.755 0.833 0.667 CB 1.202 7 residues pruned to eliminate duplicates Z: 20 6.265 1.664 0.234 0.345 0.842 0.421 CB 0.984 20 residues pruned to eliminate duplicates Z: 8 8.891 1.738 0.998 0.493 0.857 0.714 CB 1.137 8 residues pruned to eliminate duplicates Z: 25 31.278 2.127 0.648 0.831 0.958 0.750 CB 1.427 25 residues pruned to eliminate duplicates Z: 9 24.611 2.189 0.794 0.713 1.000 0.750 CB 1.827 9 residues pruned to eliminate duplicates Z: 23 31.558 2.193 0.721 0.871 1.000 0.727 CB 1.300 23 residues pruned to eliminate duplicates Z: 10 23.590 2.064 0.877 0.917 1.000 0.889 CB 1.433 10 residues pruned to eliminate duplicates Z: 26 23.928 2.068 0.573 0.814 0.840 0.600 CB 1.333 26 residues pruned to eliminate duplicates Z: 27 26.321 1.981 0.582 0.648 1.000 0.615 CB 1.435 25 residues pruned to eliminate duplicates Z: 17 18.432 1.944 0.234 0.915 0.938 0.875 CA 1.448 17 residues pruned to eliminate duplicates Z: 10 20.108 1.994 1.140 0.885 0.889 0.556 CB 1.276 10 residues pruned to eliminate duplicates Z: 109 46.580 2.138 0.604 0.586 0.880 0.593 CB 1.368 109 residues pruned to eliminate duplicates Z: 11 20.178 2.056 0.533 0.900 1.000 0.900 CB 1.446 11 residues pruned to eliminate duplicates Z: 10 11.605 1.899 0.089 0.890 1.000 0.556 CB 1.345 10 residues pruned to eliminate duplicates Z: 6 8.676 1.851 0.117 0.759 1.000 0.400 CA 1.491 6 residues pruned to eliminate duplicates Z: 17 17.212 1.844 0.380 0.859 0.938 0.750 CB 1.327 17 residues pruned to eliminate duplicates Z: 17 17.469 1.837 0.313 0.889 1.000 0.688 CB 1.304 17 residues pruned to eliminate duplicates Z: 60 34.241 2.051 0.505 0.583 0.932 0.508 CB 1.432 60 residues pruned to eliminate duplicates Z: 12 9.944 1.726 0.944 0.517 0.909 0.727 CB 0.967 13 residues pruned to eliminate duplicates Z: 6 2.180 1.327 0.354 0.297 0.600 0.400 CB 1.135 Z: 25 30.447 2.143 0.678 0.863 0.917 0.708 CB 1.384 25 residues pruned to eliminate duplicates Z: 18 27.083 2.015 0.626 0.858 0.941 0.471 CA 1.569 18 residues pruned to eliminate duplicates Z: 16 26.053 2.045 0.491 0.932 1.000 0.667 CA 1.540 16 residues pruned to eliminate duplicates 8 1.941 1.414 0.167 0.355 0.714 0.571 CB 0.728 ? Z: 42 36.237 2.148 0.728 0.590 0.927 0.585 CB 1.508 42 residues pruned to eliminate duplicates Z: 19 16.747 1.822 0.354 0.879 1.000 0.722 CA 1.160 19 residues pruned to eliminate duplicates Z: 92 44.369 2.111 0.774 0.603 0.857 0.440 CB 1.314 92 residues pruned to eliminate duplicates Z: 70 38.233 2.114 0.633 0.675 0.913 0.667 CB 1.242 70 residues pruned to eliminate duplicates Z: 11 19.714 2.124 0.515 0.920 1.000 0.900 CB 1.365 11 residues pruned to eliminate duplicates Z: 23 34.355 2.221 0.649 0.866 1.000 0.773 CB 1.465 23 residues pruned to eliminate duplicates Z: 25 30.189 2.118 0.544 0.877 1.000 0.917 CB 1.369 25 residues pruned to eliminate duplicates Z: 13 23.788 2.059 0.676 0.833 1.000 0.500 CB 1.493 13 residues pruned to eliminate duplicates Z: 15 18.844 2.009 0.262 0.911 1.000 0.786 CB 1.408 15 residues pruned to eliminate duplicates Z: 10 10.401 1.904 0.516 0.897 0.889 0.556 CB 0.967 10 residues pruned to eliminate duplicates Z: 11 9.019 1.659 0.727 0.398 0.800 0.500 CA 1.386 11 residues pruned to eliminate duplicates Z: 61 33.398 2.028 0.559 0.520 0.917 0.567 CB 1.458 61 residues pruned to eliminate duplicates Z: 9 5.547 1.811 0.622 0.351 0.875 0.625 CB 0.896 9 residues pruned to eliminate duplicates Z: 16 19.303 1.745 0.638 0.863 1.000 0.733 CB 1.279 16 residues pruned to eliminate duplicates Z: 26 23.393 2.048 0.388 0.864 0.920 0.920 CB 1.312 26 residues pruned to eliminate duplicates Z: 7 7.260 1.456 0.813 0.659 1.000 0.667 CA 0.969 7 residues pruned to eliminate duplicates Z: 12 17.541 2.143 0.434 0.843 0.909 0.909 CB 1.410 12 residues pruned to eliminate duplicates Z: 54 32.097 2.108 0.462 0.649 0.906 0.585 CB 1.374 54 residues pruned to eliminate duplicates Z: 18 11.668 1.940 0.268 0.641 0.824 0.471 CB 1.224 18 residues pruned to eliminate duplicates Z: 12 20.616 1.937 0.645 0.896 1.000 0.545 CB 1.397 12 residues pruned to eliminate duplicates Z: 12 18.881 2.115 0.585 0.861 0.909 0.818 CB 1.372 12 residues pruned to eliminate duplicates Z: 8 11.660 1.933 0.262 0.913 1.000 0.714 CB 1.278 8 residues pruned to eliminate duplicates Z: 15 21.099 1.962 0.649 0.798 1.000 0.571 CB 1.342 15 residues pruned to eliminate duplicates Z: 46 31.526 2.086 0.581 0.554 0.956 0.711 CB 1.415 46 residues pruned to eliminate duplicates Z: 23 23.194 1.905 0.643 0.658 0.955 0.591 CA 1.428 23 residues pruned to eliminate duplicates Z: 24 22.130 2.070 0.733 0.533 0.913 0.609 CB 1.364 24 residues pruned to eliminate duplicates Z: 11 23.389 2.079 0.809 0.929 1.000 1.000 CB 1.376 11 residues pruned to eliminate duplicates Z: 26 21.512 1.967 0.554 0.602 0.920 0.760 CB 1.389 26 residues pruned to eliminate duplicates Z: 9 17.005 1.950 0.607 0.898 1.000 0.250 CB 1.372 9 residues pruned to eliminate duplicates Z: 18 29.847 2.016 0.698 0.905 1.000 0.882 CA 1.506 18 residues pruned to eliminate duplicates Z: 24 26.509 2.147 0.526 0.867 0.957 0.696 CB 1.290 24 residues pruned to eliminate duplicates Z: 9 2.228 1.393 0.461 0.257 0.750 0.375 CB 0.682 9 residues pruned to eliminate duplicates Z: 65 39.802 2.097 0.721 0.575 0.906 0.500 CB 1.415 65 residues pruned to eliminate duplicates Z: 12 5.882 1.849 0.469 0.435 0.636 0.545 CB 1.098 12 residues pruned to eliminate duplicates Z: 52 41.210 2.186 0.729 0.722 0.922 0.725 CB 1.356 52 residues pruned to eliminate duplicates Z: 20 32.024 2.155 0.926 0.850 0.947 0.737 CB 1.383 20 residues pruned to eliminate duplicates Z: 7 13.751 2.026 0.801 0.806 0.833 0.500 CB 1.413 7 residues pruned to eliminate duplicates Z: 10 19.634 1.926 0.767 0.933 1.000 0.778 CB 1.342 10 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 17 22.590 2.035 0.384 0.852 0.938 0.375 CB 1.582 17 residues pruned to eliminate duplicates Z: 89 38.011 2.056 0.506 0.529 0.898 0.568 CB 1.416 89 residues pruned to eliminate duplicates Z: 71 31.845 2.042 0.564 0.511 0.871 0.500 CB 1.353 71 residues pruned to eliminate duplicates Z: 120 56.802 2.099 0.737 0.636 0.916 0.655 CB 1.372 120 residues pruned to eliminate duplicates Z: 25 24.870 2.103 0.502 0.678 0.917 0.667 CB 1.490 25 residues pruned to eliminate duplicates Z: 25 23.152 2.069 0.537 0.633 0.958 0.500 CB 1.369 25 residues pruned to eliminate duplicates Z: 26 25.579 2.060 0.515 0.661 0.920 0.680 CB 1.534 26 residues pruned to eliminate duplicates Z: 21 22.435 2.028 0.486 0.705 0.950 0.750 CB 1.455 21 residues pruned to eliminate duplicates Z: 27 24.278 2.048 0.666 0.626 0.808 0.538 CB 1.533 27 residues pruned to eliminate duplicates Z: 28 23.123 1.974 0.606 0.598 0.926 0.741 CB 1.381 28 residues pruned to eliminate duplicates Z: 29 24.113 1.984 0.557 0.620 0.893 0.679 CB 1.475 29 residues pruned to eliminate duplicates Z: 56 35.610 2.054 0.778 0.586 0.836 0.582 CB 1.448 56 residues pruned to eliminate duplicates Z: 21 20.264 1.955 0.643 0.699 0.850 0.700 CB 1.385 21 residues pruned to eliminate duplicates Z: 26 25.730 2.014 0.561 0.634 0.960 0.680 CA 1.504 26 residues pruned to eliminate duplicates Z: 24 27.214 2.098 0.564 0.688 0.957 0.652 CA 1.522 24 residues pruned to eliminate duplicates Z: 15 9.975 1.666 0.532 0.478 0.857 0.643 C 1.246 15 residues pruned to eliminate duplicates Z: 7 11.092 1.836 0.977 0.565 0.833 0.833 CA 1.405 7 residues pruned to eliminate duplicates Z: 8 11.317 1.873 0.792 0.594 0.857 0.571 CA 1.359 8 residues pruned to eliminate duplicates Z: 8 13.933 2.051 0.703 0.550 1.000 0.857 CB 1.436 5 residues pruned to eliminate duplicates Z: 8 5.123 1.860 0.541 0.506 0.571 0.571 CB 1.175 8 residues pruned to eliminate duplicates Z: 44 30.825 2.136 0.578 0.528 0.907 0.581 CB 1.496 44 residues pruned to eliminate duplicates Z: 45 28.694 2.122 0.607 0.515 0.864 0.545 CB 1.447 45 residues pruned to eliminate duplicates Z: 32 25.259 2.112 0.527 0.541 0.935 0.613 CB 1.446 32 residues pruned to eliminate duplicates Z: 43 28.557 2.135 0.427 0.537 0.905 0.667 CB 1.541 43 residues pruned to eliminate duplicates Z: 63 34.443 2.101 0.515 0.509 0.952 0.548 CB 1.432 63 residues pruned to eliminate duplicates Z: 44 32.867 2.141 0.602 0.537 0.953 0.535 CB 1.477 44 residues pruned to eliminate duplicates Z: 46 28.642 2.122 0.459 0.538 0.911 0.622 CB 1.458 46 residues pruned to eliminate duplicates Z: 28 28.514 2.188 0.572 0.551 1.000 0.667 CB 1.518 28 residues pruned to eliminate duplicates Z: 46 30.458 2.114 0.507 0.533 0.911 0.667 CB 1.514 46 residues pruned to eliminate duplicates Z: 46 30.772 2.114 0.604 0.533 0.889 0.511 CB 1.473 46 residues pruned to eliminate duplicates Z: 39 24.811 2.106 0.533 0.496 0.868 0.526 CB 1.442 39 residues pruned to eliminate duplicates Z: 34 28.196 2.113 0.649 0.499 0.939 0.394 CB 1.501 34 residues pruned to eliminate duplicates Z: 41 37.327 2.168 0.769 0.538 0.975 0.600 CB 1.521 41 residues pruned to eliminate duplicates Z: 41 33.213 2.163 0.552 0.548 0.975 0.525 CB 1.531 41 residues pruned to eliminate duplicates Z: 44 30.872 2.121 0.583 0.540 0.907 0.628 CB 1.487 44 residues pruned to eliminate duplicates Z: 35 25.710 2.064 0.628 0.503 0.941 0.382 CB 1.389 35 residues pruned to eliminate duplicates Z: 43 34.038 2.164 0.598 0.529 0.952 0.571 CB 1.549 43 residues pruned to eliminate duplicates Z: 43 31.564 2.150 0.518 0.539 0.929 0.476 CB 1.547 43 residues pruned to eliminate duplicates Z: 47 31.522 2.108 0.628 0.512 0.913 0.500 CB 1.466 47 residues pruned to eliminate duplicates Z: 41 33.236 2.173 0.609 0.526 0.975 0.575 CB 1.502 41 residues pruned to eliminate duplicates Z: 45 34.589 2.102 0.677 0.541 0.932 0.614 CB 1.525 45 residues pruned to eliminate duplicates Z: 49 32.848 2.087 0.608 0.494 0.958 0.562 CB 1.483 49 residues pruned to eliminate duplicates Z: 46 32.959 2.087 0.694 0.551 0.889 0.622 CB 1.488 46 residues pruned to eliminate duplicates Z: 42 36.873 2.169 0.677 0.571 0.951 0.634 CB 1.554 42 residues pruned to eliminate duplicates Z: 32 22.128 2.017 0.590 0.526 0.871 0.516 CB 1.387 32 residues pruned to eliminate duplicates Z: 33 29.127 2.070 0.653 0.531 0.969 0.594 CB 1.507 33 residues pruned to eliminate duplicates Z: 65 36.267 2.078 0.604 0.503 0.922 0.609 CB 1.472 65 residues pruned to eliminate duplicates Z: 45 33.917 2.084 0.729 0.530 0.909 0.591 CB 1.515 45 residues pruned to eliminate duplicates Z: 46 28.616 2.085 0.573 0.529 0.867 0.578 CB 1.458 46 residues pruned to eliminate duplicates Z: 17 17.163 2.028 0.677 0.552 0.812 0.625 CB 1.476 17 residues pruned to eliminate duplicates Z: 46 33.160 2.079 0.703 0.561 0.933 0.622 CB 1.410 46 residues pruned to eliminate duplicates Z: 38 30.878 2.141 0.639 0.589 0.919 0.568 CB 1.446 38 residues pruned to eliminate duplicates Z: 45 32.412 2.073 0.645 0.561 0.955 0.682 CB 1.414 45 residues pruned to eliminate duplicates Z: 18 16.694 1.993 0.619 0.547 0.824 0.647 CB 1.456 18 residues pruned to eliminate duplicates Z: 32 18.339 1.940 0.586 0.408 0.903 0.581 CB 1.305 32 residues pruned to eliminate duplicates Z: 32 31.487 2.151 0.746 0.615 0.839 0.645 CB 1.611 32 residues pruned to eliminate duplicates Z: 15 14.067 2.000 0.483 0.502 0.857 0.643 CB 1.476 15 residues pruned to eliminate duplicates Z: 46 30.537 2.083 0.701 0.539 0.911 0.578 CB 1.358 46 residues pruned to eliminate duplicates Z: 35 33.556 2.114 0.703 0.584 0.941 0.618 CB 1.568 35 residues pruned to eliminate duplicates Z: 45 36.562 2.096 0.759 0.611 0.932 0.636 CB 1.443 45 residues pruned to eliminate duplicates Z: 21 16.927 1.934 0.400 0.561 0.950 0.650 CB 1.386 21 residues pruned to eliminate duplicates Z: 19 17.350 2.022 0.457 0.549 0.944 0.611 CB 1.402 19 residues pruned to eliminate duplicates Z: 19 17.970 2.011 0.519 0.574 0.944 0.667 CB 1.367 19 residues pruned to eliminate duplicates Z: 46 20.468 1.888 0.533 0.429 0.911 0.511 CB 1.245 46 residues pruned to eliminate duplicates Z: 66 37.073 2.031 0.580 0.562 0.938 0.646 CB 1.437 66 residues pruned to eliminate duplicates Z: 21 16.777 1.894 0.575 0.523 1.000 0.600 CB 1.229 21 residues pruned to eliminate duplicates Z: 17 12.461 1.936 0.342 0.432 0.938 0.438 CB 1.372 17 residues pruned to eliminate duplicates Z: 66 34.927 2.050 0.611 0.545 0.892 0.600 CB 1.407 66 residues pruned to eliminate duplicates Z: 17 10.677 1.963 0.216 0.399 0.938 0.562 CB 1.326 17 residues pruned to eliminate duplicates Z: 11 13.091 1.841 0.338 0.818 1.000 0.900 CA 1.275 11 residues pruned to eliminate duplicates Z: 38 26.159 1.987 0.541 0.517 0.919 0.703 CB 1.502 38 residues pruned to eliminate duplicates Z: 20 17.445 1.967 0.345 0.539 1.000 0.632 CB 1.456 20 residues pruned to eliminate duplicates Z: 19 17.238 1.998 0.415 0.576 0.944 0.611 CB 1.414 19 residues pruned to eliminate duplicates Z: 67 36.629 2.035 0.690 0.520 0.924 0.576 CB 1.391 67 residues pruned to eliminate duplicates Z: 38 25.137 1.986 0.598 0.513 0.892 0.649 CB 1.441 38 residues pruned to eliminate duplicates Z: 20 17.576 1.982 0.498 0.528 0.947 0.737 CB 1.395 20 residues pruned to eliminate duplicates Z: 77 44.217 2.150 0.611 0.641 0.947 0.592 CB 1.356 77 residues pruned to eliminate duplicates Z: 40 33.463 2.110 0.698 0.724 0.897 0.538 CB 1.362 41 residues pruned to eliminate duplicates Z: 17 19.317 1.921 0.517 0.771 1.000 0.688 CB 1.305 17 residues pruned to eliminate duplicates Z: 16 21.696 2.148 0.716 0.767 0.867 0.600 CB 1.385 16 residues pruned to eliminate duplicates Z: 119 57.373 2.146 0.672 0.641 0.924 0.551 CB 1.396 119 residues pruned to eliminate duplicates Z: 17 21.079 2.141 0.747 0.709 0.875 0.562 CB 1.332 17 residues pruned to eliminate duplicates Z: 100 55.050 2.167 0.678 0.637 0.939 0.616 CB 1.424 99 residues pruned to eliminate duplicates Z: 14 23.732 2.056 0.898 0.794 0.923 0.692 CB 1.412 14 residues pruned to eliminate duplicates Z: 119 58.654 2.134 0.727 0.649 0.898 0.568 CB 1.419 119 residues pruned to eliminate duplicates Z: 14 20.161 1.999 0.619 0.835 0.923 0.615 CA 1.402 14 residues pruned to eliminate duplicates Z: 52 39.166 2.214 0.640 0.686 0.902 0.588 CB 1.412 52 residues pruned to eliminate duplicates Z: 42 33.805 2.180 0.612 0.745 0.878 0.659 CB 1.374 42 residues pruned to eliminate duplicates Z: 51 40.375 2.201 0.622 0.697 0.940 0.580 CB 1.421 51 residues pruned to eliminate duplicates Z: 52 41.755 2.212 0.714 0.679 0.922 0.647 CB 1.420 52 residues pruned to eliminate duplicates Z: 63 48.546 2.186 0.790 0.712 0.952 0.613 CB 1.366 63 residues pruned to eliminate duplicates Z: 16 16.384 2.027 0.594 0.731 0.800 0.600 CB 1.329 16 residues pruned to eliminate duplicates Z: 51 40.947 2.209 0.678 0.685 0.920 0.700 CB 1.433 51 residues pruned to eliminate duplicates Z: 91 43.290 2.109 0.578 0.570 0.944 0.544 CB 1.356 91 residues pruned to eliminate duplicates Z: 117 53.305 2.115 0.599 0.623 0.940 0.543 CB 1.387 117 residues pruned to eliminate duplicates Z: 81 44.745 2.111 0.685 0.622 0.925 0.613 CB 1.355 81 residues pruned to eliminate duplicates Z: 86 46.409 2.142 0.675 0.614 0.918 0.624 CB 1.374 86 residues pruned to eliminate duplicates Z: 36 35.143 2.231 0.651 0.702 0.971 0.686 CB 1.381 36 residues pruned to eliminate duplicates Z: 101 54.113 2.145 0.782 0.635 0.880 0.630 CB 1.417 101 residues pruned to eliminate duplicates Z: 101 52.216 2.159 0.728 0.635 0.890 0.580 CB 1.385 101 residues pruned to eliminate duplicates Z: 52 37.518 2.177 0.747 0.695 0.843 0.529 CB 1.371 52 residues pruned to eliminate duplicates Z: 101 48.760 2.145 0.677 0.621 0.880 0.540 CB 1.374 101 residues pruned to eliminate duplicates Z: 46 39.236 2.182 0.723 0.710 0.933 0.600 CB 1.378 46 residues pruned to eliminate duplicates Z: 118 56.456 2.151 0.623 0.639 0.915 0.615 CB 1.435 119 residues pruned to eliminate duplicates Z: 26 32.771 2.104 0.710 0.842 0.960 0.760 CB 1.414 26 residues pruned to eliminate duplicates Z: 117 53.706 2.132 0.594 0.626 0.914 0.517 CB 1.425 117 residues pruned to eliminate duplicates Z: 104 51.028 2.125 0.651 0.631 0.893 0.515 CB 1.419 104 residues pruned to eliminate duplicates Z: 95 43.608 2.107 0.665 0.586 0.872 0.500 CB 1.353 95 residues pruned to eliminate duplicates Z: 51 40.824 2.228 0.639 0.715 0.920 0.660 CB 1.414 51 residues pruned to eliminate duplicates Z: 118 48.069 2.084 0.623 0.621 0.863 0.530 CB 1.358 118 residues pruned to eliminate duplicates Z: 102 49.125 2.131 0.696 0.617 0.891 0.535 CB 1.358 102 residues pruned to eliminate duplicates Z: 62 48.781 2.184 0.757 0.731 0.934 0.590 CB 1.415 62 residues pruned to eliminate duplicates Z: 44 36.551 2.166 0.662 0.718 0.953 0.721 CB 1.333 44 residues pruned to eliminate duplicates Z: 39 35.511 2.175 0.694 0.653 0.974 0.684 CB 1.393 39 residues pruned to eliminate duplicates Z: 65 44.634 2.180 0.696 0.697 0.906 0.641 CB 1.391 65 residues pruned to eliminate duplicates Z: 37 38.576 2.206 0.660 0.700 1.000 0.750 CB 1.463 37 residues pruned to eliminate duplicates Z: 50 41.026 2.151 0.709 0.683 0.959 0.673 CB 1.405 50 residues pruned to eliminate duplicates Z: 51 35.214 2.125 0.607 0.657 0.940 0.580 CB 1.340 51 residues pruned to eliminate duplicates Z: 150 62.036 2.125 0.663 0.615 0.926 0.611 CB 1.393 150 residues pruned to eliminate duplicates Z: 46 44.733 2.191 0.760 0.719 0.978 0.733 CB 1.450 46 residues pruned to eliminate duplicates Z: 70 46.438 2.159 0.730 0.684 0.928 0.551 CB 1.363 70 residues pruned to eliminate duplicates Z: 87 47.498 2.137 0.622 0.602 0.930 0.581 CB 1.441 87 residues pruned to eliminate duplicates Z: 30 27.676 2.067 0.687 0.582 0.966 0.621 CB 1.411 30 residues pruned to eliminate duplicates Z: 52 43.454 2.193 0.737 0.699 0.922 0.647 CB 1.445 52 residues pruned to eliminate duplicates Z: 52 38.256 2.194 0.655 0.710 0.902 0.706 CB 1.351 52 residues pruned to eliminate duplicates Z: 8 25.538 2.412 0.965 0.610 1.000 0.714 CB 1.835 8 residues pruned to eliminate duplicates Z: 101 53.275 2.150 0.718 0.640 0.900 0.600 CB 1.406 101 residues pruned to eliminate duplicates Z: 62 42.965 2.178 0.660 0.715 0.902 0.574 CB 1.389 62 residues pruned to eliminate duplicates Z: 98 52.148 2.133 0.779 0.636 0.887 0.608 CB 1.385 98 residues pruned to eliminate duplicates Z: 72 44.154 2.124 0.703 0.661 0.930 0.620 CB 1.342 72 residues pruned to eliminate duplicates Z: 102 51.624 2.152 0.665 0.618 0.941 0.564 CB 1.363 102 residues pruned to eliminate duplicates Z: 46 44.469 2.185 0.691 0.753 1.000 0.644 CB 1.431 46 residues pruned to eliminate duplicates Z: 101 50.583 2.150 0.713 0.628 0.890 0.590 CB 1.367 101 residues pruned to eliminate duplicates Z: 68 44.823 2.137 0.705 0.675 0.940 0.612 CB 1.359 68 residues pruned to eliminate duplicates Z: 62 50.507 2.188 0.803 0.729 0.934 0.639 CB 1.428 62 residues pruned to eliminate duplicates Z: 78 39.974 2.132 0.617 0.616 0.909 0.545 CB 1.303 78 residues pruned to eliminate duplicates Z: 87 47.614 2.118 0.700 0.634 0.942 0.593 CB 1.335 87 residues pruned to eliminate duplicates Z: 93 41.055 2.081 0.572 0.581 0.902 0.543 CB 1.342 93 residues pruned to eliminate duplicates Z: 87 46.020 2.143 0.679 0.613 0.919 0.651 CB 1.348 87 residues pruned to eliminate duplicates Z: 58 36.377 2.134 0.666 0.580 0.930 0.649 CB 1.350 58 residues pruned to eliminate duplicates Z: 101 46.671 2.117 0.726 0.616 0.890 0.510 CB 1.287 101 residues pruned to eliminate duplicates Z: 141 49.020 2.072 0.571 0.535 0.900 0.550 CB 1.366 141 residues pruned to eliminate duplicates Z: 71 33.508 2.047 0.516 0.586 0.914 0.443 CB 1.300 71 residues pruned to eliminate duplicates Z: 69 39.256 2.105 0.640 0.594 0.897 0.529 CB 1.405 69 residues pruned to eliminate duplicates Z: 100 47.430 2.110 0.601 0.622 0.919 0.566 CB 1.369 100 residues pruned to eliminate duplicates Z: 119 59.270 2.145 0.717 0.653 0.915 0.585 CB 1.404 119 residues pruned to eliminate duplicates Z: 81 43.669 2.116 0.633 0.624 0.950 0.637 CB 1.323 81 residues pruned to eliminate duplicates Z: 104 52.682 2.135 0.697 0.625 0.913 0.631 CB 1.395 104 residues pruned to eliminate duplicates Z: 40 25.628 2.144 0.645 0.529 0.821 0.410 CB 1.378 40 residues pruned to eliminate duplicates Z: 52 29.890 2.095 0.563 0.578 0.843 0.431 CB 1.407 52 residues pruned to eliminate duplicates Z: 34 26.617 2.087 0.748 0.523 0.879 0.515 CB 1.413 34 residues pruned to eliminate duplicates Z: 39 24.939 2.087 0.620 0.492 0.868 0.500 CB 1.389 39 residues pruned to eliminate duplicates Z: 30 22.790 2.121 0.581 0.530 0.931 0.448 CB 1.316 30 residues pruned to eliminate duplicates Z: 33 23.697 2.093 0.627 0.521 0.906 0.500 CB 1.330 33 residues pruned to eliminate duplicates Z: 64 38.357 2.127 0.661 0.541 0.937 0.619 CB 1.403 64 residues pruned to eliminate duplicates Z: 117 55.896 2.114 0.620 0.636 0.940 0.586 CB 1.420 117 residues pruned to eliminate duplicates Z: 118 54.586 2.129 0.710 0.631 0.880 0.615 CB 1.393 118 residues pruned to eliminate duplicates Z: 22 15.193 1.834 0.754 0.392 0.952 0.571 CB 1.214 22 residues pruned to eliminate duplicates Z: 52 32.841 2.068 0.664 0.571 0.863 0.471 CB 1.447 52 residues pruned to eliminate duplicates Z: 26 27.513 2.129 0.695 0.563 0.920 0.520 CB 1.559 26 residues pruned to eliminate duplicates Z: 31 26.115 2.062 0.734 0.503 0.933 0.533 CB 1.424 31 residues pruned to eliminate duplicates Z: 51 36.005 2.107 0.670 0.612 0.860 0.540 CB 1.513 51 residues pruned to eliminate duplicates Z: 42 32.679 2.093 0.787 0.584 0.805 0.439 CB 1.564 42 residues pruned to eliminate duplicates Z: 52 38.342 2.100 0.756 0.606 0.922 0.627 CB 1.429 52 residues pruned to eliminate duplicates Z: 32 27.754 2.111 0.747 0.533 0.903 0.613 CB 1.449 32 residues pruned to eliminate duplicates Z: 34 25.183 2.104 0.767 0.505 0.879 0.606 CB 1.335 34 residues pruned to eliminate duplicates Z: 38 26.826 2.052 0.789 0.525 0.838 0.622 CB 1.399 38 residues pruned to eliminate duplicates Z: 38 25.843 2.135 0.671 0.492 0.838 0.432 CB 1.434 38 residues pruned to eliminate duplicates Z: 68 40.877 2.117 0.714 0.624 0.881 0.478 CB 1.391 68 residues pruned to eliminate duplicates Z: 95 43.780 2.125 0.592 0.549 0.883 0.574 CB 1.442 95 residues pruned to eliminate duplicates Z: 33 28.071 2.164 0.759 0.544 0.844 0.625 CB 1.480 33 residues pruned to eliminate duplicates Z: 34 30.377 2.112 0.807 0.515 0.939 0.576 CB 1.454 34 residues pruned to eliminate duplicates Z: 10 7.196 1.762 0.827 0.319 0.667 0.222 CB 1.365 10 residues pruned to eliminate duplicates Z: 9 5.525 1.929 0.892 0.340 0.750 0.250 CB 0.850 9 residues pruned to eliminate duplicates Z: 100 55.953 2.143 0.772 0.648 0.929 0.636 CB 1.388 100 residues pruned to eliminate duplicates Z: 35 29.473 2.043 0.971 0.539 0.882 0.500 CB 1.369 35 residues pruned to eliminate duplicates Z: 27 23.485 1.985 0.440 0.690 0.923 0.538 CB 1.467 27 residues pruned to eliminate duplicates Z: 30 21.463 1.907 0.446 0.626 0.897 0.448 CB 1.431 30 residues pruned to eliminate duplicates Z: 22 21.768 2.009 0.655 0.629 0.857 0.524 CB 1.477 22 residues pruned to eliminate duplicates Z: 26 28.115 2.041 0.532 0.717 0.960 0.520 CB 1.539 26 residues pruned to eliminate duplicates Z: 7 6.384 1.722 0.590 0.422 1.000 0.500 CA 1.033 7 residues pruned to eliminate duplicates Z: 27 24.561 2.013 0.407 0.657 1.000 0.577 CB 1.471 27 residues pruned to eliminate duplicates Z: 17 16.092 1.989 0.087 0.828 0.938 0.812 CB 1.495 17 residues pruned to eliminate duplicates Z: 26 23.292 1.974 0.411 0.690 0.960 0.600 CA 1.463 26 residues pruned to eliminate duplicates Z: 36 20.841 1.931 0.377 0.605 0.857 0.600 CB 1.400 39 residues pruned to eliminate duplicates Z: 19 16.996 1.818 0.271 0.863 1.000 0.667 CB 1.272 19 residues pruned to eliminate duplicates Z: 28 18.473 1.887 0.531 0.561 0.852 0.481 CB 1.361 28 residues pruned to eliminate duplicates Z: 27 21.780 2.005 0.326 0.652 0.962 0.500 CB 1.450 27 residues pruned to eliminate duplicates Z: 26 23.881 2.016 0.359 0.723 0.960 0.600 CB 1.485 26 residues pruned to eliminate duplicates Z: 27 25.250 2.016 0.408 0.688 1.000 0.615 CB 1.468 27 residues pruned to eliminate duplicates Z: 21 24.629 2.066 0.389 0.767 1.000 0.750 CB 1.516 21 residues pruned to eliminate duplicates Z: 26 20.453 1.975 0.433 0.689 0.920 0.600 CB 1.321 26 residues pruned to eliminate duplicates Z: 27 27.689 1.959 0.583 0.702 0.962 0.577 CB 1.514 27 residues pruned to eliminate duplicates Z: 26 26.792 2.047 0.524 0.706 0.960 0.600 CB 1.484 26 residues pruned to eliminate duplicates Z: 11 7.696 1.675 0.690 0.483 0.700 0.300 CB 1.249 11 residues pruned to eliminate duplicates Z: 24 22.119 1.999 0.484 0.687 0.870 0.696 CB 1.506 24 residues pruned to eliminate duplicates Z: 25 25.954 2.021 0.564 0.711 0.958 0.708 CA 1.445 24 residues pruned to eliminate duplicates Z: 19 16.418 1.830 0.306 0.850 0.944 0.778 CB 1.270 18 residues pruned to eliminate duplicates 210 residues left after pruning, divided into chains as follows: A: 179 B: 31 CC for partial structure against native data = 41.10 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.371, Connect. = 0.693 for dens.mod. cycle 1 = 0.300, Contrast = 0.420, Connect. = 0.717 for dens.mod. cycle 2 = 0.300, Contrast = 0.500, Connect. = 0.748 for dens.mod. cycle 3 = 0.300, Contrast = 0.503, Connect. = 0.748 for dens.mod. cycle 4 = 0.300, Contrast = 0.511, Connect. = 0.750 for dens.mod. cycle 5 = 0.300, Contrast = 0.515, Connect. = 0.751 for dens.mod. cycle 6 = 0.300, Contrast = 0.520, Connect. = 0.753 for dens.mod. cycle 7 = 0.300, Contrast = 0.523, Connect. = 0.753 for dens.mod. cycle 8 = 0.300, Contrast = 0.526, Connect. = 0.755 for dens.mod. cycle 9 = 0.300, Contrast = 0.527, Connect. = 0.755 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1220 peaks > 0.5 sigma used to seed fragment search Space for about 247 unique residues taking solvent into account 260 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 25.255 1.980 0.880 0.836 0.923 0.462 CB 1.527 B: 121 57.192 2.124 0.630 0.655 0.900 0.558 CB 1.451 14 residues pruned to eliminate duplicates C: 13 28.461 2.131 0.785 0.810 1.000 0.667 CB 1.650 13 residues pruned to eliminate duplicates D: 19 27.869 2.193 0.569 0.873 1.000 0.833 CB 1.390 19 residues pruned to eliminate duplicates E: 14 22.629 2.046 0.496 0.835 1.000 0.846 CB 1.537 14 residues pruned to eliminate duplicates F: 51 43.714 2.203 0.669 0.736 0.960 0.720 CB 1.416 52 residues pruned to eliminate duplicates G: 20 19.034 2.032 0.523 0.545 1.000 0.632 CB 1.350 H: 16 21.817 1.939 0.537 0.901 1.000 0.667 CB 1.349 I: 14 21.652 2.071 0.590 0.802 1.000 0.692 CB 1.401 14 residues pruned to eliminate duplicates J: 73 44.101 2.128 0.614 0.682 0.931 0.681 CB 1.375 73 residues pruned to eliminate duplicates K: 11 20.670 2.207 0.366 0.873 1.000 0.900 CB 1.579 L: 17 20.820 1.968 0.328 0.875 1.000 0.625 CA 1.448 18 residues pruned to eliminate duplicates M: 23 29.807 2.181 0.461 0.866 1.000 0.818 CB 1.460 23 residues pruned to eliminate duplicates N: 7 6.527 1.901 0.932 0.562 0.667 0.667 CB 1.025 O: 65 36.946 2.086 0.559 0.509 0.953 0.500 CB 1.477 31 residues pruned to eliminate duplicates P: 13 23.429 2.142 0.675 0.840 0.917 0.833 CB 1.534 13 residues pruned to eliminate duplicates Q: 13 20.565 2.133 0.634 0.812 0.917 0.750 CB 1.417 13 residues pruned to eliminate duplicates R: 11 20.702 2.195 0.298 0.868 1.000 0.900 CB 1.680 11 residues pruned to eliminate duplicates S: 116 52.177 2.127 0.544 0.631 0.904 0.539 CB 1.449 116 residues pruned to eliminate duplicates T: 13 27.044 2.146 0.786 0.911 1.000 0.833 CB 1.444 13 residues pruned to eliminate duplicates U: 15 17.486 1.927 0.474 0.821 1.000 0.571 CB 1.246 15 residues pruned to eliminate duplicates V: 25 30.961 2.170 0.643 0.856 0.958 0.833 CB 1.365 25 residues pruned to eliminate duplicates W: 25 31.532 2.105 0.579 0.846 1.000 0.750 CB 1.438 25 residues pruned to eliminate duplicates X: 15 23.833 1.957 0.816 0.884 1.000 0.714 CB 1.294 15 residues pruned to eliminate duplicates Y: 16 26.069 2.024 0.752 0.897 1.000 0.733 CB 1.358 19 residues pruned to eliminate duplicates Z: 11 20.545 2.212 0.359 0.870 1.000 0.800 CB 1.578 11 residues pruned to eliminate duplicates Z: 12 14.716 2.071 0.178 0.845 1.000 0.636 CB 1.353 12 residues pruned to eliminate duplicates Z: 11 18.874 1.980 0.615 0.864 1.000 0.900 CB 1.369 11 residues pruned to eliminate duplicates Z: 7 8.460 1.883 0.924 0.565 0.833 0.667 CB 1.075 7 residues pruned to eliminate duplicates Z: 61 35.641 2.126 0.539 0.496 0.933 0.583 CB 1.512 62 residues pruned to eliminate duplicates Z: 24 34.679 2.199 0.778 0.889 0.957 0.783 CB 1.392 24 residues pruned to eliminate duplicates Z: 72 40.066 2.047 0.651 0.604 0.915 0.479 CB 1.393 69 residues pruned to eliminate duplicates Z: 17 20.341 1.911 0.594 0.901 0.938 0.875 CA 1.271 16 residues pruned to eliminate duplicates Z: 23 32.460 2.201 0.611 0.863 1.000 0.773 CB 1.432 23 residues pruned to eliminate duplicates Z: 15 24.063 2.027 0.890 0.837 0.857 0.643 CA 1.465 16 residues pruned to eliminate duplicates Z: 11 15.211 2.089 0.356 0.878 0.900 0.800 CB 1.369 11 residues pruned to eliminate duplicates Z: 13 25.729 2.175 0.654 0.860 1.000 0.667 CA 1.518 13 residues pruned to eliminate duplicates Z: 16 16.844 1.963 0.303 0.894 0.933 0.733 CA 1.307 15 residues pruned to eliminate duplicates Z: 52 40.055 2.187 0.638 0.719 0.922 0.745 CB 1.394 52 residues pruned to eliminate duplicates Z: 43 39.768 2.141 0.755 0.582 0.952 0.619 CB 1.584 44 residues pruned to eliminate duplicates Z: 20 18.904 2.013 0.618 0.549 0.947 0.632 CB 1.339 20 residues pruned to eliminate duplicates Z: 11 21.959 2.153 0.621 0.872 1.000 0.900 CB 1.450 11 residues pruned to eliminate duplicates Z: 9 7.411 1.752 0.958 0.539 0.750 0.500 CB 0.980 8 residues pruned to eliminate duplicates Z: 16 21.860 2.016 0.630 0.877 0.933 0.867 CB 1.336 16 residues pruned to eliminate duplicates Z: 10 14.473 1.964 0.680 0.873 0.889 0.778 CB 1.199 10 residues pruned to eliminate duplicates Z: 41 20.889 1.894 0.485 0.528 0.900 0.575 CB 1.269 41 residues pruned to eliminate duplicates Z: 6 7.807 2.054 0.504 0.712 0.800 0.600 CB 1.166 6 residues pruned to eliminate duplicates Z: 17 24.839 1.991 0.606 0.887 0.938 0.688 CB 1.493 17 residues pruned to eliminate duplicates Z: 10 8.833 1.726 0.360 0.742 1.000 0.556 CA 1.010 10 residues pruned to eliminate duplicates Z: 44 29.448 2.134 0.514 0.522 0.860 0.605 CB 1.581 45 residues pruned to eliminate duplicates Z: 15 21.199 1.954 0.572 0.814 1.000 0.786 CB 1.404 15 residues pruned to eliminate duplicates Z: 15 27.912 2.012 0.958 0.834 0.929 0.643 CA 1.528 14 residues pruned to eliminate duplicates Z: 9 18.275 2.027 0.541 0.928 1.000 0.750 CB 1.448 9 residues pruned to eliminate duplicates Z: 9 16.316 2.009 0.454 0.917 1.000 0.625 CB 1.394 9 residues pruned to eliminate duplicates Z: 94 50.066 2.106 0.746 0.663 0.871 0.677 CB 1.394 94 residues pruned to eliminate duplicates Z: 9 13.980 1.838 0.548 0.900 1.000 0.750 CA 1.241 9 residues pruned to eliminate duplicates Z: 31 31.460 2.111 0.695 0.587 0.967 0.633 CA 1.528 31 residues pruned to eliminate duplicates Z: 44 34.743 2.123 0.667 0.528 0.930 0.558 CB 1.565 44 residues pruned to eliminate duplicates Z: 10 21.637 2.057 0.659 0.902 1.000 0.889 CB 1.508 10 residues pruned to eliminate duplicates Z: 25 27.771 2.094 0.428 0.842 1.000 0.792 CB 1.413 25 residues pruned to eliminate duplicates Z: 12 18.264 2.091 0.527 0.819 1.000 0.909 CB 1.308 12 residues pruned to eliminate duplicates Z: 69 38.601 2.104 0.569 0.648 0.912 0.662 CB 1.355 69 residues pruned to eliminate duplicates Z: 10 18.460 2.038 0.528 0.904 1.000 0.889 CB 1.407 10 residues pruned to eliminate duplicates Z: 7 3.970 1.726 0.320 0.381 0.667 0.333 CB 1.211 7 residues pruned to eliminate duplicates Z: 26 33.931 2.091 0.846 0.837 0.960 0.720 CB 1.370 26 residues pruned to eliminate duplicates Z: 13 16.811 1.926 0.634 0.868 0.917 0.833 CB 1.230 13 residues pruned to eliminate duplicates Z: 11 22.348 2.015 0.736 0.873 1.000 0.900 CB 1.471 11 residues pruned to eliminate duplicates Z: 26 27.994 2.056 0.616 0.853 0.920 0.680 CB 1.353 26 residues pruned to eliminate duplicates Z: 25 29.945 2.110 0.503 0.845 1.000 0.875 CB 1.434 25 residues pruned to eliminate duplicates Z: 9 18.207 1.993 0.572 0.890 1.000 0.750 CA 1.478 9 residues pruned to eliminate duplicates Z: 11 16.645 2.070 0.333 0.886 1.000 0.800 CB 1.377 11 residues pruned to eliminate duplicates Z: 14 22.117 1.979 0.644 0.838 1.000 0.692 CA 1.409 14 residues pruned to eliminate duplicates Z: 13 19.195 2.190 0.662 0.840 0.833 0.417 CB 1.363 13 residues pruned to eliminate duplicates Z: 16 31.298 2.050 0.819 0.913 1.000 0.667 CA 1.535 19 residues pruned to eliminate duplicates Z: 9 15.461 2.016 0.374 0.881 1.000 1.000 CB 1.429 9 residues pruned to eliminate duplicates Z: 27 28.659 2.029 0.619 0.861 0.962 0.769 CB 1.307 27 residues pruned to eliminate duplicates Z: 16 25.877 2.030 0.726 0.891 0.933 0.733 CB 1.469 16 residues pruned to eliminate duplicates Z: 18 17.042 1.870 0.185 0.912 1.000 0.941 CA 1.321 18 residues pruned to eliminate duplicates Z: 14 18.799 1.763 0.650 0.856 1.000 0.769 CA 1.322 14 residues pruned to eliminate duplicates Z: 6 9.559 1.676 0.426 0.762 1.000 0.800 O 1.417 6 residues pruned to eliminate duplicates Z: 12 16.523 2.170 0.293 0.850 0.909 0.818 CA 1.447 12 residues pruned to eliminate duplicates Z: 9 14.111 1.770 0.543 0.888 1.000 0.875 N 1.316 9 residues pruned to eliminate duplicates Z: 9 15.195 1.843 0.513 0.918 1.000 1.000 CB 1.359 9 residues pruned to eliminate duplicates Z: 91 47.291 2.116 0.595 0.602 0.933 0.567 CB 1.435 91 residues pruned to eliminate duplicates Z: 16 20.663 1.868 0.633 0.837 0.933 0.733 CA 1.402 16 residues pruned to eliminate duplicates Z: 108 50.770 2.162 0.589 0.617 0.879 0.645 CB 1.456 108 residues pruned to eliminate duplicates Z: 6 6.176 1.911 0.458 0.548 0.600 0.200 CA 1.576 6 residues pruned to eliminate duplicates Z: 11 16.137 2.034 0.264 0.897 1.000 0.900 CA 1.422 11 residues pruned to eliminate duplicates Z: 24 26.366 1.997 0.651 0.724 0.913 0.609 CA 1.491 19 residues pruned to eliminate duplicates Z: 13 12.084 1.885 0.309 0.829 0.833 0.750 CB 1.277 13 residues pruned to eliminate duplicates Z: 16 18.056 1.893 0.281 0.891 1.000 0.733 CB 1.383 16 residues pruned to eliminate duplicates Z: 60 31.724 2.064 0.523 0.503 0.881 0.559 CB 1.487 60 residues pruned to eliminate duplicates Z: 11 21.829 2.206 0.526 0.871 1.000 1.000 CB 1.495 11 residues pruned to eliminate duplicates Z: 64 36.602 2.090 0.554 0.527 0.921 0.556 CB 1.501 64 residues pruned to eliminate duplicates Z: 15 20.635 1.874 0.703 0.829 0.929 0.500 CB 1.401 15 residues pruned to eliminate duplicates Z: 42 31.817 2.152 0.525 0.523 0.951 0.634 CB 1.555 42 residues pruned to eliminate duplicates Z: 26 31.114 2.063 0.813 0.827 0.960 0.520 CB 1.307 26 residues pruned to eliminate duplicates Z: 13 17.110 1.846 0.600 0.837 1.000 0.417 CB 1.250 13 residues pruned to eliminate duplicates Z: 119 55.511 2.100 0.639 0.644 0.932 0.551 CB 1.392 119 residues pruned to eliminate duplicates Z: 25 33.624 2.122 0.646 0.877 1.000 0.750 CB 1.426 25 residues pruned to eliminate duplicates Z: 25 27.384 2.009 0.675 0.748 0.917 0.625 CB 1.453 23 residues pruned to eliminate duplicates Z: 17 21.327 1.932 0.502 0.868 0.938 0.562 CB 1.433 17 residues pruned to eliminate duplicates Z: 9 10.253 1.826 0.253 0.876 1.000 0.875 CA 1.151 9 residues pruned to eliminate duplicates Z: 17 20.835 1.957 0.549 0.912 0.875 0.750 CB 1.390 17 residues pruned to eliminate duplicates Z: 9 17.409 2.005 0.495 0.920 1.000 0.500 CB 1.447 9 residues pruned to eliminate duplicates Z: 74 46.033 2.092 0.695 0.674 0.945 0.726 CB 1.369 82 residues pruned to eliminate duplicates Z: 69 32.893 2.036 0.519 0.487 0.897 0.603 CB 1.457 69 residues pruned to eliminate duplicates Z: 12 19.305 1.939 0.664 0.839 1.000 0.455 CB 1.347 12 residues pruned to eliminate duplicates Z: 10 11.514 1.911 0.055 0.907 1.000 0.889 CB 1.353 10 residues pruned to eliminate duplicates Z: 51 38.468 2.226 0.506 0.692 0.940 0.680 CB 1.448 51 residues pruned to eliminate duplicates Z: 14 27.518 2.110 0.913 0.870 0.923 0.615 CA 1.495 15 residues pruned to eliminate duplicates Z: 44 34.288 2.118 0.616 0.587 0.930 0.581 CB 1.511 44 residues pruned to eliminate duplicates Z: 25 28.418 2.105 0.554 0.849 0.958 0.833 CB 1.371 25 residues pruned to eliminate duplicates Z: 11 25.853 2.076 0.799 0.920 1.000 0.800 CB 1.542 11 residues pruned to eliminate duplicates Z: 9 13.095 1.783 0.443 0.830 1.000 0.875 CA 1.353 9 residues pruned to eliminate duplicates Z: 25 31.670 2.128 0.616 0.844 1.000 0.792 CB 1.400 25 residues pruned to eliminate duplicates Z: 14 15.801 1.961 0.330 0.837 1.000 0.846 CA 1.256 14 residues pruned to eliminate duplicates Z: 52 45.008 2.178 0.663 0.750 0.961 0.765 CB 1.448 52 residues pruned to eliminate duplicates Z: 74 46.930 2.123 0.604 0.678 0.986 0.671 CB 1.388 74 residues pruned to eliminate duplicates Z: 24 32.407 2.168 0.699 0.847 1.000 0.565 CB 1.362 24 residues pruned to eliminate duplicates Z: 14 19.422 1.968 0.680 0.876 0.846 0.308 CB 1.399 14 residues pruned to eliminate duplicates Z: 14 19.470 1.993 0.357 0.892 1.000 0.923 CA 1.435 14 residues pruned to eliminate duplicates Z: 55 40.004 2.132 0.590 0.709 0.963 0.833 CB 1.380 55 residues pruned to eliminate duplicates Z: 28 19.098 1.965 0.419 0.629 0.852 0.481 CB 1.370 28 residues pruned to eliminate duplicates Z: 25 32.880 2.115 0.719 0.852 1.000 0.583 CB 1.365 25 residues pruned to eliminate duplicates Z: 16 19.705 1.979 0.605 0.875 0.867 0.600 CB 1.345 16 residues pruned to eliminate duplicates Z: 12 16.626 1.892 0.540 0.792 1.000 0.545 CB 1.331 12 residues pruned to eliminate duplicates Z: 16 24.635 2.023 0.504 0.893 1.000 0.933 CA 1.501 16 residues pruned to eliminate duplicates Z: 14 20.859 1.984 0.590 0.856 1.000 0.769 CB 1.353 14 residues pruned to eliminate duplicates Z: 10 10.135 1.710 0.478 0.844 0.889 0.778 CA 1.119 10 residues pruned to eliminate duplicates Z: 9 13.678 1.994 0.124 0.891 1.000 0.625 CB 1.551 9 residues pruned to eliminate duplicates Z: 12 14.597 1.941 0.505 0.821 0.909 0.818 CB 1.255 12 residues pruned to eliminate duplicates Z: 24 30.679 2.173 0.550 0.871 1.000 0.826 CB 1.386 24 residues pruned to eliminate duplicates Z: 37 21.224 1.985 0.534 0.538 0.889 0.500 CB 1.259 37 residues pruned to eliminate duplicates Z: 8 8.685 1.821 0.110 0.832 0.857 0.714 N 1.422 8 residues pruned to eliminate duplicates Z: 6 3.183 1.349 -0.134 0.815 1.000 0.800 O 0.928 Z: 29 23.644 2.034 0.762 0.603 0.857 0.607 CB 1.318 29 residues pruned to eliminate duplicates Z: 12 15.711 2.095 0.592 0.834 0.909 0.818 CB 1.171 12 residues pruned to eliminate duplicates Z: 6 7.800 1.714 0.302 0.849 1.000 0.800 CA 1.159 6 residues pruned to eliminate duplicates Z: 8 8.476 2.015 0.616 0.447 0.714 0.571 C 1.454 8 residues pruned to eliminate duplicates Z: 13 19.065 1.852 0.871 0.825 1.000 0.667 CB 1.199 13 residues pruned to eliminate duplicates Z: 14 23.803 2.080 0.649 0.885 0.923 0.769 CB 1.506 14 residues pruned to eliminate duplicates Z: 11 6.697 1.931 0.406 0.412 0.700 0.500 CB 1.223 11 residues pruned to eliminate duplicates Z: 6 7.430 1.736 0.548 0.784 0.800 0.600 CB 1.203 6 residues pruned to eliminate duplicates Z: 8 12.403 1.888 0.294 0.860 1.000 1.000 CA 1.411 8 residues pruned to eliminate duplicates Z: 7 10.907 2.129 0.607 0.602 0.833 0.667 CB 1.416 Z: 24 33.574 2.183 0.718 0.869 1.000 0.609 CB 1.363 24 residues pruned to eliminate duplicates Z: 19 14.783 2.016 0.592 0.500 0.889 0.722 CB 1.222 19 residues pruned to eliminate duplicates Z: 65 47.275 2.119 0.751 0.723 0.953 0.766 CB 1.367 65 residues pruned to eliminate duplicates Z: 13 22.953 2.149 0.548 0.818 1.000 0.917 CB 1.511 13 residues pruned to eliminate duplicates Z: 19 20.336 2.174 0.533 0.569 0.944 0.556 CB 1.424 19 residues pruned to eliminate duplicates Z: 10 11.652 1.816 0.581 0.839 0.889 0.667 CA 1.137 10 residues pruned to eliminate duplicates Z: 13 6.915 1.927 0.156 0.326 0.750 0.417 CA 1.447 13 residues pruned to eliminate duplicates Z: 9 15.870 1.941 0.612 0.867 1.000 0.625 CB 1.311 9 residues pruned to eliminate duplicates Z: 25 29.613 2.102 0.554 0.866 1.000 0.792 CB 1.355 25 residues pruned to eliminate duplicates Z: 25 32.466 2.104 0.695 0.871 1.000 0.750 CB 1.356 25 residues pruned to eliminate duplicates Z: 11 23.513 2.177 0.675 0.843 1.000 0.600 CB 1.518 11 residues pruned to eliminate duplicates Z: 6 13.799 1.996 0.566 0.837 1.000 0.600 CB 1.476 6 residues pruned to eliminate duplicates Z: 6 5.058 1.874 0.249 0.731 0.800 0.600 CB 0.982 6 residues pruned to eliminate duplicates Z: 18 22.180 1.926 0.574 0.894 1.000 0.706 CA 1.273 17 residues pruned to eliminate duplicates Z: 8 9.643 1.620 0.581 0.834 1.000 0.857 CB 1.067 8 residues pruned to eliminate duplicates Z: 18 15.261 1.795 0.273 0.799 1.000 0.588 CB 1.247 18 residues pruned to eliminate duplicates Z: 15 25.509 2.032 0.605 0.920 1.000 0.714 CB 1.472 15 residues pruned to eliminate duplicates Z: 18 18.085 1.818 0.336 0.864 1.000 0.588 CB 1.325 18 residues pruned to eliminate duplicates Z: 9 5.750 1.712 0.336 0.492 0.875 0.375 CA 1.024 9 residues pruned to eliminate duplicates Z: 17 18.236 1.962 0.456 0.872 0.875 0.688 CB 1.330 16 residues pruned to eliminate duplicates Z: 26 22.951 2.081 0.528 0.586 0.880 0.720 CA 1.511 26 residues pruned to eliminate duplicates Z: 16 20.201 1.860 0.585 0.810 0.933 0.667 CB 1.447 16 residues pruned to eliminate duplicates Z: 43 21.109 1.973 0.364 0.477 0.929 0.524 CB 1.334 43 residues pruned to eliminate duplicates Z: 20 19.505 2.091 0.690 0.690 0.842 0.474 CB 1.264 20 residues pruned to eliminate duplicates Z: 32 16.301 1.998 0.422 0.513 0.742 0.484 CB 1.372 32 residues pruned to eliminate duplicates Z: 40 30.752 2.117 0.505 0.569 0.923 0.667 CB 1.567 40 residues pruned to eliminate duplicates Z: 25 21.323 2.007 0.481 0.558 0.958 0.583 CB 1.443 25 residues pruned to eliminate duplicates Z: 25 26.202 2.102 0.590 0.867 0.917 0.583 CB 1.276 25 residues pruned to eliminate duplicates Z: 21 18.160 1.994 0.633 0.645 0.850 0.650 CB 1.281 21 residues pruned to eliminate duplicates Z: 8 6.654 1.665 0.467 0.796 0.714 0.714 CB 1.113 8 residues pruned to eliminate duplicates Z: 18 14.663 1.781 0.292 0.818 1.000 0.706 CB 1.173 18 residues pruned to eliminate duplicates Z: 14 11.379 1.897 0.297 0.649 0.846 0.615 CB 1.319 14 residues pruned to eliminate duplicates Z: 25 25.444 2.014 0.589 0.654 0.958 0.375 CB 1.467 25 residues pruned to eliminate duplicates Z: 10 17.190 1.866 0.644 0.939 1.000 0.889 CA 1.298 10 residues pruned to eliminate duplicates Z: 6 10.930 1.956 0.463 0.862 1.000 0.800 CA 1.254 6 residues pruned to eliminate duplicates Z: 7 5.916 1.743 -0.078 0.769 1.000 0.500 CA 1.184 7 residues pruned to eliminate duplicates Z: 22 18.270 1.884 0.487 0.682 0.905 0.476 CB 1.331 22 residues pruned to eliminate duplicates Z: 12 17.890 1.892 0.443 0.898 1.000 0.909 CB 1.413 12 residues pruned to eliminate duplicates Z: 6 3.534 1.454 0.146 0.521 1.000 0.400 CB 0.929 4 residues pruned to eliminate duplicates Z: 53 39.088 2.146 0.622 0.676 0.942 0.731 CB 1.405 53 residues pruned to eliminate duplicates Z: 9 7.946 1.833 0.383 0.715 0.875 0.625 CA 1.043 9 residues pruned to eliminate duplicates Z: 21 26.147 2.190 0.582 0.587 0.950 0.800 CA 1.635 23 residues pruned to eliminate duplicates Z: 10 15.369 1.795 0.642 0.861 1.000 0.667 CB 1.277 10 residues pruned to eliminate duplicates Z: 8 6.506 1.929 0.024 0.816 1.000 0.714 CA 0.946 8 residues pruned to eliminate duplicates Z: 11 21.183 2.008 0.825 0.651 1.000 0.600 CA 1.588 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 15 22.546 2.189 0.529 0.812 0.929 0.643 CB 1.478 15 residues pruned to eliminate duplicates Z: 53 36.174 2.162 0.556 0.658 0.923 0.692 CB 1.395 53 residues pruned to eliminate duplicates Z: 106 52.719 2.162 0.638 0.619 0.914 0.533 CB 1.420 106 residues pruned to eliminate duplicates Z: 52 43.030 2.208 0.667 0.695 0.961 0.667 CB 1.426 52 residues pruned to eliminate duplicates Z: 17 17.271 2.010 0.716 0.680 0.875 0.625 CB 1.212 17 residues pruned to eliminate duplicates Z: 107 50.695 2.136 0.664 0.608 0.925 0.547 CB 1.353 107 residues pruned to eliminate duplicates Z: 52 40.910 2.202 0.648 0.701 0.961 0.784 CB 1.368 52 residues pruned to eliminate duplicates Z: 119 58.840 2.131 0.644 0.648 0.949 0.695 CB 1.419 119 residues pruned to eliminate duplicates Z: 62 42.258 2.182 0.575 0.712 0.918 0.607 CB 1.414 62 residues pruned to eliminate duplicates Z: 29 24.366 2.000 0.708 0.643 0.893 0.429 CB 1.321 29 residues pruned to eliminate duplicates Z: 16 21.398 2.122 0.812 0.696 0.867 0.533 CB 1.387 16 residues pruned to eliminate duplicates Z: 120 59.004 2.140 0.611 0.653 0.950 0.555 CB 1.433 120 residues pruned to eliminate duplicates Z: 61 45.675 2.215 0.612 0.715 0.933 0.617 CB 1.456 61 residues pruned to eliminate duplicates Z: 118 56.388 2.159 0.569 0.647 0.923 0.615 CB 1.453 118 residues pruned to eliminate duplicates Z: 93 50.830 2.170 0.589 0.634 0.946 0.620 CB 1.434 93 residues pruned to eliminate duplicates Z: 120 53.875 2.127 0.595 0.636 0.899 0.571 CB 1.426 120 residues pruned to eliminate duplicates Z: 120 57.930 2.121 0.652 0.635 0.924 0.538 CB 1.445 119 residues pruned to eliminate duplicates Z: 26 26.949 2.083 0.427 0.826 0.960 0.760 CB 1.424 26 residues pruned to eliminate duplicates Z: 119 55.260 2.126 0.563 0.647 0.932 0.542 CB 1.433 119 residues pruned to eliminate duplicates Z: 37 32.081 2.186 0.638 0.685 0.917 0.722 CB 1.374 37 residues pruned to eliminate duplicates Z: 52 38.406 2.176 0.642 0.697 0.941 0.667 CB 1.336 52 residues pruned to eliminate duplicates Z: 71 42.619 2.156 0.557 0.670 0.929 0.629 CB 1.396 71 residues pruned to eliminate duplicates Z: 116 53.267 2.121 0.575 0.652 0.913 0.530 CB 1.413 116 residues pruned to eliminate duplicates Z: 51 41.398 2.235 0.645 0.714 0.940 0.720 CB 1.394 51 residues pruned to eliminate duplicates Z: 100 50.296 2.150 0.588 0.632 0.919 0.636 CB 1.423 100 residues pruned to eliminate duplicates Z: 37 33.306 2.236 0.499 0.687 1.000 0.750 CB 1.395 37 residues pruned to eliminate duplicates Z: 50 41.939 2.247 0.603 0.712 0.939 0.673 CB 1.462 50 residues pruned to eliminate duplicates Z: 64 39.207 2.135 0.630 0.688 0.873 0.603 CB 1.368 64 residues pruned to eliminate duplicates Z: 42 39.259 2.150 0.660 0.776 0.951 0.659 CB 1.415 42 residues pruned to eliminate duplicates Z: 64 43.715 2.186 0.701 0.703 0.889 0.603 CB 1.384 64 residues pruned to eliminate duplicates Z: 51 38.360 2.232 0.652 0.706 0.880 0.660 CB 1.386 51 residues pruned to eliminate duplicates Z: 119 55.666 2.136 0.593 0.638 0.915 0.542 CB 1.446 119 residues pruned to eliminate duplicates Z: 53 43.728 2.227 0.696 0.682 0.942 0.596 CB 1.442 53 residues pruned to eliminate duplicates Z: 116 49.111 2.082 0.575 0.631 0.878 0.565 CB 1.406 116 residues pruned to eliminate duplicates Z: 43 43.423 2.218 0.789 0.736 0.952 0.690 CB 1.435 42 residues pruned to eliminate duplicates Z: 25 34.515 2.148 0.674 0.851 1.000 0.875 CB 1.450 25 residues pruned to eliminate duplicates Z: 52 42.662 2.207 0.725 0.708 0.922 0.627 CB 1.410 52 residues pruned to eliminate duplicates Z: 38 36.638 2.209 0.636 0.672 0.973 0.622 CB 1.461 38 residues pruned to eliminate duplicates Z: 35 37.001 2.244 0.641 0.711 0.971 0.706 CB 1.466 35 residues pruned to eliminate duplicates Z: 58 45.962 2.162 0.698 0.712 0.947 0.596 CB 1.444 58 residues pruned to eliminate duplicates Z: 117 54.931 2.145 0.566 0.662 0.905 0.612 CB 1.444 117 residues pruned to eliminate duplicates Z: 47 32.974 2.174 0.393 0.719 0.935 0.761 CB 1.409 47 residues pruned to eliminate duplicates Z: 119 54.894 2.146 0.618 0.659 0.873 0.534 CB 1.439 119 residues pruned to eliminate duplicates Z: 119 53.141 2.137 0.525 0.637 0.924 0.568 CB 1.429 119 residues pruned to eliminate duplicates Z: 120 56.089 2.119 0.615 0.645 0.916 0.664 CB 1.433 120 residues pruned to eliminate duplicates Z: 70 43.741 2.132 0.624 0.678 0.913 0.623 CB 1.414 70 residues pruned to eliminate duplicates Z: 119 54.606 2.135 0.617 0.652 0.915 0.517 CB 1.381 119 residues pruned to eliminate duplicates Z: 60 43.547 2.133 0.669 0.705 0.932 0.610 CB 1.417 60 residues pruned to eliminate duplicates Z: 61 50.481 2.207 0.727 0.742 0.967 0.617 CB 1.424 61 residues pruned to eliminate duplicates Z: 14 20.673 1.934 0.720 0.738 1.000 0.462 CB 1.392 14 residues pruned to eliminate duplicates Z: 70 44.286 2.140 0.642 0.702 0.957 0.667 CB 1.319 70 residues pruned to eliminate duplicates Z: 118 58.197 2.141 0.612 0.657 0.932 0.650 CB 1.447 118 residues pruned to eliminate duplicates Z: 61 45.960 2.205 0.570 0.728 0.950 0.633 CB 1.469 61 residues pruned to eliminate duplicates Z: 109 52.333 2.141 0.593 0.610 0.935 0.583 CB 1.423 109 residues pruned to eliminate duplicates Z: 109 50.025 2.155 0.599 0.613 0.898 0.593 CB 1.397 109 residues pruned to eliminate duplicates Z: 120 51.650 2.118 0.583 0.633 0.899 0.597 CB 1.386 120 residues pruned to eliminate duplicates Z: 58 37.668 2.152 0.630 0.584 0.912 0.544 CB 1.439 58 residues pruned to eliminate duplicates Z: 72 46.325 2.126 0.731 0.697 0.944 0.662 CB 1.322 72 residues pruned to eliminate duplicates Z: 122 56.865 2.120 0.641 0.651 0.909 0.587 CB 1.419 122 residues pruned to eliminate duplicates Z: 71 46.277 2.136 0.631 0.699 0.957 0.714 CB 1.384 71 residues pruned to eliminate duplicates Z: 92 49.816 2.150 0.540 0.647 0.945 0.692 CB 1.455 92 residues pruned to eliminate duplicates Z: 105 49.764 2.111 0.592 0.638 0.923 0.567 CB 1.383 105 residues pruned to eliminate duplicates Z: 119 59.323 2.142 0.645 0.658 0.915 0.593 CB 1.462 119 residues pruned to eliminate duplicates Z: 71 44.103 2.147 0.634 0.684 0.914 0.671 CB 1.389 71 residues pruned to eliminate duplicates Z: 83 43.475 2.166 0.545 0.625 0.915 0.659 CB 1.393 83 residues pruned to eliminate duplicates Z: 105 53.315 2.121 0.599 0.641 0.962 0.596 CB 1.405 105 residues pruned to eliminate duplicates Z: 34 16.235 1.958 0.391 0.469 0.818 0.515 CB 1.309 34 residues pruned to eliminate duplicates Z: 87 46.656 2.157 0.591 0.660 0.907 0.581 CB 1.393 87 residues pruned to eliminate duplicates Z: 98 51.708 2.167 0.617 0.644 0.907 0.660 CB 1.444 98 residues pruned to eliminate duplicates Z: 117 54.861 2.121 0.666 0.634 0.914 0.586 CB 1.391 117 residues pruned to eliminate duplicates Z: 78 43.463 2.108 0.669 0.666 0.935 0.714 CB 1.290 78 residues pruned to eliminate duplicates Z: 117 54.372 2.112 0.620 0.644 0.922 0.500 CB 1.398 118 residues pruned to eliminate duplicates Z: 15 17.000 2.054 0.436 0.719 0.929 0.643 CB 1.362 15 residues pruned to eliminate duplicates Z: 44 31.440 2.095 0.663 0.597 0.953 0.651 CB 1.316 44 residues pruned to eliminate duplicates Z: 52 35.618 2.112 0.700 0.585 0.843 0.451 CB 1.518 52 residues pruned to eliminate duplicates Z: 69 36.093 2.101 0.519 0.614 0.882 0.515 CB 1.395 69 residues pruned to eliminate duplicates Z: 48 32.789 2.089 0.635 0.607 0.872 0.532 CB 1.451 49 residues pruned to eliminate duplicates Z: 14 23.476 2.110 0.735 0.849 0.846 0.692 CB 1.559 14 residues pruned to eliminate duplicates Z: 58 34.791 2.086 0.644 0.577 0.860 0.491 CB 1.451 57 residues pruned to eliminate duplicates Z: 13 18.569 2.091 0.468 0.846 0.917 0.833 CA 1.415 13 residues pruned to eliminate duplicates Z: 70 37.533 2.081 0.536 0.605 0.884 0.565 CB 1.447 70 residues pruned to eliminate duplicates Z: 14 22.059 2.006 0.724 0.832 0.923 0.538 CA 1.438 14 residues pruned to eliminate duplicates Z: 84 42.269 2.130 0.548 0.585 0.916 0.663 CB 1.416 84 residues pruned to eliminate duplicates Z: 30 25.895 2.164 0.673 0.533 0.862 0.483 CB 1.491 30 residues pruned to eliminate duplicates Z: 29 29.529 2.145 0.793 0.535 0.929 0.607 CB 1.509 29 residues pruned to eliminate duplicates Z: 119 58.121 2.123 0.592 0.666 0.949 0.712 CB 1.430 119 residues pruned to eliminate duplicates Z: 53 34.177 2.076 0.606 0.589 0.904 0.423 CB 1.444 53 residues pruned to eliminate duplicates Z: 56 35.430 2.107 0.524 0.588 0.927 0.600 CB 1.475 56 residues pruned to eliminate duplicates Z: 49 34.111 2.101 0.579 0.619 0.917 0.312 CB 1.446 49 residues pruned to eliminate duplicates Z: 7 10.112 2.167 0.099 0.498 1.000 0.333 CA 1.737 7 residues pruned to eliminate duplicates Z: 33 26.960 2.102 0.650 0.547 0.938 0.438 CA 1.400 33 residues pruned to eliminate duplicates Z: 33 30.202 2.143 0.779 0.518 0.906 0.531 CB 1.518 33 residues pruned to eliminate duplicates Z: 107 53.344 2.186 0.599 0.623 0.925 0.670 CB 1.427 107 residues pruned to eliminate duplicates Z: 90 49.872 2.174 0.608 0.600 0.944 0.674 CB 1.457 90 residues pruned to eliminate duplicates Z: 103 50.320 2.122 0.576 0.628 0.922 0.598 CB 1.433 103 residues pruned to eliminate duplicates Z: 21 16.708 2.033 0.407 0.522 0.850 0.400 CB 1.503 21 residues pruned to eliminate duplicates Z: 25 20.812 2.039 0.436 0.641 0.833 0.292 CB 1.526 25 residues pruned to eliminate duplicates Z: 7 6.229 1.912 0.192 0.468 1.000 0.167 CB 1.153 7 residues pruned to eliminate duplicates Z: 27 19.625 1.957 0.391 0.617 0.923 0.423 CB 1.372 27 residues pruned to eliminate duplicates Z: 27 19.976 2.010 0.374 0.614 0.885 0.385 CB 1.440 27 residues pruned to eliminate duplicates Z: 33 28.241 2.098 0.468 0.614 0.938 0.594 CB 1.551 33 residues pruned to eliminate duplicates Z: 16 20.684 2.038 0.592 0.845 0.867 0.667 CB 1.412 16 residues pruned to eliminate duplicates Z: 119 59.927 2.144 0.614 0.656 0.941 0.669 CB 1.466 119 residues pruned to eliminate duplicates Z: 34 23.534 1.991 0.436 0.537 0.909 0.485 CB 1.520 34 residues pruned to eliminate duplicates Z: 104 48.639 2.108 0.495 0.633 0.942 0.602 CB 1.426 104 residues pruned to eliminate duplicates Z: 16 23.342 2.037 0.612 0.882 0.933 0.400 CB 1.423 16 residues pruned to eliminate duplicates Z: 26 22.394 1.993 0.632 0.598 0.880 0.440 CA 1.425 26 residues pruned to eliminate duplicates Z: 26 21.988 2.019 0.451 0.657 0.920 0.520 CB 1.411 26 residues pruned to eliminate duplicates Z: 26 24.179 2.016 0.453 0.683 0.960 0.480 CB 1.454 26 residues pruned to eliminate duplicates Z: 25 21.280 2.043 0.431 0.628 0.875 0.500 CA 1.506 25 residues pruned to eliminate duplicates Z: 21 17.844 2.064 0.447 0.530 0.850 0.450 CA 1.526 21 residues pruned to eliminate duplicates Z: 23 17.234 1.980 0.458 0.477 0.909 0.318 CB 1.434 23 residues pruned to eliminate duplicates Z: 68 34.195 2.045 0.607 0.517 0.881 0.612 CB 1.419 70 residues pruned to eliminate duplicates Z: 7 8.264 1.937 0.353 0.586 1.000 0.333 CA 1.186 7 residues pruned to eliminate duplicates Z: 63 38.779 2.112 0.580 0.529 0.952 0.565 CB 1.506 62 residues pruned to eliminate duplicates Z: 6 6.558 1.897 0.499 0.664 1.000 0.600 CA 0.886 6 residues pruned to eliminate duplicates Z: 64 36.451 2.114 0.519 0.506 0.937 0.571 CB 1.517 64 residues pruned to eliminate duplicates Z: 9 8.714 1.855 0.807 0.512 0.875 0.625 CA 1.038 9 residues pruned to eliminate duplicates Z: 65 35.909 2.085 0.594 0.494 0.922 0.562 CB 1.474 65 residues pruned to eliminate duplicates Z: 12 22.761 2.241 0.612 0.761 1.000 0.727 CB 1.506 12 residues pruned to eliminate duplicates Z: 63 32.027 2.111 0.427 0.496 0.903 0.548 CB 1.501 63 residues pruned to eliminate duplicates Z: 31 28.756 2.127 0.589 0.527 0.967 0.600 CA 1.564 31 residues pruned to eliminate duplicates Z: 64 37.787 2.107 0.671 0.508 0.889 0.603 CB 1.509 64 residues pruned to eliminate duplicates Z: 12 19.824 2.089 0.616 0.839 1.000 0.636 CB 1.321 12 residues pruned to eliminate duplicates Z: 56 33.362 2.110 0.510 0.482 0.927 0.618 CB 1.552 56 residues pruned to eliminate duplicates Z: 44 31.529 2.121 0.595 0.517 0.907 0.558 CB 1.541 44 residues pruned to eliminate duplicates Z: 44 28.688 2.100 0.570 0.511 0.837 0.558 CA 1.567 44 residues pruned to eliminate duplicates Z: 53 34.258 2.113 0.480 0.494 0.962 0.635 CB 1.590 53 residues pruned to eliminate duplicates Z: 11 25.152 2.222 0.766 0.830 1.000 0.700 CB 1.525 11 residues pruned to eliminate duplicates Z: 47 26.778 2.073 0.525 0.483 0.848 0.587 CB 1.499 47 residues pruned to eliminate duplicates Z: 62 34.563 2.103 0.482 0.509 0.951 0.607 CB 1.479 62 residues pruned to eliminate duplicates Z: 37 27.537 2.147 0.584 0.470 0.917 0.500 CB 1.518 37 residues pruned to eliminate duplicates Z: 62 32.087 2.071 0.493 0.466 0.918 0.541 CB 1.498 62 residues pruned to eliminate duplicates Z: 61 32.949 2.095 0.530 0.480 0.900 0.617 CB 1.505 61 residues pruned to eliminate duplicates Z: 63 38.600 2.111 0.587 0.513 0.952 0.581 CB 1.518 63 residues pruned to eliminate duplicates Z: 42 24.707 2.009 0.580 0.429 0.902 0.537 CB 1.450 41 residues pruned to eliminate duplicates Z: 6 3.324 1.750 0.161 0.135 0.800 0.600 CA 1.441 6 residues pruned to eliminate duplicates Z: 67 37.249 2.044 0.568 0.526 0.939 0.606 CB 1.484 67 residues pruned to eliminate duplicates Z: 64 39.277 2.080 0.589 0.549 0.952 0.619 CB 1.498 64 residues pruned to eliminate duplicates Z: 65 39.386 2.084 0.607 0.544 0.938 0.578 CB 1.502 65 residues pruned to eliminate duplicates Z: 63 38.125 2.112 0.529 0.553 0.935 0.645 CB 1.523 63 residues pruned to eliminate duplicates Z: 66 36.337 2.055 0.585 0.529 0.923 0.600 CB 1.457 66 residues pruned to eliminate duplicates Z: 63 39.602 2.117 0.620 0.554 0.903 0.613 CB 1.539 63 residues pruned to eliminate duplicates Z: 65 40.119 2.084 0.626 0.547 0.953 0.594 CB 1.484 65 residues pruned to eliminate duplicates Z: 34 23.088 1.999 0.490 0.480 0.939 0.606 CB 1.466 34 residues pruned to eliminate duplicates Z: 43 34.168 2.147 0.589 0.583 0.905 0.690 CB 1.577 43 residues pruned to eliminate duplicates Z: 42 28.353 1.999 0.567 0.496 0.976 0.610 CB 1.456 42 residues pruned to eliminate duplicates Z: 13 15.215 1.997 0.842 0.549 0.833 0.500 CB 1.366 13 residues pruned to eliminate duplicates Z: 65 33.540 2.008 0.570 0.513 0.922 0.531 CB 1.425 65 residues pruned to eliminate duplicates Z: 59 34.919 2.096 0.576 0.522 0.914 0.603 CB 1.486 59 residues pruned to eliminate duplicates Z: 38 25.039 2.036 0.524 0.514 0.892 0.595 CB 1.467 38 residues pruned to eliminate duplicates Z: 40 19.652 2.024 0.394 0.459 0.846 0.590 CB 1.375 40 residues pruned to eliminate duplicates Z: 48 24.176 1.992 0.501 0.462 0.872 0.638 CB 1.406 49 residues pruned to eliminate duplicates Z: 6 6.617 1.906 0.489 0.298 1.000 0.400 CA 1.306 6 residues pruned to eliminate duplicates Z: 67 38.470 2.053 0.666 0.567 0.879 0.606 CB 1.476 67 residues pruned to eliminate duplicates Z: 39 24.403 2.002 0.527 0.518 0.895 0.579 CB 1.423 39 residues pruned to eliminate duplicates Z: 18 19.008 2.099 0.494 0.582 0.882 0.588 CB 1.540 18 residues pruned to eliminate duplicates Z: 42 25.293 2.008 0.605 0.522 0.854 0.561 CB 1.405 42 residues pruned to eliminate duplicates Z: 59 39.456 2.109 0.688 0.543 0.931 0.707 CB 1.499 59 residues pruned to eliminate duplicates Z: 65 41.600 2.077 0.744 0.541 0.922 0.625 CB 1.495 65 residues pruned to eliminate duplicates Z: 19 21.694 2.045 0.654 0.572 1.000 0.611 CB 1.411 19 residues pruned to eliminate duplicates Z: 65 39.928 2.070 0.640 0.558 0.938 0.594 CB 1.483 65 residues pruned to eliminate duplicates Z: 40 24.963 1.945 0.575 0.527 0.872 0.590 CB 1.458 40 residues pruned to eliminate duplicates Z: 63 39.995 2.086 0.614 0.551 0.935 0.645 CB 1.536 63 residues pruned to eliminate duplicates Z: 39 27.792 2.007 0.679 0.521 0.921 0.684 CB 1.423 38 residues pruned to eliminate duplicates Z: 10 18.992 1.935 0.738 0.930 1.000 0.889 CB 1.316 11 residues pruned to eliminate duplicates Z: 6 8.679 1.673 0.912 0.362 1.000 0.800 O 1.408 6 residues pruned to eliminate duplicates Z: 15 10.139 2.058 0.373 0.407 0.714 0.286 CA 1.481 15 residues pruned to eliminate duplicates Z: 30 21.669 2.071 0.428 0.659 0.793 0.586 CA 1.480 30 residues pruned to eliminate duplicates Z: 33 25.364 2.010 0.534 0.587 0.906 0.562 CB 1.477 34 residues pruned to eliminate duplicates Z: 8 3.367 1.352 0.838 0.395 0.714 0.143 C 0.801 8 residues pruned to eliminate duplicates Z: 26 22.657 2.023 0.460 0.679 0.840 0.560 CA 1.549 26 residues pruned to eliminate duplicates Z: 29 21.766 1.939 0.466 0.687 0.857 0.607 CA 1.422 29 residues pruned to eliminate duplicates Z: 10 9.635 2.017 0.005 0.537 1.000 0.444 CA 1.527 10 residues pruned to eliminate duplicates Z: 24 24.548 2.076 0.338 0.731 0.957 0.565 CB 1.565 24 residues pruned to eliminate duplicates Z: 19 19.780 1.992 0.211 0.837 1.000 0.667 CA 1.446 19 residues pruned to eliminate duplicates Z: 33 25.805 2.024 0.600 0.603 0.875 0.656 CB 1.461 32 residues pruned to eliminate duplicates Z: 17 22.442 1.946 0.416 0.904 1.000 0.875 CA 1.449 17 residues pruned to eliminate duplicates Z: 55 26.483 1.967 0.443 0.543 0.889 0.444 CB 1.371 55 residues pruned to eliminate duplicates Z: 25 19.198 2.035 0.496 0.624 0.792 0.625 CA 1.446 25 residues pruned to eliminate duplicates Z: 16 20.141 1.949 0.428 0.891 1.000 0.867 CA 1.343 17 residues pruned to eliminate duplicates Z: 16 19.851 1.962 0.315 0.899 1.000 0.733 CA 1.420 16 residues pruned to eliminate duplicates Z: 25 20.590 1.995 0.196 0.716 0.958 0.625 CA 1.512 25 residues pruned to eliminate duplicates Z: 27 21.190 1.980 0.316 0.660 0.962 0.538 CA 1.430 27 residues pruned to eliminate duplicates Z: 28 25.910 1.985 0.514 0.669 0.926 0.630 CA 1.534 28 residues pruned to eliminate duplicates Z: 24 23.571 2.065 0.388 0.726 0.913 0.609 CA 1.532 24 residues pruned to eliminate duplicates Z: 24 25.382 2.007 0.564 0.703 0.957 0.609 CA 1.465 23 residues pruned to eliminate duplicates Z: 18 21.411 1.934 0.547 0.877 0.941 0.765 CA 1.339 18 residues pruned to eliminate duplicates Z: 33 25.440 1.998 0.662 0.577 0.844 0.594 CA 1.490 33 residues pruned to eliminate duplicates Z: 26 25.012 2.009 0.474 0.751 0.960 0.600 CA 1.407 28 residues pruned to eliminate duplicates Z: 17 21.644 1.867 0.611 0.848 1.000 0.625 CA 1.335 17 residues pruned to eliminate duplicates Z: 24 23.894 1.988 0.422 0.762 0.957 0.696 CA 1.460 24 residues pruned to eliminate duplicates 209 residues left after pruning, divided into chains as follows: A: 179 B: 30 CC for partial structure against native data = 41.06 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.370, Connect. = 0.693 for dens.mod. cycle 1 = 0.300, Contrast = 0.416, Connect. = 0.714 for dens.mod. cycle 2 = 0.300, Contrast = 0.499, Connect. = 0.748 for dens.mod. cycle 3 = 0.300, Contrast = 0.502, Connect. = 0.748 for dens.mod. cycle 4 = 0.300, Contrast = 0.510, Connect. = 0.750 for dens.mod. cycle 5 = 0.300, Contrast = 0.514, Connect. = 0.751 for dens.mod. cycle 6 = 0.300, Contrast = 0.519, Connect. = 0.753 for dens.mod. cycle 7 = 0.300, Contrast = 0.521, Connect. = 0.754 for dens.mod. cycle 8 = 0.300, Contrast = 0.525, Connect. = 0.755 for dens.mod. cycle 9 = 0.300, Contrast = 0.526, Connect. = 0.756 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1226 peaks > 0.5 sigma used to seed fragment search Space for about 247 unique residues taking solvent into account 259 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 25.077 2.061 0.853 0.818 0.929 0.571 CB 1.434 B: 24 36.104 2.189 0.744 0.878 1.000 0.870 CB 1.431 C: 15 22.911 2.042 0.365 0.934 1.000 0.857 CA 1.531 D: 13 35.179 2.256 0.999 0.843 1.000 0.667 CA 1.677 14 residues pruned to eliminate duplicates E: 72 47.700 2.177 0.717 0.634 0.930 0.648 CB 1.437 34 residues pruned to eliminate duplicates F: 74 47.413 2.131 0.694 0.635 0.973 0.671 CB 1.392 57 residues pruned to eliminate duplicates G: 50 41.142 2.169 0.768 0.673 0.939 0.510 CB 1.392 50 residues pruned to eliminate duplicates H: 13 19.348 2.112 0.442 0.848 0.833 0.833 CA 1.633 13 residues pruned to eliminate duplicates I: 8 14.306 1.966 0.447 0.825 1.000 0.429 CA 1.434 J: 17 24.412 1.822 0.777 0.874 1.000 0.688 CA 1.372 17 residues pruned to eliminate duplicates K: 16 17.370 1.878 0.420 0.865 0.933 0.733 CA 1.320 16 residues pruned to eliminate duplicates L: 25 37.745 2.130 0.803 0.862 1.000 0.792 CA 1.473 25 residues pruned to eliminate duplicates M: 64 34.477 2.076 0.493 0.500 0.937 0.556 CB 1.496 8 residues pruned to eliminate duplicates N: 118 54.336 2.104 0.581 0.662 0.932 0.607 CB 1.395 93 residues pruned to eliminate duplicates O: 110 47.459 2.106 0.552 0.500 0.945 0.514 CB 1.472 112 residues pruned to eliminate duplicates P: 40 27.566 2.002 0.694 0.531 0.872 0.538 CB 1.449 41 residues pruned to eliminate duplicates Q: 13 14.413 1.936 0.253 0.859 0.917 0.917 CB 1.377 13 residues pruned to eliminate duplicates R: 24 38.962 2.191 0.810 0.890 1.000 0.870 CB 1.474 24 residues pruned to eliminate duplicates S: 16 19.671 1.933 0.442 0.884 1.000 0.733 CB 1.317 16 residues pruned to eliminate duplicates T: 15 22.080 2.047 0.404 0.904 1.000 0.643 CA 1.463 15 residues pruned to eliminate duplicates U: 7 6.758 1.911 0.692 0.569 0.833 0.667 CB 0.957 V: 9 12.495 1.808 0.675 0.773 1.000 0.500 CA 1.146 9 residues pruned to eliminate duplicates W: 13 20.333 2.132 0.475 0.881 0.917 0.833 CB 1.475 13 residues pruned to eliminate duplicates X: 12 17.452 2.103 0.317 0.854 1.000 0.636 CB 1.404 12 residues pruned to eliminate duplicates Y: 12 16.709 1.931 0.445 0.824 1.000 0.727 CB 1.363 12 residues pruned to eliminate duplicates Z: 16 14.310 1.839 0.499 0.787 0.933 0.667 CB 1.115 16 residues pruned to eliminate duplicates Z: 14 22.165 1.993 0.661 0.820 0.923 0.769 CB 1.525 14 residues pruned to eliminate duplicates Z: 9 15.202 1.802 0.678 0.894 1.000 0.625 CA 1.275 9 residues pruned to eliminate duplicates Z: 13 21.162 2.064 0.715 0.862 1.000 0.750 CB 1.267 13 residues pruned to eliminate duplicates Z: 16 22.014 2.032 0.538 0.865 0.933 0.800 CB 1.428 16 residues pruned to eliminate duplicates Z: 13 22.351 2.187 0.650 0.868 0.917 0.750 CB 1.426 13 residues pruned to eliminate duplicates Z: 15 18.752 1.928 0.503 0.874 1.000 0.643 CB 1.260 15 residues pruned to eliminate duplicates Z: 17 20.721 1.925 0.603 0.879 0.875 0.812 CB 1.392 17 residues pruned to eliminate duplicates Z: 13 17.361 1.891 0.535 0.753 1.000 0.750 CA 1.377 13 residues pruned to eliminate duplicates Z: 26 31.360 2.048 0.735 0.859 1.000 0.560 CB 1.299 26 residues pruned to eliminate duplicates Z: 25 34.413 2.103 0.762 0.856 1.000 0.792 CB 1.398 25 residues pruned to eliminate duplicates Z: 14 15.583 1.989 0.485 0.735 0.923 0.385 CB 1.283 14 residues pruned to eliminate duplicates Z: 10 10.326 1.792 0.175 0.808 1.000 0.889 CA 1.250 10 residues pruned to eliminate duplicates Z: 16 19.868 1.931 0.349 0.905 1.000 0.800 CB 1.402 16 residues pruned to eliminate duplicates Z: 10 16.944 1.952 0.439 0.904 1.000 0.667 CB 1.432 10 residues pruned to eliminate duplicates Z: 17 19.966 1.948 0.542 0.856 0.875 0.562 CB 1.400 17 residues pruned to eliminate duplicates Z: 19 20.499 2.023 0.406 0.858 0.889 0.889 CB 1.407 19 residues pruned to eliminate duplicates Z: 17 21.097 1.955 0.303 0.889 1.000 0.625 CB 1.491 17 residues pruned to eliminate duplicates Z: 43 28.256 2.043 0.519 0.523 0.929 0.429 CB 1.479 43 residues pruned to eliminate duplicates Z: 38 23.496 2.053 0.431 0.498 0.892 0.595 CB 1.476 38 residues pruned to eliminate duplicates Z: 8 6.075 1.568 0.807 0.431 1.000 0.714 CB 0.870 9 residues pruned to eliminate duplicates Z: 23 33.982 2.178 0.734 0.875 1.000 0.773 CB 1.395 23 residues pruned to eliminate duplicates Z: 65 35.589 2.051 0.596 0.543 0.906 0.625 CB 1.438 65 residues pruned to eliminate duplicates Z: 12 15.084 2.083 0.330 0.875 0.909 0.909 CB 1.313 12 residues pruned to eliminate duplicates Z: 89 46.454 2.123 0.541 0.661 0.943 0.648 CB 1.382 89 residues pruned to eliminate duplicates Z: 7 9.447 1.888 0.723 0.592 0.833 0.667 CB 1.303 7 residues pruned to eliminate duplicates Z: 8 18.073 1.951 0.844 0.868 1.000 0.571 CA 1.387 8 residues pruned to eliminate duplicates Z: 9 20.671 2.038 0.759 0.930 1.000 0.875 CB 1.426 10 residues pruned to eliminate duplicates Z: 32 28.291 2.104 0.569 0.557 0.935 0.516 CB 1.556 32 residues pruned to eliminate duplicates Z: 16 22.128 1.899 0.631 0.817 1.000 0.667 CA 1.400 16 residues pruned to eliminate duplicates Z: 15 18.379 1.988 0.320 0.909 1.000 1.000 CA 1.329 15 residues pruned to eliminate duplicates Z: 6 6.535 1.759 0.712 0.545 0.800 0.600 CB 1.160 6 residues pruned to eliminate duplicates Z: 9 16.642 2.033 0.462 0.921 1.000 0.875 CB 1.393 9 residues pruned to eliminate duplicates Z: 25 28.577 2.082 0.562 0.836 0.958 0.833 CB 1.401 25 residues pruned to eliminate duplicates Z: 13 20.003 2.134 0.672 0.861 0.917 0.667 CB 1.297 13 residues pruned to eliminate duplicates Z: 18 33.118 2.087 0.851 0.800 1.000 0.471 CB 1.600 18 residues pruned to eliminate duplicates Z: 78 42.632 2.111 0.668 0.644 0.896 0.610 CB 1.346 78 residues pruned to eliminate duplicates Z: 9 14.574 1.932 0.546 0.826 1.000 0.750 CA 1.300 9 residues pruned to eliminate duplicates Z: 11 18.917 2.015 0.544 0.890 1.000 0.700 CB 1.383 11 residues pruned to eliminate duplicates Z: 11 16.497 1.814 0.447 0.902 1.000 0.800 CA 1.419 11 residues pruned to eliminate duplicates Z: 14 18.508 2.039 0.834 0.897 0.923 0.615 CB 1.065 14 residues pruned to eliminate duplicates Z: 64 34.027 2.122 0.467 0.521 0.889 0.619 CB 1.517 64 residues pruned to eliminate duplicates Z: 9 20.981 2.044 0.781 0.929 1.000 0.625 CB 1.426 9 residues pruned to eliminate duplicates Z: 24 24.923 2.046 0.487 0.795 0.913 0.826 CB 1.444 24 residues pruned to eliminate duplicates Z: 6 6.740 1.535 0.439 0.772 1.000 0.800 CA 1.073 6 residues pruned to eliminate duplicates Z: 10 12.454 1.922 0.295 0.904 1.000 0.778 CB 1.188 10 residues pruned to eliminate duplicates Z: 11 24.122 2.223 0.536 0.861 1.000 0.800 CB 1.641 11 residues pruned to eliminate duplicates Z: 119 55.808 2.115 0.602 0.632 0.932 0.593 CB 1.438 119 residues pruned to eliminate duplicates Z: 15 19.353 2.055 0.226 0.901 1.000 0.857 CA 1.464 15 residues pruned to eliminate duplicates Z: 6 7.753 1.872 0.199 0.725 1.000 0.600 CA 1.261 6 residues pruned to eliminate duplicates Z: 19 27.375 2.085 0.649 0.875 0.889 0.833 CA 1.536 19 residues pruned to eliminate duplicates Z: 64 37.880 2.076 0.609 0.527 0.921 0.587 CB 1.511 64 residues pruned to eliminate duplicates Z: 15 19.947 1.953 0.514 0.855 1.000 0.786 CB 1.331 15 residues pruned to eliminate duplicates Z: 12 21.496 2.134 0.693 0.881 1.000 0.727 CB 1.299 12 residues pruned to eliminate duplicates Z: 16 21.844 2.029 0.435 0.857 1.000 0.667 CB 1.428 16 residues pruned to eliminate duplicates Z: 12 15.463 2.049 0.316 0.867 1.000 1.000 CB 1.264 12 residues pruned to eliminate duplicates Z: 14 11.480 1.959 0.291 0.790 0.692 0.462 CB 1.409 14 residues pruned to eliminate duplicates Z: 10 23.399 2.012 0.969 0.918 1.000 0.778 CB 1.388 10 residues pruned to eliminate duplicates Z: 7 5.896 1.502 0.467 0.753 0.833 0.500 CA 1.046 7 residues pruned to eliminate duplicates Z: 11 8.734 1.777 0.439 0.767 0.800 0.600 CB 1.065 11 residues pruned to eliminate duplicates Z: 11 22.485 2.203 0.439 0.909 1.000 0.700 CB 1.593 11 residues pruned to eliminate duplicates Z: 116 59.973 2.169 0.624 0.653 0.930 0.635 CB 1.480 116 residues pruned to eliminate duplicates Z: 15 19.420 1.989 0.425 0.870 1.000 0.857 CA 1.336 15 residues pruned to eliminate duplicates Z: 25 30.193 2.116 0.494 0.821 1.000 0.875 CB 1.475 25 residues pruned to eliminate duplicates Z: 17 19.926 1.919 0.562 0.843 0.875 0.688 CB 1.415 17 residues pruned to eliminate duplicates Z: 10 24.526 2.043 0.975 0.913 1.000 0.889 CB 1.433 10 residues pruned to eliminate duplicates Z: 28 22.602 2.010 0.582 0.640 0.815 0.593 CB 1.472 17 residues pruned to eliminate duplicates Z: 6 7.100 1.851 0.063 0.762 1.000 0.800 N 1.279 6 residues pruned to eliminate duplicates Z: 10 5.960 1.703 0.185 0.504 0.889 0.556 CB 1.103 10 residues pruned to eliminate duplicates Z: 23 34.342 2.191 0.677 0.885 1.000 0.727 CB 1.438 23 residues pruned to eliminate duplicates Z: 12 23.221 2.249 0.634 0.864 0.909 0.818 CA 1.537 12 residues pruned to eliminate duplicates Z: 13 13.899 2.126 0.195 0.665 0.917 0.667 CB 1.479 13 residues pruned to eliminate duplicates Z: 16 24.184 2.025 0.555 0.884 0.933 0.800 CA 1.535 16 residues pruned to eliminate duplicates Z: 14 20.640 2.004 0.647 0.838 0.923 0.692 CA 1.405 14 residues pruned to eliminate duplicates Z: 16 20.374 1.903 0.473 0.902 1.000 0.867 CB 1.338 16 residues pruned to eliminate duplicates Z: 12 11.972 1.909 0.202 0.807 0.909 0.545 CB 1.324 12 residues pruned to eliminate duplicates Z: 42 35.234 2.177 0.551 0.580 0.951 0.610 CA 1.587 42 residues pruned to eliminate duplicates Z: 6 9.448 1.886 0.747 0.633 0.800 0.800 CA 1.415 7 residues pruned to eliminate duplicates Z: 10 19.662 2.040 0.526 0.906 1.000 1.000 CA 1.497 10 residues pruned to eliminate duplicates Z: 25 29.277 2.097 0.546 0.830 1.000 0.833 CB 1.386 25 residues pruned to eliminate duplicates Z: 74 41.184 2.051 0.638 0.694 0.945 0.685 CB 1.271 74 residues pruned to eliminate duplicates Z: 26 21.761 1.988 0.315 0.717 0.920 0.480 CB 1.487 26 residues pruned to eliminate duplicates Z: 8 14.514 1.946 0.460 0.849 1.000 0.714 CA 1.432 8 residues pruned to eliminate duplicates Z: 16 18.935 1.969 0.357 0.872 0.933 0.667 CB 1.429 16 residues pruned to eliminate duplicates Z: 26 30.417 2.098 0.670 0.865 0.920 0.520 CB 1.382 26 residues pruned to eliminate duplicates Z: 16 18.999 1.942 0.335 0.904 1.000 0.733 CB 1.348 16 residues pruned to eliminate duplicates Z: 97 50.980 2.107 0.703 0.654 0.906 0.583 CB 1.387 97 residues pruned to eliminate duplicates Z: 10 16.418 1.938 0.559 0.885 1.000 0.778 CB 1.308 10 residues pruned to eliminate duplicates Z: 13 21.161 2.067 0.623 0.854 0.917 0.583 CA 1.467 13 residues pruned to eliminate duplicates Z: 11 4.806 1.895 0.004 0.367 0.900 0.500 CB 1.023 11 residues pruned to eliminate duplicates Z: 25 35.524 2.094 0.891 0.866 1.000 0.792 CB 1.340 25 residues pruned to eliminate duplicates Z: 25 35.619 2.116 0.770 0.860 1.000 0.667 CB 1.427 25 residues pruned to eliminate duplicates Z: 6 5.734 1.958 0.201 0.495 1.000 0.800 CB 1.096 6 residues pruned to eliminate duplicates Z: 11 13.781 1.995 0.247 0.886 1.000 1.000 CB 1.263 11 residues pruned to eliminate duplicates Z: 6 9.649 1.739 0.715 0.663 1.000 0.800 N 1.244 6 residues pruned to eliminate duplicates Z: 25 31.947 2.086 0.680 0.882 1.000 0.667 CB 1.347 25 residues pruned to eliminate duplicates Z: 9 4.146 1.736 0.245 0.463 0.750 0.375 CB 0.939 9 residues pruned to eliminate duplicates Z: 25 34.902 2.111 0.766 0.864 1.000 0.542 CB 1.400 25 residues pruned to eliminate duplicates Z: 119 50.794 2.104 0.610 0.636 0.864 0.534 CB 1.405 119 residues pruned to eliminate duplicates Z: 42 33.586 2.161 0.567 0.590 0.902 0.610 CB 1.575 42 residues pruned to eliminate duplicates Z: 6 6.387 1.901 0.295 0.616 1.000 0.400 CA 1.040 6 residues pruned to eliminate duplicates Z: 52 37.237 2.172 0.615 0.709 0.882 0.667 CB 1.394 52 residues pruned to eliminate duplicates Z: 25 27.157 2.104 0.466 0.858 0.958 0.792 CB 1.380 25 residues pruned to eliminate duplicates Z: 16 27.428 1.986 0.688 0.900 1.000 0.867 CB 1.509 16 residues pruned to eliminate duplicates Z: 17 10.247 1.896 0.413 0.444 0.875 0.562 CB 1.158 17 residues pruned to eliminate duplicates Z: 30 25.914 1.959 0.619 0.615 0.966 0.586 CB 1.409 30 residues pruned to eliminate duplicates Z: 14 19.245 2.009 0.328 0.908 1.000 1.000 CA 1.420 14 residues pruned to eliminate duplicates Z: 27 17.536 2.036 0.534 0.511 0.962 0.500 CB 1.132 27 residues pruned to eliminate duplicates Z: 14 23.353 2.001 0.617 0.879 0.923 0.923 CB 1.572 14 residues pruned to eliminate duplicates Z: 52 44.739 2.172 0.699 0.735 0.961 0.745 CB 1.430 52 residues pruned to eliminate duplicates Z: 17 11.023 1.888 0.358 0.498 0.938 0.500 CB 1.148 17 residues pruned to eliminate duplicates Z: 11 9.854 1.812 0.650 0.493 0.800 0.600 CB 1.313 7 residues pruned to eliminate duplicates Z: 15 25.054 1.936 0.800 0.894 1.000 0.643 CB 1.378 15 residues pruned to eliminate duplicates Z: 9 17.163 2.028 0.550 0.923 1.000 1.000 CB 1.357 9 residues pruned to eliminate duplicates Z: 13 21.232 2.188 0.300 0.868 1.000 0.667 CB 1.575 13 residues pruned to eliminate duplicates Z: 11 19.190 2.107 0.436 0.843 1.000 0.600 CB 1.494 11 residues pruned to eliminate duplicates Z: 14 23.105 2.011 0.668 0.890 1.000 0.615 CB 1.374 14 residues pruned to eliminate duplicates Z: 10 15.985 1.948 0.371 0.900 1.000 0.889 CB 1.425 10 residues pruned to eliminate duplicates Z: 10 10.585 1.737 0.304 0.794 1.000 0.889 CA 1.203 10 residues pruned to eliminate duplicates Z: 23 28.916 2.134 0.688 0.850 0.955 0.682 CB 1.328 23 residues pruned to eliminate duplicates Z: 117 51.266 2.074 0.562 0.646 0.931 0.586 CB 1.377 117 residues pruned to eliminate duplicates Z: 23 25.295 2.131 0.422 0.876 1.000 0.864 CB 1.293 23 residues pruned to eliminate duplicates Z: 27 22.753 2.035 0.789 0.499 0.846 0.500 CB 1.451 27 residues pruned to eliminate duplicates Z: 11 22.243 2.171 0.451 0.921 1.000 0.900 CB 1.572 11 residues pruned to eliminate duplicates Z: 24 31.767 2.171 0.686 0.881 1.000 0.652 CB 1.311 24 residues pruned to eliminate duplicates Z: 64 44.069 2.128 0.617 0.718 0.968 0.714 CB 1.368 64 residues pruned to eliminate duplicates Z: 9 17.357 1.971 0.538 0.876 1.000 0.750 CB 1.472 9 residues pruned to eliminate duplicates Z: 17 19.504 1.923 0.400 0.860 0.938 0.688 CB 1.420 17 residues pruned to eliminate duplicates Z: 14 18.223 1.938 0.528 0.893 1.000 0.692 CB 1.226 14 residues pruned to eliminate duplicates Z: 11 21.616 2.161 0.895 0.848 0.900 0.600 CB 1.376 11 residues pruned to eliminate duplicates Z: 62 35.204 2.038 0.585 0.557 0.918 0.574 CB 1.437 62 residues pruned to eliminate duplicates Z: 37 21.684 2.017 0.411 0.518 0.889 0.611 CB 1.403 37 residues pruned to eliminate duplicates Z: 12 15.392 1.875 0.531 0.838 1.000 0.909 CB 1.209 12 residues pruned to eliminate duplicates Z: 14 20.202 1.916 0.544 0.827 1.000 0.846 CB 1.427 14 residues pruned to eliminate duplicates Z: 10 20.609 1.973 0.822 0.915 1.000 0.889 CB 1.351 10 residues pruned to eliminate duplicates Z: 7 14.436 2.008 0.464 0.845 1.000 0.500 CA 1.491 7 residues pruned to eliminate duplicates Z: 13 10.068 1.801 0.326 0.486 1.000 0.583 CB 1.234 13 residues pruned to eliminate duplicates Z: 18 21.036 2.124 0.682 0.701 0.882 0.529 CB 1.347 18 residues pruned to eliminate duplicates Z: 32 22.708 1.932 0.481 0.557 1.000 0.548 CB 1.350 32 residues pruned to eliminate duplicates Z: 12 21.950 2.147 0.468 0.899 1.000 0.727 CA 1.500 12 residues pruned to eliminate duplicates Z: 12 11.689 2.201 0.504 0.489 0.818 0.545 CB 1.315 12 residues pruned to eliminate duplicates Z: 16 18.215 1.987 0.432 0.810 0.933 0.400 CB 1.352 16 residues pruned to eliminate duplicates Z: 6 3.231 1.441 0.133 0.500 0.800 0.400 CB 1.106 6 residues pruned to eliminate duplicates Z: 50 44.760 2.200 0.690 0.737 0.959 0.673 CB 1.449 50 residues pruned to eliminate duplicates Z: 11 16.701 2.093 0.255 0.847 1.000 0.700 CB 1.492 11 residues pruned to eliminate duplicates Z: 40 30.079 2.117 0.593 0.520 0.897 0.538 CA 1.560 40 residues pruned to eliminate duplicates Z: 25 25.644 2.007 0.593 0.814 0.958 0.750 CA 1.300 25 residues pruned to eliminate duplicates 7 0.470 1.264 0.360 0.148 0.667 0.167 CB 0.259 ? Z: 25 14.793 1.929 0.447 0.436 0.792 0.583 CA 1.460 25 residues pruned to eliminate duplicates Z: 12 4.737 1.477 0.709 0.222 0.727 0.273 CB 1.078 12 residues pruned to eliminate duplicates Z: 6 3.478 1.616 0.134 0.707 0.800 0.800 CB 0.879 6 residues pruned to eliminate duplicates Z: 21 9.005 1.799 0.133 0.398 0.850 0.450 CB 1.294 21 residues pruned to eliminate duplicates Z: 11 14.183 1.828 0.851 0.839 0.900 0.800 CB 1.100 10 residues pruned to eliminate duplicates Z: 64 33.922 2.103 0.432 0.515 0.921 0.619 CB 1.518 64 residues pruned to eliminate duplicates Z: 18 18.887 1.864 0.370 0.880 1.000 0.706 CB 1.299 18 residues pruned to eliminate duplicates Z: 15 16.585 1.830 0.490 0.810 1.000 0.429 CB 1.241 15 residues pruned to eliminate duplicates Z: 7 10.027 1.859 0.677 0.887 0.833 0.833 CA 1.136 7 residues pruned to eliminate duplicates Z: 63 36.139 2.121 0.537 0.508 0.919 0.597 CB 1.520 63 residues pruned to eliminate duplicates Z: 16 16.837 1.912 0.304 0.864 0.933 0.600 CB 1.369 16 residues pruned to eliminate duplicates Z: 19 10.261 1.866 0.429 0.492 0.833 0.556 CB 1.098 19 residues pruned to eliminate duplicates Z: 10 11.912 1.925 0.243 0.850 1.000 0.889 CB 1.229 10 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 15 21.921 2.149 0.517 0.819 0.929 0.714 CB 1.467 15 residues pruned to eliminate duplicates Z: 118 58.323 2.149 0.585 0.643 0.966 0.615 CB 1.434 118 residues pruned to eliminate duplicates Z: 23 22.564 2.132 0.550 0.641 0.909 0.500 CB 1.404 23 residues pruned to eliminate duplicates Z: 118 57.029 2.154 0.538 0.649 0.940 0.692 CB 1.473 118 residues pruned to eliminate duplicates Z: 52 40.978 2.201 0.620 0.706 0.922 0.667 CB 1.448 51 residues pruned to eliminate duplicates Z: 14 27.094 2.076 0.968 0.854 0.923 0.538 CA 1.471 14 residues pruned to eliminate duplicates Z: 99 49.758 2.167 0.567 0.616 0.918 0.510 CB 1.444 99 residues pruned to eliminate duplicates Z: 85 48.843 2.145 0.725 0.634 0.917 0.536 CB 1.385 86 residues pruned to eliminate duplicates Z: 13 24.282 2.095 0.905 0.886 0.917 0.667 CB 1.382 13 residues pruned to eliminate duplicates Z: 16 20.895 2.041 0.661 0.760 0.867 0.667 CB 1.457 16 residues pruned to eliminate duplicates Z: 53 41.881 2.147 0.664 0.694 0.962 0.615 CB 1.415 53 residues pruned to eliminate duplicates Z: 64 42.228 2.115 0.655 0.711 0.905 0.556 CB 1.387 64 residues pruned to eliminate duplicates Z: 43 34.109 2.139 0.573 0.742 0.905 0.619 CB 1.391 43 residues pruned to eliminate duplicates Z: 107 53.616 2.158 0.588 0.613 0.943 0.519 CB 1.448 107 residues pruned to eliminate duplicates Z: 117 52.706 2.122 0.569 0.624 0.897 0.603 CB 1.459 117 residues pruned to eliminate duplicates Z: 117 56.036 2.153 0.552 0.650 0.922 0.595 CB 1.468 117 residues pruned to eliminate duplicates Z: 37 34.257 2.219 0.558 0.683 0.972 0.639 CB 1.436 37 residues pruned to eliminate duplicates Z: 92 46.945 2.151 0.524 0.607 0.934 0.615 CB 1.451 92 residues pruned to eliminate duplicates Z: 106 51.299 2.098 0.615 0.624 0.905 0.610 CB 1.453 106 residues pruned to eliminate duplicates Z: 101 53.089 2.150 0.626 0.631 0.910 0.530 CB 1.475 101 residues pruned to eliminate duplicates Z: 51 43.632 2.222 0.707 0.692 0.940 0.520 CB 1.452 51 residues pruned to eliminate duplicates Z: 99 51.549 2.108 0.690 0.628 0.918 0.571 CB 1.411 99 residues pruned to eliminate duplicates Z: 51 40.924 2.180 0.625 0.687 0.940 0.660 CB 1.465 51 residues pruned to eliminate duplicates Z: 51 45.513 2.214 0.689 0.720 0.980 0.680 CB 1.441 51 residues pruned to eliminate duplicates Z: 51 42.090 2.226 0.691 0.695 0.940 0.680 CB 1.407 51 residues pruned to eliminate duplicates Z: 117 60.095 2.138 0.698 0.652 0.922 0.612 CB 1.447 117 residues pruned to eliminate duplicates Z: 42 38.720 2.164 0.758 0.757 0.902 0.561 CB 1.402 42 residues pruned to eliminate duplicates Z: 52 43.221 2.227 0.722 0.692 0.922 0.569 CB 1.436 52 residues pruned to eliminate duplicates Z: 61 46.258 2.195 0.701 0.739 0.900 0.633 CB 1.434 61 residues pruned to eliminate duplicates Z: 51 41.692 2.182 0.716 0.688 0.940 0.660 CB 1.410 51 residues pruned to eliminate duplicates Z: 70 39.855 2.118 0.644 0.678 0.870 0.536 CB 1.345 70 residues pruned to eliminate duplicates Z: 106 60.538 2.164 0.687 0.639 0.962 0.600 CB 1.477 106 residues pruned to eliminate duplicates Z: 101 52.588 2.148 0.638 0.634 0.910 0.550 CB 1.448 101 residues pruned to eliminate duplicates Z: 101 54.451 2.164 0.669 0.636 0.890 0.560 CB 1.492 101 residues pruned to eliminate duplicates Z: 68 43.892 2.174 0.621 0.685 0.910 0.567 CB 1.411 68 residues pruned to eliminate duplicates Z: 61 47.078 2.173 0.704 0.743 0.917 0.517 CB 1.440 61 residues pruned to eliminate duplicates Z: 61 49.852 2.178 0.740 0.725 0.950 0.467 CB 1.459 61 residues pruned to eliminate duplicates Z: 25 32.734 2.132 0.645 0.858 0.958 0.833 CA 1.463 25 residues pruned to eliminate duplicates Z: 101 54.569 2.159 0.665 0.649 0.930 0.580 CB 1.421 101 residues pruned to eliminate duplicates Z: 27 34.038 2.197 0.707 0.779 0.962 0.654 CB 1.448 27 residues pruned to eliminate duplicates Z: 61 44.301 2.194 0.629 0.729 0.883 0.683 CB 1.474 61 residues pruned to eliminate duplicates Z: 48 35.718 2.141 0.648 0.698 0.872 0.638 CB 1.413 48 residues pruned to eliminate duplicates Z: 51 40.297 2.193 0.685 0.687 0.920 0.580 CB 1.412 51 residues pruned to eliminate duplicates Z: 51 39.890 2.151 0.760 0.659 0.940 0.360 CB 1.368 51 residues pruned to eliminate duplicates Z: 6 13.217 2.184 1.004 0.395 1.000 0.600 CB 1.509 6 residues pruned to eliminate duplicates Z: 72 42.332 2.141 0.514 0.681 0.930 0.563 CB 1.411 72 residues pruned to eliminate duplicates Z: 84 34.442 2.030 0.475 0.522 0.892 0.446 CB 1.386 84 residues pruned to eliminate duplicates Z: 102 53.716 2.131 0.685 0.633 0.911 0.564 CB 1.442 101 residues pruned to eliminate duplicates Z: 14 12.989 1.928 0.602 0.656 0.846 0.538 CB 1.193 14 residues pruned to eliminate duplicates Z: 61 45.498 2.107 0.666 0.706 0.983 0.617 CB 1.410 61 residues pruned to eliminate duplicates Z: 78 45.745 2.159 0.609 0.647 0.948 0.662 CB 1.380 78 residues pruned to eliminate duplicates Z: 119 56.611 2.130 0.605 0.651 0.924 0.619 CB 1.434 120 residues pruned to eliminate duplicates Z: 9 17.610 2.088 0.506 0.847 1.000 0.750 CB 1.470 9 residues pruned to eliminate duplicates Z: 85 41.659 2.069 0.549 0.577 0.917 0.560 CB 1.437 85 residues pruned to eliminate duplicates Z: 68 45.233 2.158 0.640 0.705 0.940 0.612 CB 1.378 68 residues pruned to eliminate duplicates Z: 36 27.072 2.099 0.550 0.618 0.886 0.571 CB 1.421 36 residues pruned to eliminate duplicates Z: 118 55.305 2.123 0.626 0.654 0.906 0.641 CB 1.418 118 residues pruned to eliminate duplicates Z: 99 53.554 2.134 0.660 0.627 0.918 0.622 CB 1.476 99 residues pruned to eliminate duplicates Z: 71 48.777 2.150 0.706 0.698 0.929 0.657 CB 1.429 71 residues pruned to eliminate duplicates Z: 15 20.079 1.884 0.744 0.746 1.000 0.714 CB 1.311 15 residues pruned to eliminate duplicates Z: 120 57.794 2.099 0.712 0.645 0.933 0.622 CB 1.381 120 residues pruned to eliminate duplicates Z: 64 33.748 2.117 0.594 0.527 0.825 0.524 CB 1.487 64 residues pruned to eliminate duplicates Z: 117 57.566 2.137 0.614 0.649 0.914 0.586 CB 1.477 117 residues pruned to eliminate duplicates Z: 99 55.958 2.185 0.690 0.654 0.908 0.592 CB 1.461 99 residues pruned to eliminate duplicates Z: 116 59.682 2.129 0.653 0.646 0.965 0.626 CB 1.430 116 residues pruned to eliminate duplicates Z: 100 52.472 2.164 0.586 0.637 0.939 0.616 CB 1.438 100 residues pruned to eliminate duplicates Z: 55 28.818 2.058 0.542 0.526 0.852 0.519 CB 1.414 55 residues pruned to eliminate duplicates Z: 120 56.147 2.120 0.587 0.646 0.933 0.630 CB 1.431 120 residues pruned to eliminate duplicates Z: 75 46.019 2.113 0.665 0.600 0.932 0.554 CB 1.483 75 residues pruned to eliminate duplicates Z: 152 63.000 2.101 0.609 0.614 0.934 0.523 CB 1.458 152 residues pruned to eliminate duplicates Z: 39 30.801 2.120 0.674 0.521 0.921 0.421 CB 1.496 39 residues pruned to eliminate duplicates Z: 121 54.283 2.102 0.550 0.637 0.925 0.542 CB 1.446 121 residues pruned to eliminate duplicates Z: 14 31.921 2.270 0.839 0.749 1.000 0.462 CB 1.698 14 residues pruned to eliminate duplicates Z: 38 29.572 2.109 0.636 0.521 0.946 0.486 CB 1.459 38 residues pruned to eliminate duplicates Z: 38 26.360 2.148 0.579 0.497 0.838 0.486 CA 1.530 38 residues pruned to eliminate duplicates Z: 52 30.773 2.076 0.501 0.597 0.863 0.451 CB 1.462 52 residues pruned to eliminate duplicates Z: 49 36.748 2.087 0.625 0.617 0.917 0.583 CB 1.528 49 residues pruned to eliminate duplicates Z: 55 38.554 2.085 0.585 0.620 0.926 0.574 CB 1.530 55 residues pruned to eliminate duplicates Z: 70 38.087 2.051 0.615 0.608 0.884 0.536 CB 1.413 70 residues pruned to eliminate duplicates Z: 30 29.498 2.117 0.849 0.552 0.862 0.517 CA 1.544 30 residues pruned to eliminate duplicates Z: 26 27.440 2.170 0.584 0.587 0.960 0.640 CB 1.530 26 residues pruned to eliminate duplicates Z: 58 34.114 1.987 0.701 0.558 0.895 0.561 CB 1.412 58 residues pruned to eliminate duplicates Z: 52 37.076 2.072 0.644 0.588 0.941 0.569 CB 1.489 52 residues pruned to eliminate duplicates Z: 51 35.597 2.099 0.580 0.604 0.900 0.640 CB 1.528 51 residues pruned to eliminate duplicates Z: 48 37.720 2.050 0.740 0.603 0.915 0.489 CB 1.529 48 residues pruned to eliminate duplicates Z: 32 26.869 2.120 0.688 0.520 0.871 0.581 CB 1.517 32 residues pruned to eliminate duplicates Z: 98 55.014 2.180 0.693 0.658 0.907 0.660 CB 1.441 98 residues pruned to eliminate duplicates Z: 23 24.795 2.121 0.680 0.545 0.909 0.591 CB 1.562 23 residues pruned to eliminate duplicates Z: 56 35.819 2.104 0.567 0.599 0.891 0.473 CB 1.497 56 residues pruned to eliminate duplicates Z: 32 25.278 2.092 0.683 0.514 0.903 0.452 CB 1.408 32 residues pruned to eliminate duplicates Z: 113 55.400 2.161 0.641 0.643 0.911 0.670 CB 1.418 113 residues pruned to eliminate duplicates Z: 118 60.266 2.132 0.632 0.657 0.949 0.615 CB 1.459 118 residues pruned to eliminate duplicates Z: 106 52.600 2.095 0.624 0.642 0.933 0.600 CB 1.416 106 residues pruned to eliminate duplicates Z: 47 35.513 2.093 0.668 0.626 0.891 0.543 CB 1.494 47 residues pruned to eliminate duplicates Z: 27 16.255 1.879 0.468 0.596 0.846 0.577 CB 1.246 27 residues pruned to eliminate duplicates Z: 117 55.512 2.149 0.612 0.670 0.888 0.595 CB 1.432 117 residues pruned to eliminate duplicates Z: 35 24.638 1.999 0.485 0.559 0.882 0.529 CB 1.523 35 residues pruned to eliminate duplicates Z: 52 36.204 2.079 0.606 0.619 0.922 0.490 CB 1.472 52 residues pruned to eliminate duplicates Z: 18 16.004 2.011 0.286 0.745 0.824 0.647 CB 1.464 18 residues pruned to eliminate duplicates Z: 34 22.566 2.005 0.445 0.601 0.909 0.576 CB 1.355 34 residues pruned to eliminate duplicates Z: 51 37.925 2.088 0.614 0.612 0.940 0.640 CB 1.522 51 residues pruned to eliminate duplicates Z: 51 38.679 2.097 0.614 0.625 0.940 0.580 CB 1.528 51 residues pruned to eliminate duplicates Z: 20 13.622 2.046 0.130 0.554 0.895 0.526 CA 1.434 20 residues pruned to eliminate duplicates Z: 121 55.517 2.085 0.639 0.640 0.917 0.592 CB 1.419 121 residues pruned to eliminate duplicates Z: 22 16.158 1.810 0.347 0.644 0.952 0.524 CB 1.327 22 residues pruned to eliminate duplicates Z: 20 21.361 1.924 0.543 0.689 1.000 0.579 CB 1.388 20 residues pruned to eliminate duplicates Z: 52 33.872 2.048 0.566 0.584 0.941 0.529 CB 1.450 52 residues pruned to eliminate duplicates Z: 24 25.068 2.057 0.582 0.686 0.957 0.652 CB 1.415 24 residues pruned to eliminate duplicates Z: 119 57.016 2.119 0.592 0.644 0.924 0.619 CB 1.472 119 residues pruned to eliminate duplicates Z: 25 22.100 1.998 0.437 0.661 0.958 0.625 CA 1.412 25 residues pruned to eliminate duplicates Z: 20 17.591 2.054 0.531 0.550 0.895 0.579 CA 1.366 20 residues pruned to eliminate duplicates Z: 23 17.663 1.974 0.583 0.516 0.818 0.545 CB 1.450 23 residues pruned to eliminate duplicates Z: 179 62.559 2.119 0.562 0.570 0.916 0.596 CB 1.447 179 residues pruned to eliminate duplicates Z: 87 41.149 2.070 0.492 0.510 0.953 0.616 CB 1.492 87 residues pruned to eliminate duplicates Z: 50 25.966 2.089 0.432 0.444 0.878 0.551 CB 1.497 50 residues pruned to eliminate duplicates Z: 64 35.904 2.117 0.412 0.526 0.968 0.587 CB 1.524 64 residues pruned to eliminate duplicates Z: 64 35.824 2.113 0.483 0.498 0.937 0.635 CB 1.540 64 residues pruned to eliminate duplicates Z: 63 34.393 2.121 0.455 0.497 0.919 0.532 CB 1.544 63 residues pruned to eliminate duplicates Z: 43 34.555 2.178 0.620 0.534 0.905 0.524 CA 1.615 43 residues pruned to eliminate duplicates Z: 63 35.692 2.113 0.513 0.484 0.935 0.613 CB 1.540 63 residues pruned to eliminate duplicates Z: 30 29.236 2.197 0.625 0.526 0.897 0.586 CB 1.653 30 residues pruned to eliminate duplicates Z: 64 37.133 2.098 0.566 0.506 0.937 0.619 CB 1.512 64 residues pruned to eliminate duplicates Z: 6 5.632 1.589 0.864 0.327 1.000 0.600 CA 1.028 6 residues pruned to eliminate duplicates Z: 66 34.624 2.079 0.494 0.500 0.923 0.615 CB 1.498 66 residues pruned to eliminate duplicates Z: 45 25.067 2.110 0.391 0.510 0.818 0.523 CA 1.559 45 residues pruned to eliminate duplicates Z: 61 29.532 2.067 0.468 0.451 0.883 0.567 CB 1.495 61 residues pruned to eliminate duplicates Z: 64 33.685 2.118 0.499 0.489 0.905 0.556 CB 1.494 64 residues pruned to eliminate duplicates Z: 28 30.523 2.214 0.506 0.583 1.000 0.741 CA 1.627 28 residues pruned to eliminate duplicates Z: 44 26.382 2.052 0.594 0.485 0.860 0.512 CB 1.451 44 residues pruned to eliminate duplicates Z: 64 35.947 2.110 0.512 0.500 0.937 0.556 CB 1.516 64 residues pruned to eliminate duplicates Z: 86 39.001 2.068 0.486 0.482 0.929 0.541 CB 1.508 86 residues pruned to eliminate duplicates Z: 26 27.846 2.052 0.701 0.634 0.960 0.560 CB 1.466 26 residues pruned to eliminate duplicates Z: 35 29.427 2.105 0.745 0.488 0.912 0.471 CB 1.525 35 residues pruned to eliminate duplicates Z: 47 31.657 2.149 0.535 0.493 0.913 0.565 CB 1.562 47 residues pruned to eliminate duplicates Z: 64 36.679 2.119 0.533 0.501 0.937 0.619 CB 1.517 64 residues pruned to eliminate duplicates Z: 64 34.092 2.117 0.496 0.510 0.889 0.571 CB 1.512 64 residues pruned to eliminate duplicates Z: 43 35.329 2.175 0.645 0.543 0.905 0.524 CA 1.614 43 residues pruned to eliminate duplicates Z: 44 32.295 2.174 0.531 0.529 0.907 0.581 CA 1.587 44 residues pruned to eliminate duplicates Z: 62 34.411 2.126 0.504 0.487 0.918 0.623 CB 1.521 62 residues pruned to eliminate duplicates Z: 48 29.150 2.119 0.437 0.483 0.915 0.511 CB 1.553 48 residues pruned to eliminate duplicates Z: 64 34.748 2.111 0.502 0.499 0.905 0.603 CB 1.527 64 residues pruned to eliminate duplicates Z: 66 36.570 2.060 0.568 0.511 0.938 0.492 CB 1.481 66 residues pruned to eliminate duplicates Z: 38 22.993 2.119 0.527 0.416 0.838 0.568 CB 1.522 38 residues pruned to eliminate duplicates Z: 65 39.250 2.082 0.598 0.493 0.984 0.531 CB 1.507 65 residues pruned to eliminate duplicates Z: 64 35.997 2.059 0.562 0.517 0.937 0.556 CB 1.480 64 residues pruned to eliminate duplicates Z: 6 2.023 1.714 0.413 0.111 0.400 0.000 C 1.530 6 residues pruned to eliminate duplicates Z: 44 38.001 2.142 0.712 0.590 0.907 0.581 CA 1.598 44 residues pruned to eliminate duplicates Z: 34 21.185 2.018 0.393 0.479 0.970 0.545 CB 1.382 34 residues pruned to eliminate duplicates Z: 43 31.337 2.134 0.610 0.540 0.905 0.595 CB 1.496 43 residues pruned to eliminate duplicates Z: 65 39.294 2.089 0.623 0.552 0.922 0.625 CB 1.494 65 residues pruned to eliminate duplicates Z: 32 30.652 2.178 0.524 0.582 0.968 0.677 CA 1.584 32 residues pruned to eliminate duplicates Z: 12 13.734 2.084 0.498 0.587 0.818 0.636 CB 1.491 12 residues pruned to eliminate duplicates Z: 65 35.934 2.076 0.489 0.530 0.938 0.578 CB 1.505 65 residues pruned to eliminate duplicates Z: 62 36.839 2.088 0.559 0.535 0.951 0.656 CB 1.473 62 residues pruned to eliminate duplicates Z: 63 37.973 2.089 0.653 0.545 0.903 0.532 CB 1.480 63 residues pruned to eliminate duplicates Z: 63 38.459 2.110 0.575 0.547 0.952 0.629 CB 1.476 63 residues pruned to eliminate duplicates Z: 65 37.896 2.072 0.562 0.543 0.953 0.609 CB 1.472 65 residues pruned to eliminate duplicates Z: 39 19.383 1.982 0.560 0.400 0.789 0.526 CB 1.431 39 residues pruned to eliminate duplicates Z: 63 40.216 2.096 0.642 0.556 0.968 0.613 CB 1.452 63 residues pruned to eliminate duplicates Z: 41 26.748 2.039 0.525 0.526 0.925 0.625 CB 1.432 41 residues pruned to eliminate duplicates Z: 47 24.657 2.000 0.599 0.450 0.848 0.543 CB 1.412 48 residues pruned to eliminate duplicates Z: 6 7.390 2.006 0.398 0.339 1.000 0.600 CA 1.404 6 residues pruned to eliminate duplicates Z: 65 39.410 2.063 0.571 0.562 0.953 0.594 CB 1.501 65 residues pruned to eliminate duplicates Z: 63 41.865 2.125 0.662 0.573 0.935 0.661 CB 1.500 62 residues pruned to eliminate duplicates Z: 14 17.591 1.929 0.528 0.720 1.000 0.538 CB 1.357 14 residues pruned to eliminate duplicates Z: 18 18.929 2.002 0.624 0.591 0.882 0.588 CB 1.466 18 residues pruned to eliminate duplicates Z: 64 37.566 2.089 0.586 0.539 0.937 0.603 CB 1.469 64 residues pruned to eliminate duplicates Z: 66 35.988 2.067 0.542 0.528 0.908 0.600 CB 1.500 66 residues pruned to eliminate duplicates Z: 41 28.227 1.990 0.650 0.526 0.925 0.700 CB 1.432 41 residues pruned to eliminate duplicates Z: 10 16.348 1.955 0.459 0.901 1.000 0.778 CA 1.364 10 residues pruned to eliminate duplicates Z: 39 24.542 1.980 0.562 0.520 0.868 0.553 CB 1.453 39 residues pruned to eliminate duplicates Z: 37 24.437 2.034 0.573 0.498 0.889 0.611 CB 1.434 37 residues pruned to eliminate duplicates Z: 66 38.169 2.061 0.655 0.535 0.908 0.600 CB 1.476 66 residues pruned to eliminate duplicates Z: 20 21.011 2.049 0.605 0.543 1.000 0.632 CB 1.405 20 residues pruned to eliminate duplicates Z: 7 2.527 1.543 0.253 0.405 0.667 0.333 CA 0.885 7 residues pruned to eliminate duplicates Z: 33 21.737 2.001 0.406 0.626 0.812 0.594 CB 1.492 33 residues pruned to eliminate duplicates Z: 33 21.627 2.033 0.431 0.590 0.812 0.500 CA 1.483 33 residues pruned to eliminate duplicates Z: 26 23.499 2.108 0.422 0.634 0.880 0.600 CA 1.571 26 residues pruned to eliminate duplicates Z: 26 21.774 2.041 0.361 0.669 0.920 0.600 CA 1.458 26 residues pruned to eliminate duplicates Z: 28 21.096 2.015 0.389 0.609 0.889 0.593 CB 1.471 28 residues pruned to eliminate duplicates Z: 24 21.094 2.032 0.341 0.723 0.913 0.565 CA 1.445 24 residues pruned to eliminate duplicates Z: 26 20.376 1.920 0.259 0.660 0.960 0.520 CA 1.514 26 residues pruned to eliminate duplicates Z: 22 26.882 2.130 0.374 0.755 0.952 0.619 CA 1.677 22 residues pruned to eliminate duplicates Z: 20 20.263 1.889 0.404 0.760 0.947 0.579 CB 1.468 20 residues pruned to eliminate duplicates Z: 24 23.280 2.046 0.378 0.709 0.913 0.609 CA 1.559 24 residues pruned to eliminate duplicates Z: 25 24.703 2.103 0.525 0.655 0.875 0.625 CB 1.556 25 residues pruned to eliminate duplicates Z: 25 24.689 2.055 0.365 0.714 0.958 0.500 CA 1.544 25 residues pruned to eliminate duplicates Z: 27 25.842 2.066 0.566 0.632 0.885 0.538 CB 1.564 27 residues pruned to eliminate duplicates Z: 25 21.704 1.954 0.355 0.665 0.958 0.583 CB 1.498 25 residues pruned to eliminate duplicates Z: 26 21.435 1.996 0.323 0.673 0.920 0.560 CA 1.505 26 residues pruned to eliminate duplicates Z: 28 22.290 1.973 0.355 0.708 0.889 0.593 CA 1.495 28 residues pruned to eliminate duplicates Z: 32 29.407 2.099 0.663 0.619 0.871 0.581 CA 1.553 37 residues pruned to eliminate duplicates Z: 16 21.207 1.953 0.566 0.901 0.933 0.800 CB 1.369 16 residues pruned to eliminate duplicates Z: 23 23.824 2.086 0.411 0.742 0.909 0.727 CA 1.528 23 residues pruned to eliminate duplicates Z: 23 20.719 2.091 0.320 0.704 0.864 0.636 CA 1.539 23 residues pruned to eliminate duplicates Z: 18 21.564 1.994 0.491 0.779 0.941 0.706 CB 1.462 18 residues pruned to eliminate duplicates Z: 25 26.590 2.026 0.521 0.716 0.958 0.542 CB 1.512 25 residues pruned to eliminate duplicates Z: 23 25.746 2.091 0.557 0.718 0.864 0.682 CA 1.603 22 residues pruned to eliminate duplicates 210 residues left after pruning, divided into chains as follows: A: 179 B: 31 CC for partial structure against native data = 41.79 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 4 used as input for final density modification = 0.300, Contrast = 0.375, Connect. = 0.692 for dens.mod. cycle 1 = 0.300, Contrast = 0.421, Connect. = 0.714 for dens.mod. cycle 2 = 0.301, Contrast = 0.511, Connect. = 0.752 for dens.mod. cycle 3 = 0.301, Contrast = 0.512, Connect. = 0.751 for dens.mod. cycle 4 TimeTaking 108.48