++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 16:15:41 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: ./2obp-1.7-parrot-hancs/2obp-1.7-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2obp-1.7-parrot-hancs/2obp-1.7-parrot-hancs.ins Phases from ./2obp-1.7-parrot-hancs/2obp-1.7-parrot-hancs.phi Native data from ./2obp-1.7-parrot-hancs/2obp-1.7-parrot-hancs.hkl Listing output to ./2obp-1.7-parrot-hancs/2obp-1.7-parrot-hancs.lst Phases output to ./2obp-1.7-parrot-hancs/2obp-1.7-parrot-hancs.phs Poly-Ala trace output to ./2obp-1.7-parrot-hancs/2obp-1.7-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 63 2 2 Allowed origin shift code: 10 26981 Reflections read from file ./2obp-1.7-parrot-hancs/2obp-1.7-parrot-hancs.phi 26981 Reflections read from file ./2obp-1.7-parrot-hancs/2obp-1.7-parrot-hancs.hkl 26981 Unique data, highest resolution = 1.702 Angstroms Anisotropic scaling: intensities multiplied by 0.000241h^2 +0.000241k^2 -0.000083l^2 +0.000000kl +0.000000hl +0.000241hk 48 Reflections with d > 1.902 and 0 in range 1.902 > d > 1.702 added Density sharpening factor set to 1.20 Fourier grid = 256 x 256 x 61 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|> = 0.560 ** -f missing ?? ** = 0.300, Contrast = 0.413, Connect. = 0.759 for dens.mod. cycle 1 = 0.300, Contrast = 0.574, Connect. = 0.796 for dens.mod. cycle 2 = 0.300, Contrast = 0.792, Connect. = 0.834 for dens.mod. cycle 3 = 0.300, Contrast = 0.838, Connect. = 0.843 for dens.mod. cycle 4 = 0.300, Contrast = 0.859, Connect. = 0.847 for dens.mod. cycle 5 = 0.300, Contrast = 0.869, Connect. = 0.850 for dens.mod. cycle 6 = 0.300, Contrast = 0.877, Connect. = 0.851 for dens.mod. cycle 7 = 0.300, Contrast = 0.881, Connect. = 0.853 for dens.mod. cycle 8 = 0.300, Contrast = 0.884, Connect. = 0.853 for dens.mod. cycle 9 = 0.300, Contrast = 0.887, Connect. = 0.854 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1064 peaks > 0.5 sigma used to seed fragment search Space for about 256 unique residues taking solvent into account 215 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 51.002 2.321 1.182 0.864 1.000 0.750 CA 1.846 B: 17 52.689 2.317 1.116 0.922 1.000 0.938 CA 1.890 17 residues pruned to eliminate duplicates C: 16 70.955 2.495 1.622 0.910 1.000 0.867 CB 1.987 D: 16 56.062 2.502 1.035 0.922 1.000 0.867 CB 1.998 16 residues pruned to eliminate duplicates E: 17 56.855 2.297 1.432 0.901 1.000 0.750 CA 1.816 17 residues pruned to eliminate duplicates F: 17 52.544 2.283 1.267 0.932 1.000 0.875 CB 1.773 17 residues pruned to eliminate duplicates G: 17 59.786 2.312 1.537 0.911 1.000 0.688 CB 1.806 17 residues pruned to eliminate duplicates H: 17 57.154 2.360 1.266 0.915 1.000 0.875 CA 1.889 17 residues pruned to eliminate duplicates I: 15 63.502 2.475 1.415 0.910 1.000 0.929 CB 2.014 15 residues pruned to eliminate duplicates J: 16 61.915 2.471 1.354 0.897 1.000 0.800 CB 1.968 16 residues pruned to eliminate duplicates K: 19 35.084 2.292 1.248 0.684 0.833 0.722 CB 1.626 L: 17 59.013 2.323 1.449 0.928 1.000 0.938 CB 1.816 17 residues pruned to eliminate duplicates M: 17 42.523 2.412 1.006 0.871 1.000 0.625 CB 1.603 N: 16 31.891 2.258 0.788 0.889 0.933 0.867 CB 1.573 O: 13 22.449 2.228 0.765 0.834 0.917 0.833 CB 1.348 P: 17 59.390 2.340 1.511 0.888 1.000 0.688 CB 1.820 17 residues pruned to eliminate duplicates Q: 16 62.926 2.426 1.481 0.910 1.000 0.600 CB 1.914 16 residues pruned to eliminate duplicates R: 11 28.341 2.309 0.960 0.897 1.000 0.900 CB 1.417 11 residues pruned to eliminate duplicates S: 17 42.633 2.418 0.915 0.878 1.000 0.750 CB 1.670 17 residues pruned to eliminate duplicates T: 15 68.577 2.447 1.743 0.906 1.000 0.714 CB 1.942 15 residues pruned to eliminate duplicates U: 15 38.277 2.266 1.089 0.927 1.000 0.929 CB 1.515 16 residues pruned to eliminate duplicates V: 16 60.777 2.501 1.340 0.903 1.000 0.867 CA 1.911 17 residues pruned to eliminate duplicates W: 15 26.439 2.226 0.405 0.934 1.000 0.929 CB 1.575 15 residues pruned to eliminate duplicates X: 17 55.266 2.347 1.339 0.903 0.938 0.938 CB 1.913 17 residues pruned to eliminate duplicates Y: 16 51.157 2.376 1.078 0.905 1.000 0.867 CA 1.904 16 residues pruned to eliminate duplicates Z: 11 31.346 2.159 0.993 0.908 1.000 0.900 CA 1.635 Z: 40 70.284 2.494 1.116 0.703 0.949 0.769 CB 1.868 16 residues pruned to eliminate duplicates Z: 61 84.068 2.410 1.233 0.710 0.967 0.750 CB 1.724 57 residues pruned to eliminate duplicates Z: 11 29.281 2.246 1.010 0.863 1.000 0.900 CB 1.505 11 residues pruned to eliminate duplicates Z: 19 34.653 2.369 1.029 0.700 0.889 0.722 CB 1.593 13 residues pruned to eliminate duplicates Z: 18 41.048 2.292 0.980 0.856 1.000 0.824 CB 1.618 18 residues pruned to eliminate duplicates Z: 12 22.285 2.120 0.889 0.867 1.000 0.727 CB 1.228 12 residues pruned to eliminate duplicates Z: 41 74.314 2.445 1.267 0.714 1.000 0.750 CB 1.747 42 residues pruned to eliminate duplicates Z: 17 52.560 2.289 1.418 0.916 0.938 0.562 CB 1.788 17 residues pruned to eliminate duplicates Z: 61 68.020 2.346 1.026 0.711 0.950 0.767 CB 1.606 43 residues pruned to eliminate duplicates Z: 11 30.173 2.122 1.087 0.862 1.000 0.800 CB 1.581 11 residues pruned to eliminate duplicates Z: 17 37.711 2.463 0.858 0.840 0.938 0.812 CB 1.641 17 residues pruned to eliminate duplicates Z: 16 70.860 2.470 1.612 0.918 1.000 0.933 CB 1.999 16 residues pruned to eliminate duplicates Z: 12 18.508 1.998 0.654 0.829 1.000 0.818 CB 1.270 12 residues pruned to eliminate duplicates Z: 16 57.146 2.477 1.163 0.919 1.000 0.867 CA 1.942 16 residues pruned to eliminate duplicates Z: 12 20.961 2.124 0.979 0.795 0.909 0.727 CB 1.278 12 residues pruned to eliminate duplicates Z: 17 36.189 2.452 0.846 0.836 0.938 0.812 CB 1.596 17 residues pruned to eliminate duplicates Z: 17 55.257 2.307 1.356 0.898 1.000 0.812 CB 1.819 17 residues pruned to eliminate duplicates Z: 11 26.060 2.254 0.755 0.862 1.000 0.800 CB 1.530 11 residues pruned to eliminate duplicates Z: 16 61.126 2.495 1.295 0.910 1.000 0.867 CA 1.955 16 residues pruned to eliminate duplicates Z: 13 33.935 2.294 1.008 0.894 1.000 0.833 CB 1.526 14 residues pruned to eliminate duplicates Z: 12 25.768 2.018 0.878 0.862 1.000 0.818 CB 1.504 12 residues pruned to eliminate duplicates Z: 7 4.186 1.844 0.728 0.360 0.667 0.500 CB 0.935 6 residues pruned to eliminate duplicates Z: 13 25.421 2.273 0.671 0.885 0.917 0.750 CB 1.522 13 residues pruned to eliminate duplicates Z: 80 80.865 2.337 1.078 0.708 0.949 0.797 CB 1.634 79 residues pruned to eliminate duplicates Z: 61 81.155 2.407 1.214 0.702 0.933 0.767 CB 1.752 61 residues pruned to eliminate duplicates Z: 15 43.934 2.237 1.271 0.857 1.000 0.643 CA 1.704 15 residues pruned to eliminate duplicates Z: 13 26.758 2.108 1.014 0.812 0.917 0.750 CA 1.513 13 residues pruned to eliminate duplicates Z: 15 31.225 2.261 0.620 0.945 1.000 0.929 CB 1.576 15 residues pruned to eliminate duplicates Z: 15 32.465 2.277 0.680 0.930 1.000 0.929 CB 1.586 15 residues pruned to eliminate duplicates Z: 61 83.763 2.397 1.203 0.716 0.983 0.767 CB 1.712 61 residues pruned to eliminate duplicates Z: 16 45.623 2.421 1.114 0.884 0.933 0.600 CB 1.782 16 residues pruned to eliminate duplicates Z: 62 69.222 2.324 1.033 0.703 0.951 0.705 CB 1.641 62 residues pruned to eliminate duplicates Z: 16 53.166 2.398 1.112 0.910 1.000 0.867 CA 1.923 16 residues pruned to eliminate duplicates Z: 16 45.225 2.385 0.879 0.905 1.000 0.800 CA 1.854 16 residues pruned to eliminate duplicates Z: 80 79.715 2.345 1.072 0.707 0.937 0.772 CB 1.632 80 residues pruned to eliminate duplicates Z: 11 28.474 2.187 1.000 0.867 0.900 0.700 CB 1.673 11 residues pruned to eliminate duplicates Z: 12 23.418 2.006 1.082 0.845 0.909 0.818 CB 1.383 12 residues pruned to eliminate duplicates Z: 17 33.479 2.300 0.664 0.901 1.000 0.750 CB 1.562 17 residues pruned to eliminate duplicates Z: 13 20.518 2.032 0.781 0.833 1.000 0.833 CB 1.229 13 residues pruned to eliminate duplicates Z: 11 28.272 2.145 1.029 0.917 1.000 0.600 CB 1.450 11 residues pruned to eliminate duplicates Z: 17 46.905 2.323 1.098 0.859 1.000 0.875 CA 1.770 17 residues pruned to eliminate duplicates Z: 79 74.195 2.359 0.985 0.708 0.923 0.821 CB 1.608 79 residues pruned to eliminate duplicates Z: 60 79.854 2.447 1.067 0.722 0.966 0.780 CB 1.742 60 residues pruned to eliminate duplicates Z: 61 78.220 2.425 1.106 0.697 0.967 0.800 CB 1.709 61 residues pruned to eliminate duplicates Z: 12 24.404 2.009 0.903 0.847 1.000 0.909 CB 1.429 12 residues pruned to eliminate duplicates Z: 60 80.172 2.405 1.137 0.721 0.966 0.729 CB 1.722 60 residues pruned to eliminate duplicates Z: 81 79.924 2.326 1.054 0.705 0.963 0.637 CB 1.613 81 residues pruned to eliminate duplicates Z: 17 25.509 2.157 0.646 0.839 0.938 0.812 CB 1.430 17 residues pruned to eliminate duplicates Z: 17 43.961 2.414 0.979 0.893 1.000 0.938 CB 1.651 17 residues pruned to eliminate duplicates Z: 15 32.832 2.283 0.776 0.941 1.000 1.000 CB 1.502 15 residues pruned to eliminate duplicates Z: 10 28.961 2.229 0.746 0.865 1.000 0.889 CA 1.818 10 residues pruned to eliminate duplicates Z: 80 81.894 2.343 1.106 0.703 0.949 0.785 CB 1.635 80 residues pruned to eliminate duplicates Z: 11 23.276 2.273 0.634 0.875 1.000 0.900 CB 1.442 11 residues pruned to eliminate duplicates Z: 14 36.700 2.260 1.121 0.916 1.000 0.846 CB 1.500 14 residues pruned to eliminate duplicates Z: 14 37.631 2.276 1.167 0.926 1.000 0.846 CB 1.484 14 residues pruned to eliminate duplicates Z: 62 81.759 2.408 1.156 0.698 1.000 0.803 CB 1.683 62 residues pruned to eliminate duplicates Z: 13 30.778 2.215 0.881 0.897 1.000 0.833 CB 1.526 13 residues pruned to eliminate duplicates Z: 14 27.802 2.215 0.879 0.812 0.923 0.769 CB 1.529 14 residues pruned to eliminate duplicates Z: 16 59.847 2.495 1.218 0.914 1.000 0.933 CA 1.975 16 residues pruned to eliminate duplicates Z: 15 10.697 1.951 0.305 0.494 0.857 0.571 CB 1.318 15 residues pruned to eliminate duplicates Z: 79 79.277 2.344 1.222 0.675 0.910 0.679 CB 1.611 79 residues pruned to eliminate duplicates Z: 13 24.434 2.207 1.124 0.863 0.917 0.750 CB 1.205 13 residues pruned to eliminate duplicates Z: 11 30.087 2.221 0.963 0.929 1.000 0.900 CB 1.527 11 residues pruned to eliminate duplicates Z: 13 21.970 2.201 0.479 0.892 0.917 0.833 CB 1.527 13 residues pruned to eliminate duplicates Z: 16 33.641 2.206 0.823 0.894 1.000 0.867 CB 1.549 16 residues pruned to eliminate duplicates Z: 10 25.951 2.189 0.866 0.722 1.000 0.667 CB 1.734 10 residues pruned to eliminate duplicates Z: 13 28.282 2.198 0.839 0.904 0.917 0.750 CB 1.569 13 residues pruned to eliminate duplicates Z: 16 52.487 2.465 1.037 0.903 1.000 0.933 CB 1.924 16 residues pruned to eliminate duplicates Z: 14 22.004 2.089 1.078 0.877 0.846 0.692 CB 1.206 14 residues pruned to eliminate duplicates Z: 11 28.394 2.200 1.154 0.844 1.000 0.800 CB 1.410 11 residues pruned to eliminate duplicates Z: 13 21.805 2.234 0.883 0.883 0.917 0.833 CB 1.180 13 residues pruned to eliminate duplicates Z: 61 78.981 2.403 1.074 0.718 0.967 0.783 CB 1.738 61 residues pruned to eliminate duplicates Z: 15 36.988 2.278 0.984 0.943 1.000 0.929 CB 1.515 15 residues pruned to eliminate duplicates Z: 41 72.712 2.455 1.223 0.714 0.975 0.725 CB 1.780 41 residues pruned to eliminate duplicates Z: 61 76.807 2.384 1.104 0.714 0.950 0.683 CB 1.713 61 residues pruned to eliminate duplicates Z: 16 66.582 2.396 1.590 0.913 1.000 0.933 CB 1.960 16 residues pruned to eliminate duplicates Z: 20 33.476 2.215 1.103 0.685 0.947 0.684 CB 1.468 19 residues pruned to eliminate duplicates Z: 15 51.077 2.493 1.068 0.919 1.000 0.929 CB 1.865 15 residues pruned to eliminate duplicates Z: 13 29.528 2.014 1.243 0.855 1.000 0.750 CB 1.393 13 residues pruned to eliminate duplicates Z: 41 69.391 2.416 1.265 0.674 0.975 0.725 CB 1.751 41 residues pruned to eliminate duplicates Z: 17 35.143 2.308 1.078 0.714 0.875 0.750 CB 1.724 17 residues pruned to eliminate duplicates Z: 16 36.796 2.217 0.984 0.901 1.000 0.867 CB 1.542 16 residues pruned to eliminate duplicates Z: 22 25.768 2.147 0.729 0.636 0.810 0.619 CB 1.647 22 residues pruned to eliminate duplicates Z: 61 64.947 2.350 1.068 0.638 0.917 0.583 CB 1.653 61 residues pruned to eliminate duplicates Z: 19 31.895 2.185 1.208 0.630 0.944 0.667 CB 1.460 19 residues pruned to eliminate duplicates Z: 11 12.741 1.860 0.783 0.634 0.900 0.500 CB 1.190 11 residues pruned to eliminate duplicates Z: 50 69.722 2.370 1.126 0.734 0.959 0.694 CB 1.670 50 residues pruned to eliminate duplicates Z: 17 43.769 2.430 0.957 0.889 1.000 0.750 CB 1.657 17 residues pruned to eliminate duplicates Z: 15 56.597 2.544 1.092 0.947 1.000 0.929 CB 1.964 15 residues pruned to eliminate duplicates Z: 16 27.602 2.137 0.740 0.880 1.000 0.667 CB 1.388 16 residues pruned to eliminate duplicates Z: 17 34.989 2.372 0.638 0.900 1.000 0.875 CB 1.608 17 residues pruned to eliminate duplicates Z: 17 40.792 2.435 0.831 0.874 1.000 0.750 CB 1.665 17 residues pruned to eliminate duplicates Z: 13 29.139 2.251 0.941 0.916 0.917 0.833 CB 1.484 13 residues pruned to eliminate duplicates Z: 17 44.866 2.256 1.043 0.892 1.000 0.688 CB 1.747 17 residues pruned to eliminate duplicates Z: 61 75.569 2.418 1.074 0.708 0.950 0.800 CB 1.695 61 residues pruned to eliminate duplicates Z: 60 72.333 2.341 1.122 0.715 0.949 0.695 CB 1.644 60 residues pruned to eliminate duplicates Z: 83 79.304 2.357 1.065 0.670 0.951 0.744 CB 1.617 81 residues pruned to eliminate duplicates Z: 15 44.250 2.470 1.306 0.879 1.000 0.786 CB 1.507 15 residues pruned to eliminate duplicates Z: 81 82.995 2.325 1.158 0.700 0.950 0.738 CB 1.623 80 residues pruned to eliminate duplicates Z: 81 71.075 2.302 1.005 0.676 0.913 0.625 CB 1.605 81 residues pruned to eliminate duplicates Z: 18 43.188 2.409 1.131 0.850 0.941 0.882 CB 1.606 18 residues pruned to eliminate duplicates Z: 39 47.814 2.176 0.976 0.715 0.947 0.816 CB 1.566 39 residues pruned to eliminate duplicates Z: 43 66.501 2.361 1.335 0.697 0.952 0.595 CB 1.633 43 residues pruned to eliminate duplicates Z: 62 69.445 2.328 1.017 0.710 0.951 0.787 CB 1.646 62 residues pruned to eliminate duplicates Z: 16 34.118 2.383 1.063 0.872 0.867 0.667 CB 1.507 16 residues pruned to eliminate duplicates Z: 41 70.756 2.361 1.310 0.706 0.950 0.675 CB 1.790 41 residues pruned to eliminate duplicates Z: 15 19.909 2.017 0.915 0.799 0.857 0.786 CB 1.237 15 residues pruned to eliminate duplicates Z: 20 25.288 2.082 1.032 0.689 0.842 0.474 CB 1.370 21 residues pruned to eliminate duplicates Z: 59 62.046 2.305 0.983 0.665 0.931 0.724 CB 1.643 59 residues pruned to eliminate duplicates Z: 13 32.607 2.218 0.984 0.899 0.917 0.917 CA 1.667 13 residues pruned to eliminate duplicates Z: 14 33.460 2.292 1.071 0.632 0.923 0.846 CB 1.871 14 residues pruned to eliminate duplicates Z: 60 81.101 2.416 1.154 0.715 0.983 0.797 CB 1.698 60 residues pruned to eliminate duplicates Z: 11 23.379 2.112 1.070 0.893 1.000 0.300 CB 1.214 11 residues pruned to eliminate duplicates Z: 6 9.390 1.768 1.200 0.825 1.000 0.600 CB 0.815 Z: 12 9.593 1.906 0.807 0.298 0.636 0.545 N 1.655 12 residues pruned to eliminate duplicates Z: 7 17.036 2.255 1.312 0.644 0.833 0.833 CB 1.399 7 residues pruned to eliminate duplicates Z: 62 80.109 2.403 1.132 0.708 0.967 0.787 CB 1.714 62 residues pruned to eliminate duplicates Z: 59 81.403 2.420 1.218 0.709 0.948 0.741 CB 1.736 59 residues pruned to eliminate duplicates Z: 20 34.192 2.133 0.964 0.654 1.000 0.684 CB 1.623 20 residues pruned to eliminate duplicates Z: 16 66.437 2.449 1.548 0.943 1.000 0.667 CB 1.905 16 residues pruned to eliminate duplicates Z: 13 32.527 2.180 0.898 0.891 1.000 0.750 CB 1.631 14 residues pruned to eliminate duplicates Z: 11 18.371 2.313 0.936 0.528 0.800 0.800 CB 1.578 11 residues pruned to eliminate duplicates Z: 43 52.432 2.357 1.069 0.648 0.952 0.667 CB 1.518 43 residues pruned to eliminate duplicates Z: 17 34.452 2.170 0.941 0.914 1.000 0.938 CB 1.446 17 residues pruned to eliminate duplicates Z: 81 88.493 2.399 1.154 0.702 0.975 0.725 CB 1.635 81 residues pruned to eliminate duplicates Z: 12 27.665 2.295 0.533 0.874 1.000 0.818 CA 1.726 12 residues pruned to eliminate duplicates Z: 66 79.992 2.369 1.172 0.739 0.954 0.769 CB 1.632 66 residues pruned to eliminate duplicates Z: 47 67.715 2.398 1.117 0.719 0.935 0.783 CB 1.727 47 residues pruned to eliminate duplicates Z: 12 30.116 2.219 1.061 0.851 1.000 0.727 CB 1.470 12 residues pruned to eliminate duplicates Z: 30 31.495 2.156 0.793 0.604 0.897 0.655 CB 1.528 30 residues pruned to eliminate duplicates Z: 18 35.708 2.321 1.100 0.663 0.882 0.824 CB 1.733 18 residues pruned to eliminate duplicates Z: 39 46.520 2.278 1.032 0.595 0.921 0.658 CB 1.616 39 residues pruned to eliminate duplicates Z: 10 20.895 2.143 0.975 0.569 0.889 0.778 CA 1.731 10 residues pruned to eliminate duplicates Z: 16 39.004 2.166 1.032 0.945 1.000 0.800 CB 1.583 16 residues pruned to eliminate duplicates Z: 14 27.087 2.185 0.834 0.913 1.000 0.923 CB 1.326 14 residues pruned to eliminate duplicates Z: 16 48.781 2.359 1.280 0.907 1.000 0.733 CB 1.664 16 residues pruned to eliminate duplicates Z: 8 3.925 1.675 0.053 0.577 1.000 0.429 CB 0.781 Z: 6 6.346 1.559 0.626 0.620 1.000 0.600 CB 0.999 6 residues pruned to eliminate duplicates Z: 9 8.236 1.938 0.807 0.618 0.875 0.875 CB 0.850 9 residues pruned to eliminate duplicates Z: 17 21.176 2.179 0.542 0.625 0.875 0.625 CB 1.600 17 residues pruned to eliminate duplicates 161 residues left after pruning, divided into chains as follows: A: 80 B: 81 CC for partial structure against native data = 46.13 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.637, Connect. = 0.806 for dens.mod. cycle 1 = 0.300, Contrast = 0.716, Connect. = 0.826 for dens.mod. cycle 2 = 0.300, Contrast = 0.873, Connect. = 0.850 for dens.mod. cycle 3 = 0.300, Contrast = 0.882, Connect. = 0.851 for dens.mod. cycle 4 = 0.300, Contrast = 0.896, Connect. = 0.852 for dens.mod. cycle 5 = 0.300, Contrast = 0.897, Connect. = 0.854 for dens.mod. cycle 6 = 0.300, Contrast = 0.902, Connect. = 0.854 for dens.mod. cycle 7 = 0.300, Contrast = 0.901, Connect. = 0.855 for dens.mod. cycle 8 = 0.300, Contrast = 0.902, Connect. = 0.855 for dens.mod. cycle 9 = 0.300, Contrast = 0.901, Connect. = 0.856 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1076 peaks > 0.5 sigma used to seed fragment search Space for about 256 unique residues taking solvent into account 221 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 61.331 2.446 1.272 0.897 1.000 0.875 CB 1.974 B: 16 65.452 2.550 1.189 0.912 1.000 0.867 CA 2.144 17 residues pruned to eliminate duplicates C: 16 59.851 2.575 1.132 0.912 1.000 0.933 CA 1.993 D: 17 54.701 2.447 1.206 0.890 0.938 0.938 CB 1.943 16 residues pruned to eliminate duplicates E: 18 46.024 2.244 1.097 0.927 0.941 0.882 CA 1.766 18 residues pruned to eliminate duplicates F: 17 44.342 2.495 0.690 0.881 1.000 0.688 CA 1.904 G: 16 51.189 2.586 0.937 0.894 1.000 0.867 CB 1.893 17 residues pruned to eliminate duplicates H: 17 54.574 2.421 1.089 0.877 1.000 0.875 CA 1.960 17 residues pruned to eliminate duplicates I: 16 70.636 2.523 1.392 0.926 1.000 0.667 CB 2.119 17 residues pruned to eliminate duplicates J: 17 52.975 2.389 1.064 0.873 1.000 0.750 CA 1.957 16 residues pruned to eliminate duplicates K: 44 70.081 2.419 1.196 0.628 0.930 0.721 CB 1.918 18 residues pruned to eliminate duplicates L: 16 73.191 2.621 1.362 0.926 1.000 0.933 CB 2.140 16 residues pruned to eliminate duplicates M: 12 22.444 2.312 0.620 0.902 0.909 0.818 CB 1.418 N: 18 28.995 2.187 0.620 0.872 0.941 0.765 CB 1.537 O: 16 65.828 2.558 1.259 0.913 1.000 0.733 CA 2.081 17 residues pruned to eliminate duplicates P: 17 35.162 2.217 0.758 0.915 1.000 0.938 CB 1.594 18 residues pruned to eliminate duplicates Q: 19 43.357 2.368 1.040 0.746 1.000 0.722 CB 1.698 19 residues pruned to eliminate duplicates R: 13 27.823 2.373 0.853 0.851 0.917 0.667 CB 1.475 13 residues pruned to eliminate duplicates S: 17 60.844 2.448 1.195 0.931 1.000 0.875 CB 1.979 17 residues pruned to eliminate duplicates T: 18 33.159 2.483 0.515 0.843 0.882 0.882 CB 1.803 17 residues pruned to eliminate duplicates U: 17 30.047 2.289 0.720 0.853 0.875 0.750 CB 1.612 17 residues pruned to eliminate duplicates V: 15 23.663 2.073 0.739 0.845 1.000 0.714 CB 1.304 15 residues pruned to eliminate duplicates W: 10 33.351 2.320 0.847 0.870 1.000 0.889 CA 1.894 X: 16 50.117 2.536 0.932 0.904 0.933 0.867 CA 2.015 16 residues pruned to eliminate duplicates Y: 16 55.823 2.621 0.951 0.913 0.933 0.867 CB 2.137 16 residues pruned to eliminate duplicates Z: 18 41.999 2.394 0.869 0.861 0.941 0.824 CB 1.777 18 residues pruned to eliminate duplicates Z: 11 30.409 2.269 0.836 0.879 1.000 0.800 CB 1.673 Z: 17 26.891 2.265 0.512 0.852 0.938 0.812 CB 1.548 17 residues pruned to eliminate duplicates Z: 16 52.447 2.538 0.912 0.892 1.000 0.800 CA 2.004 16 residues pruned to eliminate duplicates Z: 13 27.885 2.340 0.734 0.885 0.917 0.833 CB 1.563 13 residues pruned to eliminate duplicates Z: 11 26.259 2.203 0.752 0.868 1.000 0.800 CA 1.572 12 residues pruned to eliminate duplicates Z: 12 22.887 2.131 0.723 0.856 1.000 0.727 CB 1.386 12 residues pruned to eliminate duplicates Z: 10 33.837 2.366 1.130 0.883 1.000 1.000 CB 1.618 9 residues pruned to eliminate duplicates Z: 41 76.716 2.534 1.024 0.709 0.975 0.800 CB 2.006 37 residues pruned to eliminate duplicates Z: 17 49.753 2.442 0.897 0.876 1.000 0.938 CA 1.951 17 residues pruned to eliminate duplicates Z: 60 88.137 2.500 1.048 0.701 0.983 0.712 CB 1.898 57 residues pruned to eliminate duplicates Z: 42 72.016 2.489 1.073 0.708 0.951 0.756 CB 1.898 42 residues pruned to eliminate duplicates Z: 9 22.441 2.301 0.323 0.904 1.000 0.875 CB 1.857 9 residues pruned to eliminate duplicates Z: 11 35.397 2.268 1.174 0.864 1.000 0.800 CB 1.664 11 residues pruned to eliminate duplicates Z: 41 81.611 2.513 1.254 0.734 0.950 0.700 CB 1.944 41 residues pruned to eliminate duplicates Z: 17 48.317 2.411 0.952 0.887 1.000 0.875 CA 1.850 17 residues pruned to eliminate duplicates Z: 12 24.730 2.031 0.814 0.821 1.000 0.909 CB 1.533 11 residues pruned to eliminate duplicates Z: 62 73.369 2.452 0.965 0.668 0.934 0.672 CB 1.786 39 residues pruned to eliminate duplicates Z: 80 84.076 2.414 0.936 0.696 0.962 0.734 CB 1.759 80 residues pruned to eliminate duplicates Z: 16 29.272 2.330 0.647 0.872 0.933 0.933 CB 1.538 16 residues pruned to eliminate duplicates Z: 16 28.169 2.320 0.335 0.891 1.000 1.000 CB 1.688 16 residues pruned to eliminate duplicates Z: 11 31.135 2.212 0.849 0.914 1.000 1.000 CB 1.703 11 residues pruned to eliminate duplicates Z: 17 49.116 2.343 1.006 0.904 1.000 0.875 CA 1.861 17 residues pruned to eliminate duplicates Z: 16 24.795 2.285 0.178 0.931 1.000 1.000 CB 1.663 16 residues pruned to eliminate duplicates Z: 43 76.763 2.438 1.241 0.696 0.976 0.667 CB 1.858 43 residues pruned to eliminate duplicates Z: 61 81.432 2.453 1.025 0.679 0.950 0.717 CB 1.889 61 residues pruned to eliminate duplicates Z: 10 37.356 2.406 1.200 0.913 1.000 1.000 CB 1.665 11 residues pruned to eliminate duplicates Z: 42 79.792 2.492 1.219 0.695 1.000 0.732 CB 1.886 42 residues pruned to eliminate duplicates Z: 13 26.787 2.321 0.755 0.834 0.917 0.583 CB 1.553 13 residues pruned to eliminate duplicates Z: 62 79.653 2.466 0.903 0.699 0.967 0.721 CB 1.875 61 residues pruned to eliminate duplicates Z: 20 29.772 2.327 1.067 0.650 0.895 0.632 CB 1.381 20 residues pruned to eliminate duplicates Z: 13 26.502 2.017 0.783 0.874 1.000 0.833 CB 1.548 13 residues pruned to eliminate duplicates Z: 17 41.146 2.394 0.743 0.869 0.938 0.812 CA 1.921 17 residues pruned to eliminate duplicates Z: 61 73.613 2.443 0.948 0.685 0.967 0.733 CB 1.743 61 residues pruned to eliminate duplicates Z: 19 30.916 2.317 0.894 0.690 0.889 0.833 CB 1.569 20 residues pruned to eliminate duplicates Z: 42 65.920 2.476 0.847 0.683 1.000 0.732 CB 1.902 42 residues pruned to eliminate duplicates Z: 18 35.924 2.367 1.153 0.743 0.882 0.706 CB 1.559 18 residues pruned to eliminate duplicates Z: 19 23.047 2.146 0.496 0.857 0.889 0.833 CB 1.403 19 residues pruned to eliminate duplicates Z: 17 30.367 2.283 0.667 0.831 0.938 0.812 CB 1.599 17 residues pruned to eliminate duplicates Z: 17 49.484 2.381 1.053 0.906 0.938 0.812 CB 1.919 17 residues pruned to eliminate duplicates Z: 13 27.875 2.029 0.923 0.866 1.000 0.750 CB 1.509 13 residues pruned to eliminate duplicates Z: 17 29.100 2.302 0.565 0.848 0.938 0.875 CB 1.598 17 residues pruned to eliminate duplicates Z: 12 24.877 2.135 0.968 0.784 0.909 0.818 CB 1.530 12 residues pruned to eliminate duplicates Z: 80 84.345 2.421 0.957 0.698 0.949 0.734 CB 1.760 79 residues pruned to eliminate duplicates Z: 18 30.301 2.231 0.689 0.842 0.941 0.706 CB 1.544 18 residues pruned to eliminate duplicates Z: 43 69.265 2.409 1.125 0.681 0.952 0.714 CB 1.857 43 residues pruned to eliminate duplicates Z: 15 30.709 2.181 0.965 0.905 1.000 0.643 CB 1.363 14 residues pruned to eliminate duplicates Z: 11 24.184 2.213 0.773 0.825 0.900 0.800 CB 1.635 11 residues pruned to eliminate duplicates Z: 13 31.542 2.399 1.077 0.879 0.917 0.667 CB 1.446 13 residues pruned to eliminate duplicates Z: 29 38.678 2.387 0.862 0.656 0.929 0.643 CB 1.532 29 residues pruned to eliminate duplicates Z: 11 27.844 2.296 1.070 0.823 0.900 0.700 CB 1.556 11 residues pruned to eliminate duplicates Z: 61 76.881 2.459 1.064 0.688 0.950 0.700 CB 1.732 61 residues pruned to eliminate duplicates Z: 17 47.066 2.325 1.036 0.913 1.000 0.938 CA 1.759 17 residues pruned to eliminate duplicates Z: 15 55.342 2.641 1.031 0.915 0.929 0.857 CB 2.099 15 residues pruned to eliminate duplicates Z: 61 66.993 2.435 0.930 0.652 0.917 0.650 CB 1.743 61 residues pruned to eliminate duplicates Z: 60 79.665 2.488 1.008 0.702 0.949 0.763 CB 1.819 60 residues pruned to eliminate duplicates Z: 81 82.529 2.406 0.913 0.691 0.975 0.788 CB 1.727 81 residues pruned to eliminate duplicates Z: 20 38.830 2.336 1.049 0.664 1.000 0.632 CB 1.600 21 residues pruned to eliminate duplicates Z: 17 33.842 2.449 0.340 0.866 1.000 0.812 CA 1.887 17 residues pruned to eliminate duplicates Z: 60 85.758 2.523 0.889 0.720 1.000 0.763 CB 1.921 61 residues pruned to eliminate duplicates Z: 13 21.298 2.291 0.344 0.842 1.000 0.833 CB 1.488 13 residues pruned to eliminate duplicates Z: 10 23.301 2.133 0.664 0.754 1.000 0.889 CB 1.744 10 residues pruned to eliminate duplicates Z: 11 30.107 2.233 0.958 0.926 1.000 1.000 CB 1.527 11 residues pruned to eliminate duplicates Z: 17 33.859 2.476 0.396 0.873 0.938 0.750 CA 1.903 17 residues pruned to eliminate duplicates Z: 16 63.641 2.506 1.266 0.905 1.000 0.600 CA 2.058 16 residues pruned to eliminate duplicates Z: 17 27.792 2.264 0.499 0.863 0.938 0.938 CB 1.602 17 residues pruned to eliminate duplicates Z: 13 30.596 2.367 0.746 0.845 1.000 0.833 CB 1.589 13 residues pruned to eliminate duplicates Z: 61 87.122 2.474 1.091 0.700 0.967 0.717 CB 1.875 61 residues pruned to eliminate duplicates Z: 16 40.378 2.336 0.952 0.893 1.000 0.933 CB 1.641 16 residues pruned to eliminate duplicates Z: 16 37.993 2.465 0.585 0.870 1.000 0.933 CB 1.834 16 residues pruned to eliminate duplicates Z: 80 81.798 2.405 0.982 0.694 0.937 0.646 CB 1.727 80 residues pruned to eliminate duplicates Z: 12 24.442 2.288 0.844 0.833 0.909 0.455 CB 1.442 12 residues pruned to eliminate duplicates Z: 13 29.392 2.328 0.771 0.857 0.917 0.667 CB 1.655 13 residues pruned to eliminate duplicates Z: 17 37.504 2.236 0.807 0.909 1.000 0.875 CB 1.647 17 residues pruned to eliminate duplicates Z: 62 77.841 2.468 0.836 0.707 0.967 0.836 CB 1.884 62 residues pruned to eliminate duplicates Z: 51 69.964 2.398 1.007 0.693 0.980 0.780 CB 1.758 51 residues pruned to eliminate duplicates Z: 12 32.164 2.425 0.761 0.908 1.000 0.818 CB 1.614 12 residues pruned to eliminate duplicates Z: 17 29.537 2.305 0.823 0.674 0.875 0.750 CB 1.710 17 residues pruned to eliminate duplicates Z: 37 63.022 2.451 1.167 0.695 0.917 0.694 CB 1.804 37 residues pruned to eliminate duplicates Z: 18 31.099 2.391 0.251 0.885 1.000 0.882 CB 1.820 18 residues pruned to eliminate duplicates Z: 13 24.203 2.226 0.760 0.840 0.917 0.750 CB 1.452 13 residues pruned to eliminate duplicates Z: 16 45.997 2.571 0.664 0.896 1.000 0.867 CB 1.988 16 residues pruned to eliminate duplicates Z: 16 27.143 2.189 0.449 0.891 1.000 0.933 CB 1.588 16 residues pruned to eliminate duplicates Z: 20 34.040 2.280 1.001 0.645 0.895 0.684 CB 1.671 20 residues pruned to eliminate duplicates Z: 16 31.365 2.309 0.493 0.912 1.000 1.000 CB 1.664 16 residues pruned to eliminate duplicates Z: 16 54.164 2.538 0.905 0.920 1.000 0.933 CB 2.037 16 residues pruned to eliminate duplicates Z: 16 38.612 2.521 0.716 0.885 1.000 0.867 CB 1.665 16 residues pruned to eliminate duplicates Z: 11 29.020 2.260 0.905 0.901 1.000 1.000 CB 1.522 11 residues pruned to eliminate duplicates Z: 61 88.603 2.514 0.943 0.722 1.000 0.833 CB 1.917 61 residues pruned to eliminate duplicates Z: 13 23.581 2.207 0.521 0.652 1.000 0.667 CB 1.759 13 residues pruned to eliminate duplicates Z: 81 80.005 2.380 0.916 0.706 0.950 0.750 CB 1.712 81 residues pruned to eliminate duplicates Z: 79 84.367 2.356 1.137 0.651 0.936 0.628 CB 1.760 79 residues pruned to eliminate duplicates Z: 37 48.210 2.290 0.686 0.722 0.972 0.778 CB 1.753 37 residues pruned to eliminate duplicates Z: 15 24.568 2.105 0.679 0.848 0.929 0.786 CB 1.485 15 residues pruned to eliminate duplicates Z: 61 73.507 2.406 0.836 0.708 0.983 0.800 CB 1.809 61 residues pruned to eliminate duplicates Z: 78 93.865 2.475 0.965 0.701 0.961 0.779 CB 1.906 62 residues pruned to eliminate duplicates Z: 10 14.001 2.093 0.873 0.770 0.889 0.667 CB 1.055 10 residues pruned to eliminate duplicates Z: 26 59.876 2.468 0.994 0.714 1.000 0.760 CB 2.004 26 residues pruned to eliminate duplicates Z: 17 42.325 2.479 0.802 0.893 0.938 0.812 CB 1.814 17 residues pruned to eliminate duplicates Z: 61 86.758 2.495 0.974 0.701 0.983 0.817 CB 1.925 61 residues pruned to eliminate duplicates Z: 16 34.477 2.267 0.713 0.927 1.000 0.800 CB 1.607 16 residues pruned to eliminate duplicates Z: 16 32.571 2.321 0.510 0.912 1.000 0.933 CB 1.700 16 residues pruned to eliminate duplicates Z: 17 24.816 2.292 0.380 0.855 0.938 0.938 CB 1.543 17 residues pruned to eliminate duplicates Z: 12 19.912 1.924 0.709 0.821 1.000 0.818 CB 1.382 12 residues pruned to eliminate duplicates Z: 50 72.287 2.490 0.874 0.664 1.000 0.796 CB 1.902 50 residues pruned to eliminate duplicates Z: 15 28.885 2.255 0.750 0.663 0.929 0.714 CB 1.812 15 residues pruned to eliminate duplicates Z: 16 77.159 2.575 1.518 0.945 1.000 0.867 CA 2.126 16 residues pruned to eliminate duplicates Z: 38 57.754 2.426 0.836 0.637 0.973 0.784 CB 1.927 38 residues pruned to eliminate duplicates Z: 34 37.008 2.226 0.777 0.600 0.879 0.606 CA 1.686 34 residues pruned to eliminate duplicates Z: 7 4.696 1.761 0.345 0.495 0.667 0.667 N 1.221 Z: 30 33.489 2.235 0.906 0.612 0.897 0.621 CB 1.464 30 residues pruned to eliminate duplicates Z: 50 64.060 2.394 1.073 0.661 0.898 0.714 CB 1.769 50 residues pruned to eliminate duplicates Z: 14 30.026 2.230 1.058 0.853 0.846 0.692 CB 1.586 14 residues pruned to eliminate duplicates Z: 60 62.124 2.407 0.884 0.654 0.915 0.695 CB 1.689 60 residues pruned to eliminate duplicates Z: 56 59.503 2.332 0.935 0.593 0.945 0.764 CB 1.720 56 residues pruned to eliminate duplicates Z: 82 80.955 2.413 0.944 0.654 0.926 0.741 CB 1.795 82 residues pruned to eliminate duplicates Z: 80 81.808 2.426 0.879 0.704 0.962 0.734 CB 1.742 80 residues pruned to eliminate duplicates Z: 13 37.975 2.239 0.990 0.872 1.000 0.833 CA 1.794 13 residues pruned to eliminate duplicates Z: 14 24.902 2.342 0.657 0.750 0.846 0.769 CB 1.682 14 residues pruned to eliminate duplicates Z: 8 17.037 2.191 0.458 0.778 1.000 0.714 CA 1.577 8 residues pruned to eliminate duplicates Z: 12 22.846 2.397 0.988 0.472 0.909 0.636 CB 1.636 12 residues pruned to eliminate duplicates Z: 12 30.843 2.310 0.877 0.834 1.000 0.909 CB 1.607 12 residues pruned to eliminate duplicates Z: 17 37.599 2.234 0.951 0.889 0.938 0.812 CB 1.656 17 residues pruned to eliminate duplicates Z: 64 71.136 2.397 0.894 0.674 0.937 0.714 CB 1.795 64 residues pruned to eliminate duplicates Z: 60 78.924 2.505 0.805 0.700 0.983 0.797 CB 1.926 60 residues pruned to eliminate duplicates Z: 44 45.068 2.174 0.681 0.655 0.953 0.744 CB 1.707 44 residues pruned to eliminate duplicates Z: 11 24.276 2.352 0.675 0.634 1.000 0.900 CA 1.719 11 residues pruned to eliminate duplicates Z: 24 39.726 2.333 0.833 0.648 0.957 0.652 CB 1.765 24 residues pruned to eliminate duplicates Z: 9 10.045 1.842 0.649 0.493 0.750 0.625 CB 1.570 9 residues pruned to eliminate duplicates Z: 13 29.475 2.228 0.721 0.893 1.000 0.917 CB 1.593 13 residues pruned to eliminate duplicates Z: 12 30.149 2.243 0.928 0.879 1.000 0.727 CB 1.525 12 residues pruned to eliminate duplicates Z: 60 82.765 2.480 1.073 0.690 0.949 0.678 CB 1.856 60 residues pruned to eliminate duplicates Z: 52 60.033 2.329 0.995 0.676 0.902 0.706 CB 1.706 52 residues pruned to eliminate duplicates Z: 11 21.046 2.147 0.390 0.893 1.000 0.900 CA 1.601 11 residues pruned to eliminate duplicates Z: 16 63.664 2.513 1.249 0.918 1.000 0.800 CA 2.052 16 residues pruned to eliminate duplicates Z: 18 39.590 2.331 0.957 0.746 0.941 0.647 CB 1.796 18 residues pruned to eliminate duplicates Z: 46 54.763 2.385 1.002 0.617 0.911 0.689 CB 1.680 45 residues pruned to eliminate duplicates Z: 6 11.876 2.130 0.718 0.785 0.800 0.800 CB 1.412 6 residues pruned to eliminate duplicates Z: 47 68.817 2.445 1.034 0.631 0.957 0.804 CB 1.886 47 residues pruned to eliminate duplicates Z: 10 39.326 2.409 1.098 0.843 1.000 0.556 CB 1.931 10 residues pruned to eliminate duplicates Z: 16 41.651 2.414 0.906 0.715 1.000 0.867 CA 1.924 16 residues pruned to eliminate duplicates Z: 8 3.072 1.275 0.782 0.447 0.857 0.714 CB 0.630 Z: 32 46.303 2.297 0.766 0.740 0.968 0.935 CB 1.709 32 residues pruned to eliminate duplicates Z: 44 57.961 2.380 0.846 0.644 0.953 0.651 CB 1.843 44 residues pruned to eliminate duplicates Z: 31 55.416 2.420 0.990 0.623 0.967 0.733 CB 1.935 31 residues pruned to eliminate duplicates Z: 59 73.777 2.366 1.095 0.673 0.931 0.759 CB 1.790 59 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 61 71.837 2.412 0.828 0.723 0.950 0.750 CB 1.811 61 residues pruned to eliminate duplicates Z: 80 83.184 2.421 0.901 0.698 0.975 0.835 CB 1.742 80 residues pruned to eliminate duplicates Z: 80 79.994 2.418 0.892 0.690 0.949 0.722 CB 1.741 80 residues pruned to eliminate duplicates Z: 80 83.018 2.416 0.943 0.697 0.975 0.709 CB 1.705 80 residues pruned to eliminate duplicates Z: 18 34.772 2.268 0.682 0.842 1.000 0.824 CB 1.648 18 residues pruned to eliminate duplicates Z: 78 73.375 2.401 0.851 0.684 0.935 0.714 CB 1.699 18 residues pruned to eliminate duplicates Z: 17 35.073 2.311 0.823 0.853 0.938 0.938 CB 1.641 17 residues pruned to eliminate duplicates Z: 81 82.329 2.397 0.934 0.693 0.963 0.738 CB 1.728 63 residues pruned to eliminate duplicates Z: 17 35.797 2.261 0.655 0.894 1.000 0.938 CB 1.716 17 residues pruned to eliminate duplicates Z: 81 79.028 2.406 0.889 0.689 0.950 0.738 CB 1.721 81 residues pruned to eliminate duplicates Z: 80 77.738 2.423 0.887 0.696 0.924 0.759 CB 1.732 80 residues pruned to eliminate duplicates Z: 80 80.714 2.415 0.917 0.696 0.962 0.747 CB 1.705 80 residues pruned to eliminate duplicates Z: 80 80.015 2.421 0.924 0.679 0.937 0.696 CB 1.750 80 residues pruned to eliminate duplicates Z: 80 82.358 2.423 0.942 0.696 0.962 0.709 CB 1.712 80 residues pruned to eliminate duplicates Z: 17 33.205 2.302 0.759 0.856 0.938 0.875 CB 1.613 17 residues pruned to eliminate duplicates Z: 79 83.843 2.434 0.913 0.703 0.974 0.731 CB 1.739 80 residues pruned to eliminate duplicates Z: 17 33.560 2.292 0.664 0.845 1.000 1.000 CB 1.636 17 residues pruned to eliminate duplicates Z: 80 80.929 2.429 0.886 0.701 0.949 0.810 CB 1.744 80 residues pruned to eliminate duplicates Z: 80 82.522 2.419 0.914 0.698 0.962 0.747 CB 1.739 80 residues pruned to eliminate duplicates Z: 70 67.791 2.396 0.842 0.651 0.928 0.667 CB 1.731 70 residues pruned to eliminate duplicates Z: 61 77.889 2.479 1.062 0.676 0.950 0.683 CB 1.760 61 residues pruned to eliminate duplicates Z: 80 82.090 2.418 0.942 0.687 0.962 0.734 CB 1.722 80 residues pruned to eliminate duplicates Z: 80 82.470 2.417 0.935 0.700 0.962 0.747 CB 1.719 80 residues pruned to eliminate duplicates Z: 80 79.448 2.407 0.955 0.684 0.937 0.633 CB 1.713 80 residues pruned to eliminate duplicates Z: 80 82.053 2.426 0.940 0.700 0.937 0.759 CB 1.746 80 residues pruned to eliminate duplicates Z: 62 77.267 2.449 1.108 0.667 0.934 0.656 CB 1.758 61 residues pruned to eliminate duplicates Z: 12 26.429 2.059 1.082 0.842 0.909 0.818 CB 1.523 12 residues pruned to eliminate duplicates Z: 34 65.321 2.443 1.030 0.730 0.970 0.758 CB 1.922 34 residues pruned to eliminate duplicates Z: 61 73.958 2.396 0.863 0.708 0.967 0.767 CB 1.831 61 residues pruned to eliminate duplicates Z: 61 76.074 2.471 1.009 0.678 0.950 0.683 CB 1.768 61 residues pruned to eliminate duplicates Z: 80 82.361 2.418 0.967 0.679 0.949 0.709 CB 1.740 80 residues pruned to eliminate duplicates Z: 80 83.916 2.416 0.974 0.687 0.962 0.772 CB 1.734 80 residues pruned to eliminate duplicates Z: 80 82.147 2.417 0.999 0.682 0.937 0.722 CB 1.728 80 residues pruned to eliminate duplicates Z: 80 80.022 2.418 0.862 0.696 0.949 0.709 CB 1.761 80 residues pruned to eliminate duplicates Z: 61 77.472 2.478 1.003 0.676 0.950 0.667 CB 1.805 61 residues pruned to eliminate duplicates Z: 80 82.301 2.423 0.919 0.694 0.949 0.759 CB 1.757 80 residues pruned to eliminate duplicates Z: 17 49.396 2.388 1.077 0.887 0.938 0.750 CB 1.915 17 residues pruned to eliminate duplicates Z: 65 68.687 2.428 0.909 0.661 0.938 0.750 CB 1.702 65 residues pruned to eliminate duplicates Z: 80 81.874 2.413 0.967 0.687 0.949 0.671 CB 1.722 80 residues pruned to eliminate duplicates Z: 17 56.542 2.410 1.117 0.922 1.000 0.875 CA 1.948 17 residues pruned to eliminate duplicates Z: 80 83.512 2.420 0.975 0.686 0.949 0.722 CB 1.746 80 residues pruned to eliminate duplicates Z: 61 74.335 2.473 0.967 0.690 0.917 0.800 CB 1.809 61 residues pruned to eliminate duplicates Z: 80 81.490 2.415 0.977 0.684 0.949 0.696 CB 1.708 80 residues pruned to eliminate duplicates Z: 79 76.785 2.419 0.845 0.700 0.936 0.821 CB 1.734 79 residues pruned to eliminate duplicates Z: 79 82.155 2.422 0.954 0.703 0.949 0.705 CB 1.723 80 residues pruned to eliminate duplicates Z: 16 68.985 2.571 1.388 0.905 1.000 0.800 CA 2.065 16 residues pruned to eliminate duplicates Z: 44 64.953 2.434 0.973 0.662 0.977 0.698 CB 1.818 44 residues pruned to eliminate duplicates Z: 62 75.009 2.452 1.016 0.673 0.934 0.656 CB 1.772 62 residues pruned to eliminate duplicates Z: 80 85.217 2.420 1.003 0.692 0.949 0.734 CB 1.748 80 residues pruned to eliminate duplicates Z: 62 73.394 2.448 1.041 0.671 0.918 0.656 CB 1.750 62 residues pruned to eliminate duplicates Z: 80 82.323 2.420 0.906 0.701 0.962 0.734 CB 1.738 80 residues pruned to eliminate duplicates Z: 80 83.020 2.412 0.981 0.691 0.949 0.696 CB 1.729 80 residues pruned to eliminate duplicates Z: 62 77.290 2.386 1.032 0.707 0.984 0.754 CB 1.719 62 residues pruned to eliminate duplicates Z: 80 80.233 2.399 0.897 0.691 0.949 0.696 CB 1.755 80 residues pruned to eliminate duplicates Z: 80 82.649 2.410 0.955 0.682 0.962 0.646 CB 1.736 80 residues pruned to eliminate duplicates Z: 80 84.441 2.422 0.974 0.696 0.949 0.734 CB 1.751 80 residues pruned to eliminate duplicates Z: 61 75.139 2.407 0.887 0.713 0.967 0.733 CB 1.822 61 residues pruned to eliminate duplicates Z: 31 38.572 2.409 0.939 0.609 0.900 0.633 CB 1.511 31 residues pruned to eliminate duplicates Z: 80 85.022 2.417 0.916 0.708 0.975 0.797 CB 1.754 80 residues pruned to eliminate duplicates Z: 62 77.279 2.447 1.069 0.670 0.951 0.639 CB 1.757 62 residues pruned to eliminate duplicates Z: 80 82.284 2.413 0.940 0.690 0.962 0.709 CB 1.728 80 residues pruned to eliminate duplicates Z: 62 75.051 2.428 1.017 0.673 0.951 0.738 CB 1.760 62 residues pruned to eliminate duplicates Z: 19 36.124 2.447 0.850 0.696 0.944 0.667 CB 1.665 19 residues pruned to eliminate duplicates Z: 30 39.277 2.352 1.042 0.629 0.897 0.586 CB 1.501 30 residues pruned to eliminate duplicates Z: 62 79.520 2.460 1.109 0.666 0.951 0.656 CB 1.770 62 residues pruned to eliminate duplicates Z: 80 85.994 2.421 1.000 0.707 0.949 0.684 CB 1.744 80 residues pruned to eliminate duplicates Z: 80 83.064 2.412 1.059 0.679 0.924 0.671 CB 1.726 80 residues pruned to eliminate duplicates Z: 80 84.900 2.423 0.934 0.709 0.962 0.734 CB 1.753 80 residues pruned to eliminate duplicates Z: 80 84.029 2.405 0.943 0.706 0.975 0.785 CB 1.720 80 residues pruned to eliminate duplicates Z: 80 80.637 2.409 0.901 0.684 0.949 0.734 CB 1.763 80 residues pruned to eliminate duplicates Z: 80 82.823 2.405 0.944 0.690 0.962 0.785 CB 1.741 80 residues pruned to eliminate duplicates Z: 81 81.019 2.400 0.962 0.690 0.938 0.738 CB 1.725 81 residues pruned to eliminate duplicates Z: 80 85.497 2.419 1.006 0.710 0.937 0.734 CB 1.749 80 residues pruned to eliminate duplicates Z: 80 80.365 2.412 0.947 0.686 0.937 0.696 CB 1.733 80 residues pruned to eliminate duplicates Z: 21 32.469 2.314 0.894 0.666 0.900 0.800 CB 1.578 21 residues pruned to eliminate duplicates Z: 80 83.006 2.415 0.973 0.690 0.949 0.722 CB 1.735 80 residues pruned to eliminate duplicates Z: 79 84.594 2.429 0.916 0.711 0.962 0.718 CB 1.767 79 residues pruned to eliminate duplicates Z: 20 37.340 2.231 1.156 0.708 0.947 0.579 CB 1.556 20 residues pruned to eliminate duplicates Z: 62 78.632 2.474 0.923 0.693 0.951 0.705 CB 1.865 62 residues pruned to eliminate duplicates Z: 62 80.600 2.479 0.889 0.694 0.967 0.754 CB 1.909 62 residues pruned to eliminate duplicates Z: 60 79.681 2.527 0.844 0.719 0.949 0.831 CB 1.924 60 residues pruned to eliminate duplicates Z: 60 84.247 2.485 1.003 0.691 0.949 0.712 CB 1.950 60 residues pruned to eliminate duplicates Z: 62 83.338 2.478 0.959 0.692 0.967 0.754 CB 1.907 62 residues pruned to eliminate duplicates Z: 21 33.538 2.364 0.765 0.699 0.850 0.650 CB 1.763 21 residues pruned to eliminate duplicates Z: 62 82.200 2.472 0.973 0.685 0.984 0.738 CB 1.851 62 residues pruned to eliminate duplicates Z: 62 83.987 2.470 0.956 0.692 0.967 0.721 CB 1.932 62 residues pruned to eliminate duplicates Z: 61 83.702 2.492 1.014 0.685 0.950 0.750 CB 1.913 61 residues pruned to eliminate duplicates Z: 61 84.090 2.498 0.903 0.699 0.983 0.783 CB 1.936 61 residues pruned to eliminate duplicates Z: 60 86.377 2.527 0.916 0.719 0.983 0.797 CB 1.937 60 residues pruned to eliminate duplicates Z: 62 83.454 2.461 1.026 0.697 0.967 0.738 CB 1.852 62 residues pruned to eliminate duplicates Z: 61 83.997 2.508 0.948 0.706 0.967 0.733 CB 1.903 61 residues pruned to eliminate duplicates Z: 59 91.712 2.546 1.058 0.730 0.983 0.776 CB 1.901 59 residues pruned to eliminate duplicates Z: 63 79.003 2.459 0.995 0.684 0.935 0.774 CB 1.846 63 residues pruned to eliminate duplicates Z: 61 91.916 2.519 1.030 0.718 1.000 0.783 CB 1.907 61 residues pruned to eliminate duplicates Z: 61 85.306 2.503 0.974 0.707 0.967 0.800 CB 1.910 61 residues pruned to eliminate duplicates Z: 62 84.355 2.491 0.979 0.700 0.951 0.803 CB 1.922 62 residues pruned to eliminate duplicates Z: 62 87.491 2.480 1.018 0.711 0.984 0.787 CB 1.879 62 residues pruned to eliminate duplicates Z: 77 98.693 2.493 1.031 0.714 0.961 0.750 CB 1.917 18 residues pruned to eliminate duplicates Z: 14 34.874 2.222 1.174 0.763 1.000 0.846 CB 1.585 14 residues pruned to eliminate duplicates Z: 42 69.778 2.473 1.063 0.698 0.927 0.732 CB 1.924 42 residues pruned to eliminate duplicates Z: 42 72.091 2.487 1.018 0.686 0.976 0.756 CB 1.940 42 residues pruned to eliminate duplicates Z: 41 78.809 2.533 1.032 0.723 1.000 0.775 CB 1.979 41 residues pruned to eliminate duplicates Z: 12 32.397 2.132 1.202 0.824 1.000 0.727 CB 1.572 12 residues pruned to eliminate duplicates Z: 62 83.263 2.483 0.930 0.711 0.967 0.705 CB 1.900 62 residues pruned to eliminate duplicates Z: 61 90.961 2.502 1.049 0.723 0.967 0.783 CB 1.937 61 residues pruned to eliminate duplicates Z: 12 28.497 2.133 1.214 0.749 0.909 0.727 CB 1.603 12 residues pruned to eliminate duplicates Z: 60 76.828 2.451 0.882 0.684 0.966 0.746 CB 1.895 60 residues pruned to eliminate duplicates Z: 61 84.101 2.485 0.998 0.694 0.950 0.733 CB 1.928 61 residues pruned to eliminate duplicates Z: 41 80.022 2.521 1.123 0.695 1.000 0.775 CB 1.978 41 residues pruned to eliminate duplicates Z: 42 75.048 2.498 1.008 0.694 1.000 0.756 CB 1.957 42 residues pruned to eliminate duplicates Z: 62 87.645 2.481 1.080 0.705 0.951 0.754 CB 1.898 62 residues pruned to eliminate duplicates Z: 62 78.070 2.487 0.919 0.706 0.902 0.754 CB 1.926 62 residues pruned to eliminate duplicates Z: 61 88.167 2.521 0.950 0.729 0.983 0.867 CB 1.915 61 residues pruned to eliminate duplicates Z: 61 83.382 2.496 0.911 0.694 0.983 0.817 CB 1.923 61 residues pruned to eliminate duplicates Z: 63 81.138 2.448 0.940 0.679 0.984 0.758 CB 1.870 63 residues pruned to eliminate duplicates Z: 43 65.358 2.437 0.957 0.663 0.976 0.738 CB 1.863 43 residues pruned to eliminate duplicates Z: 61 80.466 2.437 1.035 0.656 0.983 0.750 CB 1.843 40 residues pruned to eliminate duplicates Z: 16 64.020 2.640 1.150 0.908 1.000 0.933 CA 2.067 16 residues pruned to eliminate duplicates Z: 61 89.823 2.516 1.046 0.716 0.967 0.783 CB 1.917 61 residues pruned to eliminate duplicates Z: 61 87.391 2.509 1.005 0.727 0.967 0.800 CB 1.891 61 residues pruned to eliminate duplicates Z: 63 81.414 2.446 0.991 0.697 0.952 0.758 CB 1.865 63 residues pruned to eliminate duplicates Z: 42 72.561 2.504 0.986 0.699 0.976 0.756 CB 1.949 42 residues pruned to eliminate duplicates Z: 62 83.649 2.467 1.005 0.692 0.967 0.754 CB 1.879 62 residues pruned to eliminate duplicates Z: 62 83.867 2.459 1.043 0.679 0.951 0.738 CB 1.907 62 residues pruned to eliminate duplicates Z: 42 75.855 2.498 1.171 0.708 0.951 0.756 CB 1.900 42 residues pruned to eliminate duplicates Z: 46 52.815 2.341 1.089 0.555 0.889 0.622 CB 1.716 46 residues pruned to eliminate duplicates Z: 41 84.932 2.541 1.266 0.729 0.950 0.800 CB 1.997 41 residues pruned to eliminate duplicates Z: 61 80.734 2.443 1.034 0.691 0.933 0.717 CB 1.887 61 residues pruned to eliminate duplicates Z: 77 94.494 2.488 1.008 0.712 0.947 0.711 CB 1.889 77 residues pruned to eliminate duplicates Z: 62 87.502 2.467 1.098 0.709 0.951 0.738 CB 1.883 62 residues pruned to eliminate duplicates Z: 42 82.234 2.487 1.212 0.713 1.000 0.683 CB 1.925 42 residues pruned to eliminate duplicates Z: 60 89.532 2.518 1.119 0.703 0.966 0.797 CB 1.879 60 residues pruned to eliminate duplicates Z: 61 88.331 2.481 1.063 0.696 0.967 0.750 CB 1.927 61 residues pruned to eliminate duplicates Z: 41 81.832 2.525 1.268 0.689 0.975 0.625 CB 1.949 41 residues pruned to eliminate duplicates Z: 41 81.758 2.521 1.135 0.720 1.000 0.725 CB 1.968 41 residues pruned to eliminate duplicates Z: 61 85.614 2.475 1.028 0.706 0.967 0.817 CB 1.889 61 residues pruned to eliminate duplicates Z: 19 44.139 2.423 1.147 0.730 1.000 0.778 CB 1.625 20 residues pruned to eliminate duplicates Z: 14 38.298 2.440 1.068 0.761 1.000 0.692 CB 1.670 14 residues pruned to eliminate duplicates Z: 43 58.642 2.420 1.038 0.657 0.881 0.762 CB 1.801 43 residues pruned to eliminate duplicates Z: 44 53.376 2.373 0.918 0.668 0.884 0.767 CB 1.733 44 residues pruned to eliminate duplicates Z: 19 40.488 2.371 0.985 0.698 1.000 0.667 CB 1.692 19 residues pruned to eliminate duplicates Z: 19 41.098 2.376 1.085 0.685 0.944 0.722 CB 1.748 19 residues pruned to eliminate duplicates Z: 19 41.475 2.419 1.165 0.730 0.944 0.778 CB 1.608 19 residues pruned to eliminate duplicates Z: 20 37.640 2.342 1.065 0.673 0.895 0.789 CB 1.701 20 residues pruned to eliminate duplicates Z: 19 42.419 2.362 1.184 0.692 0.944 0.667 CB 1.722 19 residues pruned to eliminate duplicates Z: 20 42.122 2.290 1.193 0.644 1.000 0.632 CB 1.682 20 residues pruned to eliminate duplicates Z: 19 40.970 2.406 1.128 0.730 0.944 0.667 CB 1.623 19 residues pruned to eliminate duplicates Z: 19 40.569 2.365 1.120 0.715 0.944 0.778 CB 1.662 19 residues pruned to eliminate duplicates Z: 21 39.985 2.281 1.011 0.644 1.000 0.750 CB 1.705 21 residues pruned to eliminate duplicates Z: 57 87.460 2.470 1.196 0.669 0.964 0.696 CB 1.912 61 residues pruned to eliminate duplicates 150 residues left after pruning, divided into chains as follows: A: 77 B: 73 CC for partial structure against native data = 43.77 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.652, Connect. = 0.801 for dens.mod. cycle 1 = 0.300, Contrast = 0.728, Connect. = 0.821 for dens.mod. cycle 2 = 0.300, Contrast = 0.884, Connect. = 0.848 for dens.mod. cycle 3 = 0.300, Contrast = 0.892, Connect. = 0.850 for dens.mod. cycle 4 = 0.300, Contrast = 0.903, Connect. = 0.851 for dens.mod. cycle 5 = 0.300, Contrast = 0.903, Connect. = 0.852 for dens.mod. cycle 6 = 0.300, Contrast = 0.906, Connect. = 0.853 for dens.mod. cycle 7 = 0.300, Contrast = 0.905, Connect. = 0.854 for dens.mod. cycle 8 = 0.300, Contrast = 0.905, Connect. = 0.854 for dens.mod. cycle 9 = 0.300, Contrast = 0.903, Connect. = 0.854 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1084 peaks > 0.5 sigma used to seed fragment search Space for about 256 unique residues taking solvent into account 214 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 18 42.146 2.245 0.952 0.830 1.000 0.765 CA 1.754 B: 16 59.871 2.551 1.196 0.907 0.933 0.800 CA 2.102 C: 18 59.220 2.378 1.214 0.918 1.000 0.706 CB 1.923 17 residues pruned to eliminate duplicates D: 16 52.565 2.492 0.886 0.905 1.000 0.800 CA 2.055 18 residues pruned to eliminate duplicates E: 17 60.400 2.450 1.314 0.912 0.938 0.875 CB 2.012 17 residues pruned to eliminate duplicates F: 18 45.849 2.451 0.760 0.896 0.941 0.765 CB 1.962 G: 19 35.332 2.386 0.731 0.801 0.944 0.833 CB 1.641 19 residues pruned to eliminate duplicates H: 16 52.761 2.492 0.940 0.932 1.000 0.867 CA 1.968 16 residues pruned to eliminate duplicates I: 17 56.182 2.394 1.140 0.918 1.000 0.875 CB 1.934 16 residues pruned to eliminate duplicates J: 18 56.834 2.345 1.330 0.912 1.000 0.706 CB 1.786 18 residues pruned to eliminate duplicates K: 16 58.023 2.585 0.973 0.903 1.000 0.667 CB 2.094 16 residues pruned to eliminate duplicates L: 17 53.950 2.406 1.251 0.930 0.938 0.688 CA 1.858 17 residues pruned to eliminate duplicates M: 16 58.911 2.496 1.124 0.906 1.000 0.667 CB 2.041 16 residues pruned to eliminate duplicates N: 14 28.256 2.152 0.796 0.865 1.000 0.538 CB 1.486 O: 76 88.363 2.470 1.013 0.673 0.960 0.760 CB 1.822 50 residues pruned to eliminate duplicates P: 18 58.899 2.355 1.342 0.906 1.000 0.824 CB 1.842 18 residues pruned to eliminate duplicates Q: 14 27.764 2.222 0.940 0.721 1.000 0.615 CB 1.464 15 residues pruned to eliminate duplicates R: 15 26.817 2.337 0.356 0.921 0.929 0.857 CB 1.714 S: 12 26.331 2.193 0.586 0.909 1.000 0.727 CB 1.620 T: 10 34.970 2.433 0.953 0.862 1.000 0.778 CB 1.801 10 residues pruned to eliminate duplicates U: 17 33.706 2.254 0.648 0.914 1.000 0.750 CB 1.605 15 residues pruned to eliminate duplicates V: 17 36.558 2.231 0.771 0.905 1.000 0.875 CB 1.646 17 residues pruned to eliminate duplicates W: 12 20.610 2.402 0.428 0.802 0.909 0.818 CB 1.531 12 residues pruned to eliminate duplicates X: 16 66.366 2.557 1.323 0.911 1.000 0.867 CA 2.044 17 residues pruned to eliminate duplicates Y: 60 66.321 2.402 0.827 0.639 0.949 0.763 CB 1.821 24 residues pruned to eliminate duplicates Z: 11 30.090 2.299 0.859 0.856 1.000 0.800 CB 1.643 11 residues pruned to eliminate duplicates Z: 17 52.941 2.403 1.039 0.896 1.000 0.938 CA 1.935 17 residues pruned to eliminate duplicates Z: 17 39.481 2.503 0.511 0.859 1.000 0.812 CA 1.920 17 residues pruned to eliminate duplicates Z: 11 27.279 2.251 0.738 0.883 1.000 0.900 CB 1.594 11 residues pruned to eliminate duplicates Z: 17 48.502 2.317 1.005 0.915 1.000 0.938 CA 1.844 17 residues pruned to eliminate duplicates Z: 16 46.877 2.587 0.723 0.896 1.000 0.933 CB 1.945 16 residues pruned to eliminate duplicates Z: 18 51.009 2.342 0.960 0.909 1.000 0.824 CB 1.912 18 residues pruned to eliminate duplicates Z: 13 27.840 2.307 0.723 0.879 1.000 0.583 CB 1.465 13 residues pruned to eliminate duplicates Z: 39 81.852 2.555 1.150 0.747 1.000 0.737 CB 1.938 36 residues pruned to eliminate duplicates Z: 17 36.467 2.256 0.759 0.850 1.000 0.875 CB 1.702 17 residues pruned to eliminate duplicates Z: 80 76.064 2.392 0.845 0.696 0.937 0.772 CB 1.732 47 residues pruned to eliminate duplicates Z: 16 44.376 2.554 0.729 0.889 1.000 1.000 CB 1.868 16 residues pruned to eliminate duplicates Z: 40 79.011 2.542 1.049 0.726 1.000 0.795 CB 1.981 40 residues pruned to eliminate duplicates Z: 16 25.638 2.305 0.368 0.853 0.933 0.867 CB 1.663 16 residues pruned to eliminate duplicates Z: 17 54.914 2.425 0.967 0.918 1.000 0.875 CB 2.031 17 residues pruned to eliminate duplicates Z: 15 28.392 2.355 0.354 0.935 1.000 1.000 CB 1.659 15 residues pruned to eliminate duplicates Z: 16 35.158 2.301 0.683 0.895 1.000 0.867 CB 1.681 16 residues pruned to eliminate duplicates Z: 80 79.903 2.399 0.925 0.679 0.949 0.684 CB 1.739 80 residues pruned to eliminate duplicates Z: 15 20.571 2.316 0.001 0.938 1.000 0.929 CB 1.648 15 residues pruned to eliminate duplicates Z: 16 64.367 2.587 1.322 0.927 0.933 0.867 CA 2.078 16 residues pruned to eliminate duplicates Z: 12 21.619 2.054 0.597 0.836 1.000 0.727 CB 1.488 12 residues pruned to eliminate duplicates Z: 17 27.757 2.283 0.404 0.863 0.938 0.875 CB 1.695 16 residues pruned to eliminate duplicates Z: 17 56.667 2.504 1.079 0.905 0.938 0.875 CA 2.067 17 residues pruned to eliminate duplicates Z: 80 79.934 2.384 0.887 0.707 0.949 0.709 CB 1.745 79 residues pruned to eliminate duplicates Z: 41 76.855 2.500 1.178 0.724 0.950 0.700 CB 1.919 41 residues pruned to eliminate duplicates Z: 16 46.498 2.427 0.777 0.899 1.000 0.933 CB 1.990 16 residues pruned to eliminate duplicates Z: 12 19.227 2.086 0.472 0.804 1.000 0.727 CB 1.448 12 residues pruned to eliminate duplicates Z: 12 27.702 2.257 0.662 0.854 1.000 0.636 CA 1.645 12 residues pruned to eliminate duplicates Z: 12 18.780 2.020 0.639 0.784 0.909 0.727 CB 1.465 12 residues pruned to eliminate duplicates Z: 16 34.073 2.305 0.639 0.887 1.000 0.933 CB 1.679 16 residues pruned to eliminate duplicates Z: 12 28.203 2.139 1.020 0.877 1.000 0.727 CB 1.429 12 residues pruned to eliminate duplicates Z: 16 34.963 2.312 0.647 0.907 1.000 1.000 CB 1.684 16 residues pruned to eliminate duplicates Z: 41 80.204 2.487 1.211 0.728 0.975 0.675 CB 1.926 41 residues pruned to eliminate duplicates Z: 17 67.978 2.475 1.351 0.935 1.000 0.938 CA 2.035 17 residues pruned to eliminate duplicates Z: 17 24.736 2.287 0.299 0.853 0.938 0.875 CB 1.642 17 residues pruned to eliminate duplicates Z: 12 25.821 2.017 1.053 0.847 1.000 0.909 CB 1.396 12 residues pruned to eliminate duplicates Z: 17 44.949 2.415 0.754 0.886 1.000 0.875 CA 1.914 17 residues pruned to eliminate duplicates Z: 17 47.496 2.407 0.827 0.893 1.000 0.875 CB 1.939 17 residues pruned to eliminate duplicates Z: 17 55.131 2.433 1.018 0.906 1.000 0.562 CB 1.997 17 residues pruned to eliminate duplicates Z: 13 28.282 2.152 0.731 0.867 1.000 0.667 CA 1.604 13 residues pruned to eliminate duplicates Z: 79 78.207 2.395 0.870 0.696 0.962 0.756 CB 1.719 79 residues pruned to eliminate duplicates Z: 16 54.238 2.576 0.942 0.914 1.000 0.933 CB 1.980 16 residues pruned to eliminate duplicates Z: 80 76.636 2.399 0.803 0.695 0.962 0.772 CB 1.734 80 residues pruned to eliminate duplicates Z: 28 36.672 2.400 0.904 0.651 0.889 0.704 CB 1.509 28 residues pruned to eliminate duplicates Z: 17 43.818 2.410 0.719 0.878 1.000 0.938 CB 1.918 17 residues pruned to eliminate duplicates Z: 17 54.650 2.471 0.965 0.894 1.000 0.812 CA 2.018 17 residues pruned to eliminate duplicates Z: 38 67.467 2.483 1.226 0.678 0.946 0.757 CB 1.801 38 residues pruned to eliminate duplicates Z: 12 22.250 2.076 0.641 0.865 1.000 0.818 CB 1.443 12 residues pruned to eliminate duplicates Z: 13 28.968 2.376 0.804 0.861 0.917 0.750 CB 1.563 13 residues pruned to eliminate duplicates Z: 13 24.086 2.365 0.693 0.868 0.833 0.833 CB 1.524 13 residues pruned to eliminate duplicates Z: 59 81.038 2.492 0.937 0.710 0.966 0.810 CB 1.886 40 residues pruned to eliminate duplicates Z: 20 31.804 2.287 0.882 0.659 0.895 0.579 CB 1.635 20 residues pruned to eliminate duplicates Z: 12 20.844 2.056 0.758 0.847 0.909 0.727 CB 1.419 12 residues pruned to eliminate duplicates Z: 32 35.021 2.357 0.955 0.580 0.839 0.645 CB 1.507 32 residues pruned to eliminate duplicates Z: 19 37.122 2.346 1.037 0.679 0.944 0.778 CB 1.644 19 residues pruned to eliminate duplicates Z: 56 84.823 2.464 1.129 0.671 0.982 0.636 CB 1.896 56 residues pruned to eliminate duplicates Z: 17 31.223 2.208 0.571 0.888 1.000 0.938 CB 1.621 17 residues pruned to eliminate duplicates Z: 12 23.219 2.144 0.864 0.845 0.818 0.727 CA 1.592 12 residues pruned to eliminate duplicates Z: 10 12.104 2.044 0.313 0.561 0.889 0.444 CA 1.594 10 residues pruned to eliminate duplicates Z: 40 73.403 2.517 1.069 0.731 0.949 0.692 CB 1.932 40 residues pruned to eliminate duplicates Z: 11 31.591 2.220 1.049 0.876 1.000 0.800 CB 1.596 11 residues pruned to eliminate duplicates Z: 17 47.925 2.382 0.890 0.910 1.000 0.875 CA 1.887 17 residues pruned to eliminate duplicates Z: 61 83.942 2.483 0.949 0.707 0.983 0.750 CB 1.886 61 residues pruned to eliminate duplicates Z: 44 62.514 2.442 0.880 0.674 0.953 0.698 CB 1.854 44 residues pruned to eliminate duplicates Z: 80 78.651 2.377 0.852 0.693 0.962 0.772 CB 1.750 80 residues pruned to eliminate duplicates Z: 17 38.869 2.509 0.432 0.901 1.000 0.938 CB 1.931 17 residues pruned to eliminate duplicates Z: 77 91.648 2.468 0.973 0.701 0.974 0.711 CB 1.847 59 residues pruned to eliminate duplicates Z: 11 27.874 2.130 0.832 0.921 1.000 1.000 CB 1.589 11 residues pruned to eliminate duplicates Z: 19 37.191 2.433 1.106 0.543 0.889 0.667 CB 1.847 19 residues pruned to eliminate duplicates Z: 11 32.049 2.301 1.101 0.849 1.000 0.800 CB 1.554 11 residues pruned to eliminate duplicates Z: 16 61.217 2.457 1.295 0.910 1.000 0.400 CB 1.987 16 residues pruned to eliminate duplicates Z: 17 54.138 2.380 1.089 0.905 1.000 0.938 CB 1.937 17 residues pruned to eliminate duplicates Z: 17 40.250 2.293 0.885 0.842 1.000 0.750 CA 1.735 17 residues pruned to eliminate duplicates Z: 18 30.415 2.192 0.657 0.848 1.000 0.824 CB 1.506 18 residues pruned to eliminate duplicates Z: 16 24.571 2.268 0.220 0.886 1.000 1.000 CB 1.654 16 residues pruned to eliminate duplicates Z: 18 38.041 2.437 0.449 0.880 1.000 0.882 CB 1.893 18 residues pruned to eliminate duplicates Z: 9 24.708 2.171 0.824 0.714 1.000 0.875 CB 1.818 9 residues pruned to eliminate duplicates Z: 17 33.570 2.234 1.259 0.693 0.938 0.562 CB 1.487 17 residues pruned to eliminate duplicates Z: 13 28.465 2.230 1.038 0.914 0.917 0.917 CB 1.395 13 residues pruned to eliminate duplicates Z: 11 30.295 2.300 0.905 0.896 1.000 0.800 CB 1.567 11 residues pruned to eliminate duplicates Z: 62 75.188 2.445 0.974 0.676 0.951 0.705 CB 1.783 62 residues pruned to eliminate duplicates Z: 31 58.162 2.402 0.981 0.728 1.000 0.800 CB 1.817 31 residues pruned to eliminate duplicates Z: 60 81.185 2.484 0.860 0.717 0.983 0.814 CB 1.913 60 residues pruned to eliminate duplicates Z: 40 81.215 2.521 1.155 0.738 0.974 0.821 CB 1.984 40 residues pruned to eliminate duplicates Z: 11 28.183 2.220 1.044 0.800 0.900 0.400 CB 1.678 11 residues pruned to eliminate duplicates Z: 13 25.001 2.231 0.747 0.879 0.917 0.833 CB 1.465 13 residues pruned to eliminate duplicates Z: 16 36.221 2.302 0.752 0.911 1.000 0.933 CB 1.644 16 residues pruned to eliminate duplicates Z: 60 57.202 2.328 0.865 0.612 0.932 0.644 CB 1.655 60 residues pruned to eliminate duplicates Z: 16 32.004 2.318 0.494 0.906 1.000 1.000 CB 1.697 16 residues pruned to eliminate duplicates Z: 8 6.098 1.641 0.330 0.401 0.857 0.571 CB 1.368 Z: 60 81.574 2.480 0.849 0.722 0.983 0.831 CB 1.929 60 residues pruned to eliminate duplicates Z: 18 41.089 2.448 0.560 0.887 1.000 0.882 CA 1.881 18 residues pruned to eliminate duplicates Z: 62 68.413 2.362 0.797 0.704 0.967 0.770 CB 1.773 62 residues pruned to eliminate duplicates Z: 11 26.124 2.238 1.043 0.828 0.900 0.900 CB 1.511 11 residues pruned to eliminate duplicates Z: 13 28.134 2.104 0.916 0.910 1.000 0.917 CB 1.428 13 residues pruned to eliminate duplicates Z: 21 29.956 2.233 0.892 0.632 0.850 0.600 CA 1.648 21 residues pruned to eliminate duplicates Z: 17 36.610 2.547 0.615 0.835 0.938 0.938 CB 1.777 17 residues pruned to eliminate duplicates Z: 41 84.284 2.497 1.223 0.745 1.000 0.700 CB 1.929 41 residues pruned to eliminate duplicates Z: 16 29.944 2.254 0.568 0.854 1.000 0.933 CB 1.615 16 residues pruned to eliminate duplicates Z: 8 13.710 2.136 0.425 0.830 0.857 0.429 CB 1.493 8 residues pruned to eliminate duplicates Z: 38 42.850 2.216 0.628 0.713 0.946 0.757 CB 1.701 38 residues pruned to eliminate duplicates Z: 56 79.118 2.455 1.057 0.683 0.964 0.673 CB 1.854 56 residues pruned to eliminate duplicates Z: 44 46.580 2.273 0.757 0.611 0.907 0.651 CB 1.764 44 residues pruned to eliminate duplicates Z: 49 66.158 2.443 0.905 0.640 0.958 0.729 CB 1.878 49 residues pruned to eliminate duplicates Z: 18 43.641 2.329 1.009 0.757 1.000 0.765 CB 1.799 18 residues pruned to eliminate duplicates Z: 61 84.100 2.463 1.055 0.706 0.967 0.717 CB 1.841 61 residues pruned to eliminate duplicates Z: 75 83.339 2.431 0.970 0.651 0.959 0.662 CB 1.831 31 residues pruned to eliminate duplicates Z: 6 7.292 1.643 0.608 0.807 1.000 0.600 CB 0.945 Z: 17 32.322 2.222 0.549 0.875 1.000 0.938 CB 1.708 17 residues pruned to eliminate duplicates Z: 61 83.206 2.459 0.990 0.696 0.983 0.733 CB 1.867 61 residues pruned to eliminate duplicates Z: 12 18.019 1.916 0.579 0.806 1.000 0.727 CA 1.374 12 residues pruned to eliminate duplicates Z: 8 14.514 2.199 0.331 0.785 1.000 0.857 CA 1.459 8 residues pruned to eliminate duplicates Z: 14 31.204 2.391 0.793 0.687 0.923 0.846 CA 1.842 14 residues pruned to eliminate duplicates Z: 17 43.356 2.502 0.855 0.860 0.875 0.750 CB 1.962 17 residues pruned to eliminate duplicates Z: 60 72.254 2.424 0.817 0.734 0.966 0.847 CB 1.791 60 residues pruned to eliminate duplicates 7 1.897 1.087 0.268 0.342 1.000 0.667 N 0.667 ? Z: 44 60.272 2.442 0.856 0.679 0.930 0.744 CB 1.850 44 residues pruned to eliminate duplicates Z: 29 31.037 2.257 0.798 0.612 0.857 0.643 CB 1.517 29 residues pruned to eliminate duplicates Z: 6 2.527 1.356 0.442 0.457 0.800 0.800 N 0.755 Z: 16 40.289 2.252 0.857 0.955 1.000 1.000 CB 1.709 18 residues pruned to eliminate duplicates Z: 26 43.487 2.241 0.760 0.687 1.000 0.760 CB 1.857 26 residues pruned to eliminate duplicates Z: 6 5.642 1.691 0.615 0.616 0.800 0.600 CB 1.035 Z: 31 39.112 2.230 0.730 0.659 0.967 0.667 CB 1.652 31 residues pruned to eliminate duplicates Z: 61 70.419 2.436 0.809 0.711 0.900 0.767 CB 1.894 61 residues pruned to eliminate duplicates Z: 80 76.652 2.402 0.853 0.698 0.937 0.785 CB 1.726 80 residues pruned to eliminate duplicates Z: 17 60.647 2.433 1.435 0.902 0.938 0.688 CB 1.947 17 residues pruned to eliminate duplicates Z: 33 41.006 2.187 0.660 0.716 0.969 0.875 CB 1.696 33 residues pruned to eliminate duplicates Z: 60 77.012 2.461 0.859 0.701 0.966 0.797 CB 1.890 48 residues pruned to eliminate duplicates Z: 8 19.375 2.325 0.791 0.590 1.000 0.429 CA 1.613 8 residues pruned to eliminate duplicates 7 1.036 1.478 0.044 0.302 0.667 0.667 CB 0.513 ? Z: 14 25.620 2.337 0.692 0.572 0.846 0.769 CA 1.980 14 residues pruned to eliminate duplicates Z: 18 46.420 2.435 0.944 0.875 0.941 0.882 CB 1.838 18 residues pruned to eliminate duplicates Z: 42 54.875 2.423 0.832 0.666 0.902 0.756 CB 1.834 42 residues pruned to eliminate duplicates Z: 38 41.150 2.397 1.006 0.568 0.865 0.703 CB 1.524 38 residues pruned to eliminate duplicates Z: 46 72.389 2.438 1.048 0.746 0.978 0.733 CB 1.774 46 residues pruned to eliminate duplicates Z: 16 30.282 2.171 0.734 0.874 1.000 0.933 CB 1.512 16 residues pruned to eliminate duplicates Z: 76 68.565 2.389 0.760 0.669 0.947 0.667 CB 1.701 76 residues pruned to eliminate duplicates Z: 61 75.385 2.459 0.907 0.691 0.967 0.750 CB 1.803 61 residues pruned to eliminate duplicates Z: 7 10.896 2.164 0.444 0.781 0.833 0.667 CB 1.333 7 residues pruned to eliminate duplicates Z: 13 8.169 1.774 0.289 0.577 0.750 0.583 CB 1.276 13 residues pruned to eliminate duplicates Z: 9 6.979 1.806 0.141 0.454 0.875 0.500 N 1.435 9 residues pruned to eliminate duplicates Z: 7 3.377 1.575 0.302 0.432 0.667 0.500 CB 1.082 Z: 6 7.806 1.692 0.874 0.773 1.000 0.800 CB 0.865 6 residues pruned to eliminate duplicates Z: 12 18.817 2.286 0.589 0.613 0.818 0.727 CA 1.716 12 residues pruned to eliminate duplicates Z: 16 35.714 2.264 0.804 0.925 1.000 0.867 CB 1.585 16 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 80 76.535 2.404 0.805 0.697 0.949 0.722 CB 1.746 80 residues pruned to eliminate duplicates Z: 80 80.947 2.409 0.917 0.698 0.937 0.734 CB 1.758 80 residues pruned to eliminate duplicates Z: 17 58.893 2.430 1.171 0.882 1.000 0.688 CA 2.019 17 residues pruned to eliminate duplicates Z: 61 72.546 2.467 0.950 0.671 0.917 0.633 CB 1.814 61 residues pruned to eliminate duplicates Z: 80 81.107 2.403 0.913 0.672 0.975 0.696 CB 1.738 80 residues pruned to eliminate duplicates Z: 16 65.527 2.582 1.211 0.910 1.000 0.800 CA 2.102 16 residues pruned to eliminate duplicates Z: 80 80.625 2.410 0.907 0.686 0.949 0.722 CB 1.753 80 residues pruned to eliminate duplicates Z: 61 77.018 2.460 0.979 0.686 0.967 0.700 CB 1.782 61 residues pruned to eliminate duplicates Z: 80 78.453 2.405 0.878 0.687 0.949 0.696 CB 1.735 80 residues pruned to eliminate duplicates Z: 79 79.009 2.421 0.903 0.684 0.936 0.756 CB 1.752 79 residues pruned to eliminate duplicates Z: 80 80.168 2.405 0.894 0.680 0.962 0.747 CB 1.743 80 residues pruned to eliminate duplicates Z: 79 79.010 2.414 0.887 0.689 0.962 0.782 CB 1.719 79 residues pruned to eliminate duplicates Z: 80 81.677 2.412 0.904 0.697 0.949 0.734 CB 1.762 80 residues pruned to eliminate duplicates Z: 80 79.081 2.398 0.888 0.681 0.962 0.696 CB 1.730 80 residues pruned to eliminate duplicates Z: 80 82.137 2.407 0.861 0.701 0.975 0.785 CB 1.763 78 residues pruned to eliminate duplicates Z: 6 3.628 1.853 0.427 0.237 0.800 0.600 CA 1.040 6 residues pruned to eliminate duplicates Z: 80 78.123 2.399 0.877 0.676 0.949 0.797 CB 1.748 80 residues pruned to eliminate duplicates Z: 80 80.951 2.406 0.843 0.706 0.962 0.785 CB 1.771 80 residues pruned to eliminate duplicates Z: 62 77.053 2.447 0.978 0.670 0.967 0.656 CB 1.801 62 residues pruned to eliminate duplicates Z: 80 82.588 2.405 0.890 0.697 0.962 0.696 CB 1.775 80 residues pruned to eliminate duplicates Z: 62 72.937 2.442 1.013 0.674 0.918 0.689 CB 1.763 62 residues pruned to eliminate duplicates Z: 80 84.710 2.407 0.940 0.704 0.962 0.709 CB 1.762 80 residues pruned to eliminate duplicates Z: 6 8.149 1.767 0.681 0.379 1.000 0.400 N 1.396 6 residues pruned to eliminate duplicates Z: 80 80.679 2.386 0.936 0.697 0.949 0.734 CB 1.729 80 residues pruned to eliminate duplicates Z: 80 80.377 2.409 0.921 0.689 0.949 0.658 CB 1.731 80 residues pruned to eliminate duplicates Z: 79 82.195 2.425 0.926 0.688 0.949 0.731 CB 1.767 79 residues pruned to eliminate duplicates Z: 14 29.022 2.237 0.905 0.750 1.000 0.769 CB 1.510 15 residues pruned to eliminate duplicates Z: 11 31.464 2.336 0.965 0.892 1.000 0.600 CB 1.558 11 residues pruned to eliminate duplicates Z: 80 78.929 2.403 0.846 0.686 0.962 0.734 CB 1.755 80 residues pruned to eliminate duplicates Z: 80 78.958 2.401 0.906 0.680 0.962 0.722 CB 1.710 80 residues pruned to eliminate duplicates Z: 80 82.807 2.391 0.955 0.692 0.962 0.734 CB 1.739 80 residues pruned to eliminate duplicates Z: 80 81.227 2.405 0.885 0.689 0.962 0.747 CB 1.762 80 residues pruned to eliminate duplicates Z: 80 77.595 2.395 0.891 0.685 0.937 0.759 CB 1.736 80 residues pruned to eliminate duplicates Z: 80 75.608 2.405 0.861 0.682 0.937 0.646 CB 1.717 80 residues pruned to eliminate duplicates Z: 77 78.481 2.406 0.881 0.695 0.961 0.697 CB 1.733 77 residues pruned to eliminate duplicates Z: 78 78.126 2.396 0.951 0.670 0.935 0.623 CB 1.741 60 residues pruned to eliminate duplicates Z: 18 24.177 2.182 0.308 0.782 0.941 0.765 CB 1.703 18 residues pruned to eliminate duplicates Z: 18 32.045 2.265 0.546 0.809 1.000 0.941 CB 1.695 18 residues pruned to eliminate duplicates Z: 79 72.487 2.384 0.818 0.676 0.936 0.705 CB 1.722 19 residues pruned to eliminate duplicates Z: 17 25.270 2.275 0.380 0.832 0.938 0.875 CB 1.611 17 residues pruned to eliminate duplicates Z: 80 82.258 2.415 0.868 0.703 0.962 0.722 CB 1.772 80 residues pruned to eliminate duplicates Z: 80 81.291 2.412 0.889 0.701 0.949 0.759 CB 1.759 80 residues pruned to eliminate duplicates Z: 16 30.108 2.294 0.464 0.892 1.000 1.000 CB 1.662 16 residues pruned to eliminate duplicates Z: 80 77.558 2.407 0.798 0.701 0.949 0.759 CB 1.768 79 residues pruned to eliminate duplicates Z: 16 27.856 2.307 0.442 0.872 0.933 0.933 CB 1.689 16 residues pruned to eliminate duplicates Z: 80 76.965 2.410 0.840 0.696 0.937 0.759 CB 1.744 80 residues pruned to eliminate duplicates Z: 79 80.641 2.430 0.869 0.707 0.949 0.679 CB 1.756 79 residues pruned to eliminate duplicates Z: 16 28.269 2.330 0.553 0.868 0.933 0.800 CB 1.581 16 residues pruned to eliminate duplicates Z: 18 30.627 2.233 0.475 0.839 1.000 0.941 CB 1.685 18 residues pruned to eliminate duplicates Z: 80 75.921 2.411 0.817 0.693 0.937 0.759 CB 1.745 80 residues pruned to eliminate duplicates Z: 80 81.452 2.411 0.914 0.696 0.949 0.759 CB 1.749 80 residues pruned to eliminate duplicates Z: 16 34.038 2.311 0.638 0.887 1.000 0.933 CB 1.675 16 residues pruned to eliminate duplicates Z: 79 67.882 2.342 0.817 0.677 0.910 0.679 CB 1.686 79 residues pruned to eliminate duplicates Z: 80 77.250 2.404 0.829 0.702 0.937 0.759 CB 1.756 80 residues pruned to eliminate duplicates Z: 80 75.994 2.413 0.811 0.695 0.924 0.785 CB 1.772 80 residues pruned to eliminate duplicates Z: 80 80.048 2.414 0.839 0.696 0.962 0.785 CB 1.763 80 residues pruned to eliminate duplicates Z: 80 82.451 2.413 0.877 0.700 0.962 0.772 CB 1.774 80 residues pruned to eliminate duplicates Z: 6 7.838 1.973 0.475 0.363 1.000 0.600 CB 1.396 6 residues pruned to eliminate duplicates Z: 80 80.459 2.407 0.850 0.705 0.949 0.722 CB 1.777 80 residues pruned to eliminate duplicates Z: 80 76.835 2.393 0.835 0.690 0.962 0.797 CB 1.720 80 residues pruned to eliminate duplicates Z: 80 82.135 2.412 0.896 0.705 0.949 0.797 CB 1.767 80 residues pruned to eliminate duplicates Z: 12 21.233 2.035 0.638 0.846 1.000 0.909 CB 1.426 12 residues pruned to eliminate duplicates Z: 60 74.393 2.486 0.911 0.689 0.949 0.712 CB 1.806 60 residues pruned to eliminate duplicates Z: 12 23.922 2.087 0.733 0.876 1.000 0.909 CB 1.449 12 residues pruned to eliminate duplicates Z: 79 81.124 2.417 0.862 0.694 0.974 0.756 CB 1.754 79 residues pruned to eliminate duplicates Z: 80 76.106 2.393 0.876 0.685 0.924 0.772 CB 1.741 80 residues pruned to eliminate duplicates Z: 80 82.256 2.409 0.826 0.693 0.987 0.722 CB 1.785 80 residues pruned to eliminate duplicates Z: 80 78.894 2.398 0.873 0.689 0.962 0.747 CB 1.727 80 residues pruned to eliminate duplicates Z: 80 75.262 2.414 0.865 0.684 0.911 0.658 CB 1.743 80 residues pruned to eliminate duplicates Z: 80 74.922 2.397 0.801 0.686 0.949 0.747 CB 1.734 80 residues pruned to eliminate duplicates Z: 80 78.155 2.407 0.845 0.696 0.937 0.810 CB 1.767 80 residues pruned to eliminate duplicates Z: 80 77.433 2.405 0.845 0.679 0.949 0.722 CB 1.754 80 residues pruned to eliminate duplicates Z: 80 84.608 2.408 0.915 0.705 0.975 0.772 CB 1.758 80 residues pruned to eliminate duplicates Z: 42 75.145 2.485 1.045 0.709 1.000 0.707 CB 1.910 42 residues pruned to eliminate duplicates Z: 40 76.117 2.543 1.017 0.734 0.974 0.795 CB 1.977 40 residues pruned to eliminate duplicates Z: 43 64.261 2.420 1.043 0.664 0.929 0.738 CB 1.856 43 residues pruned to eliminate duplicates Z: 60 84.275 2.448 1.085 0.706 0.949 0.729 CB 1.878 60 residues pruned to eliminate duplicates Z: 40 81.362 2.534 1.137 0.717 1.000 0.769 CB 1.977 40 residues pruned to eliminate duplicates Z: 42 68.055 2.475 1.057 0.697 0.927 0.683 CB 1.881 42 residues pruned to eliminate duplicates Z: 42 69.693 2.449 1.123 0.686 0.951 0.610 CB 1.856 42 residues pruned to eliminate duplicates Z: 74 84.086 2.437 1.008 0.677 0.932 0.740 CB 1.835 74 residues pruned to eliminate duplicates Z: 42 74.983 2.472 1.098 0.708 0.976 0.683 CB 1.916 42 residues pruned to eliminate duplicates Z: 40 76.672 2.513 1.161 0.714 0.974 0.718 CB 1.911 40 residues pruned to eliminate duplicates Z: 39 87.818 2.573 1.223 0.741 1.000 0.789 CB 2.007 39 residues pruned to eliminate duplicates Z: 41 75.243 2.509 1.068 0.691 1.000 0.675 CB 1.925 41 residues pruned to eliminate duplicates Z: 41 73.910 2.478 1.080 0.700 0.975 0.800 CB 1.937 41 residues pruned to eliminate duplicates Z: 42 75.446 2.460 1.150 0.691 0.976 0.683 CB 1.917 42 residues pruned to eliminate duplicates Z: 60 81.559 2.462 1.068 0.702 0.932 0.678 CB 1.862 60 residues pruned to eliminate duplicates Z: 61 85.504 2.463 1.062 0.690 0.983 0.717 CB 1.856 61 residues pruned to eliminate duplicates Z: 76 86.534 2.462 1.072 0.692 0.907 0.707 CB 1.812 76 residues pruned to eliminate duplicates Z: 41 76.045 2.484 1.162 0.710 0.975 0.600 CB 1.897 41 residues pruned to eliminate duplicates Z: 60 88.389 2.511 1.097 0.707 0.949 0.712 CB 1.907 60 residues pruned to eliminate duplicates Z: 41 75.119 2.449 1.134 0.705 0.950 0.750 CB 1.985 41 residues pruned to eliminate duplicates Z: 61 86.814 2.477 1.041 0.730 0.950 0.783 CB 1.897 61 residues pruned to eliminate duplicates Z: 41 80.164 2.510 1.163 0.731 0.975 0.725 CB 1.945 41 residues pruned to eliminate duplicates Z: 42 74.207 2.464 1.250 0.714 0.927 0.683 CB 1.857 42 residues pruned to eliminate duplicates Z: 57 83.559 2.475 1.118 0.664 0.982 0.696 CB 1.862 57 residues pruned to eliminate duplicates Z: 77 87.665 2.455 1.020 0.672 0.947 0.711 CB 1.826 77 residues pruned to eliminate duplicates Z: 77 90.388 2.452 1.055 0.674 0.961 0.737 CB 1.825 77 residues pruned to eliminate duplicates Z: 20 37.437 2.348 0.969 0.657 0.947 0.737 CB 1.695 20 residues pruned to eliminate duplicates Z: 76 96.009 2.487 1.099 0.692 0.960 0.680 CB 1.856 76 residues pruned to eliminate duplicates Z: 20 36.791 2.330 0.919 0.657 1.000 0.684 CB 1.632 20 residues pruned to eliminate duplicates Z: 18 47.325 2.462 1.235 0.732 1.000 0.706 CB 1.693 18 residues pruned to eliminate duplicates Z: 23 32.400 2.313 1.014 0.607 0.773 0.545 CB 1.734 23 residues pruned to eliminate duplicates Z: 19 33.735 2.318 0.924 0.716 0.889 0.667 CB 1.650 19 residues pruned to eliminate duplicates Z: 18 42.722 2.462 1.044 0.712 1.000 0.765 CB 1.698 18 residues pruned to eliminate duplicates Z: 19 34.666 2.330 0.930 0.697 0.944 0.667 CB 1.607 19 residues pruned to eliminate duplicates Z: 19 38.058 2.347 1.006 0.691 0.944 0.667 CB 1.693 18 residues pruned to eliminate duplicates Z: 14 25.649 2.183 0.746 0.868 1.000 0.846 CB 1.365 15 residues pruned to eliminate duplicates Z: 13 26.052 2.338 0.837 0.879 0.833 0.583 CB 1.524 13 residues pruned to eliminate duplicates Z: 19 38.356 2.339 1.073 0.690 0.944 0.611 CB 1.658 19 residues pruned to eliminate duplicates Z: 19 40.534 2.345 1.019 0.676 1.000 0.556 CB 1.716 19 residues pruned to eliminate duplicates Z: 19 41.075 2.340 1.040 0.683 1.000 0.833 CB 1.714 18 residues pruned to eliminate duplicates Z: 12 28.952 2.350 0.850 0.796 1.000 0.636 CB 1.549 12 residues pruned to eliminate duplicates Z: 78 89.280 2.453 0.934 0.701 0.948 0.714 CB 1.884 60 residues pruned to eliminate duplicates Z: 13 20.353 2.224 0.623 0.794 0.833 0.667 CB 1.510 13 residues pruned to eliminate duplicates Z: 78 88.806 2.469 0.954 0.710 0.935 0.766 CB 1.853 78 residues pruned to eliminate duplicates Z: 76 87.315 2.494 0.893 0.704 0.947 0.787 CB 1.874 76 residues pruned to eliminate duplicates Z: 60 86.354 2.524 0.922 0.709 1.000 0.780 CB 1.917 60 residues pruned to eliminate duplicates Z: 61 85.142 2.471 0.975 0.710 0.983 0.750 CB 1.893 61 residues pruned to eliminate duplicates Z: 62 80.379 2.466 0.915 0.696 0.967 0.787 CB 1.883 62 residues pruned to eliminate duplicates Z: 59 87.226 2.529 0.919 0.724 1.000 0.810 CB 1.929 59 residues pruned to eliminate duplicates Z: 60 79.453 2.481 0.931 0.695 0.932 0.797 CB 1.937 60 residues pruned to eliminate duplicates Z: 61 81.066 2.475 0.916 0.698 0.983 0.717 CB 1.873 61 residues pruned to eliminate duplicates Z: 78 93.053 2.454 0.988 0.692 0.974 0.740 CB 1.871 78 residues pruned to eliminate duplicates Z: 19 37.057 2.405 0.659 0.802 0.944 0.833 CB 1.780 19 residues pruned to eliminate duplicates Z: 62 83.580 2.455 0.985 0.699 0.984 0.770 CB 1.862 62 residues pruned to eliminate duplicates Z: 62 80.783 2.463 0.967 0.679 0.967 0.754 CB 1.873 62 residues pruned to eliminate duplicates Z: 61 78.862 2.464 0.911 0.706 0.950 0.750 CB 1.887 61 residues pruned to eliminate duplicates Z: 21 41.302 2.375 0.842 0.702 0.950 0.700 CB 1.848 21 residues pruned to eliminate duplicates Z: 62 83.874 2.447 1.001 0.699 0.984 0.689 CB 1.860 62 residues pruned to eliminate duplicates Z: 63 75.224 2.451 0.896 0.668 0.935 0.677 CB 1.882 63 residues pruned to eliminate duplicates Z: 60 86.018 2.496 0.991 0.692 1.000 0.814 CB 1.890 60 residues pruned to eliminate duplicates Z: 62 81.901 2.441 0.986 0.704 0.951 0.770 CB 1.890 62 residues pruned to eliminate duplicates Z: 60 81.492 2.506 0.882 0.709 0.966 0.814 CB 1.926 60 residues pruned to eliminate duplicates Z: 77 90.568 2.470 1.040 0.697 0.934 0.684 CB 1.845 77 residues pruned to eliminate duplicates Z: 40 78.339 2.548 1.029 0.718 1.000 0.795 CB 1.991 40 residues pruned to eliminate duplicates Z: 62 83.505 2.449 1.015 0.708 0.967 0.754 CB 1.854 62 residues pruned to eliminate duplicates Z: 61 76.349 2.443 0.958 0.683 0.933 0.733 CB 1.866 61 residues pruned to eliminate duplicates Z: 61 80.596 2.443 1.019 0.705 0.933 0.650 CB 1.875 61 residues pruned to eliminate duplicates Z: 61 85.288 2.469 1.030 0.691 0.983 0.717 CB 1.875 61 residues pruned to eliminate duplicates Z: 61 83.171 2.455 1.056 0.681 0.983 0.700 CB 1.832 61 residues pruned to eliminate duplicates Z: 60 82.647 2.491 0.964 0.700 0.966 0.780 CB 1.897 60 residues pruned to eliminate duplicates Z: 42 71.775 2.450 1.128 0.683 0.951 0.732 CB 1.910 42 residues pruned to eliminate duplicates 154 residues left after pruning, divided into chains as follows: A: 77 B: 77 CC for partial structure against native data = 44.23 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.642, Connect. = 0.800 for dens.mod. cycle 1 = 0.300, Contrast = 0.716, Connect. = 0.819 for dens.mod. cycle 2 = 0.300, Contrast = 0.875, Connect. = 0.847 for dens.mod. cycle 3 = 0.300, Contrast = 0.883, Connect. = 0.849 for dens.mod. cycle 4 = 0.300, Contrast = 0.895, Connect. = 0.850 for dens.mod. cycle 5 = 0.300, Contrast = 0.895, Connect. = 0.852 for dens.mod. cycle 6 = 0.300, Contrast = 0.899, Connect. = 0.853 for dens.mod. cycle 7 = 0.300, Contrast = 0.898, Connect. = 0.853 for dens.mod. cycle 8 = 0.300, Contrast = 0.899, Connect. = 0.854 for dens.mod. cycle 9 = 0.300, Contrast = 0.897, Connect. = 0.854 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1107 peaks > 0.5 sigma used to seed fragment search Space for about 256 unique residues taking solvent into account 215 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 59.391 2.529 1.160 0.923 1.000 0.733 CA 1.973 B: 17 63.022 2.507 1.136 0.926 1.000 0.875 CA 2.063 16 residues pruned to eliminate duplicates C: 17 48.516 2.374 0.938 0.894 1.000 0.875 CA 1.891 D: 16 55.251 2.621 0.885 0.900 1.000 0.867 CA 2.063 16 residues pruned to eliminate duplicates E: 17 46.378 2.495 0.806 0.868 1.000 0.938 CB 1.881 F: 16 57.448 2.543 0.956 0.925 1.000 0.733 CA 2.093 17 residues pruned to eliminate duplicates G: 17 63.716 2.513 1.363 0.918 0.938 0.812 CB 2.017 17 residues pruned to eliminate duplicates H: 17 51.548 2.367 1.016 0.902 1.000 0.750 CB 1.927 16 residues pruned to eliminate duplicates I: 17 47.112 2.480 0.762 0.871 1.000 0.875 CB 1.967 18 residues pruned to eliminate duplicates J: 18 50.301 2.328 1.106 0.853 1.000 0.647 CB 1.840 18 residues pruned to eliminate duplicates K: 18 40.042 2.158 1.048 0.790 0.941 0.765 CA 1.810 18 residues pruned to eliminate duplicates L: 18 61.390 2.359 1.344 0.926 1.000 0.882 CB 1.888 18 residues pruned to eliminate duplicates M: 16 50.552 2.496 0.820 0.887 1.000 0.800 CB 2.071 16 residues pruned to eliminate duplicates N: 16 46.881 2.511 0.841 0.892 1.000 1.000 CB 1.881 16 residues pruned to eliminate duplicates O: 16 62.410 2.558 1.258 0.929 0.933 0.867 CA 2.092 17 residues pruned to eliminate duplicates P: 10 34.164 2.396 0.781 0.879 1.000 1.000 CA 1.935 Q: 17 53.895 2.373 1.085 0.909 1.000 0.688 CB 1.932 17 residues pruned to eliminate duplicates R: 10 21.155 2.494 0.351 0.881 0.889 0.778 CB 1.705 S: 9 15.065 1.996 0.644 0.779 0.750 0.750 CB 1.692 8 residues pruned to eliminate duplicates T: 16 34.882 2.292 0.683 0.903 1.000 1.000 CB 1.664 U: 19 39.201 2.395 0.642 0.795 1.000 0.778 CB 1.814 19 residues pruned to eliminate duplicates V: 13 27.006 2.331 0.708 0.863 1.000 0.833 CB 1.437 10 residues pruned to eliminate duplicates W: 17 48.146 2.473 0.947 0.869 0.938 0.750 CB 1.948 17 residues pruned to eliminate duplicates X: 12 31.219 2.175 1.148 0.884 1.000 1.000 CB 1.456 11 residues pruned to eliminate duplicates Y: 11 28.534 2.368 0.638 0.916 1.000 1.000 CB 1.642 Z: 16 28.389 2.273 0.420 0.901 1.000 0.933 CB 1.621 16 residues pruned to eliminate duplicates Z: 37 62.608 2.453 1.078 0.662 0.972 0.778 CB 1.813 33 residues pruned to eliminate duplicates Z: 79 89.117 2.451 0.987 0.690 0.962 0.692 CB 1.811 61 residues pruned to eliminate duplicates Z: 61 80.094 2.480 0.952 0.678 0.950 0.783 CB 1.909 61 residues pruned to eliminate duplicates Z: 16 58.490 2.517 1.064 0.918 1.000 0.733 CA 2.050 17 residues pruned to eliminate duplicates Z: 16 36.005 2.304 0.732 0.914 1.000 0.933 CB 1.647 16 residues pruned to eliminate duplicates Z: 17 51.978 2.448 1.028 0.926 0.938 0.938 CA 1.959 17 residues pruned to eliminate duplicates Z: 18 47.637 2.348 0.862 0.896 1.000 0.824 CA 1.893 18 residues pruned to eliminate duplicates Z: 11 31.255 2.321 0.771 0.912 1.000 0.900 CA 1.703 11 residues pruned to eliminate duplicates Z: 17 27.690 2.237 0.338 0.903 1.000 0.875 CB 1.648 16 residues pruned to eliminate duplicates Z: 17 38.810 2.464 0.714 0.882 0.938 0.812 CA 1.773 17 residues pruned to eliminate duplicates Z: 16 33.473 2.285 0.677 0.896 1.000 0.933 CB 1.616 16 residues pruned to eliminate duplicates Z: 12 21.584 2.044 0.605 0.861 1.000 0.909 CB 1.458 Z: 76 86.254 2.469 0.948 0.704 0.907 0.680 CB 1.897 76 residues pruned to eliminate duplicates Z: 19 24.081 2.132 0.405 0.795 0.944 0.778 CB 1.549 19 residues pruned to eliminate duplicates Z: 17 62.662 2.509 1.195 0.927 1.000 0.875 CA 1.994 17 residues pruned to eliminate duplicates Z: 16 29.838 2.304 0.427 0.891 1.000 1.000 CB 1.685 16 residues pruned to eliminate duplicates Z: 11 23.879 2.124 0.709 0.886 1.000 0.800 CB 1.500 11 residues pruned to eliminate duplicates Z: 16 38.573 2.305 0.880 0.897 1.000 1.000 CB 1.646 17 residues pruned to eliminate duplicates Z: 13 24.679 2.153 0.810 0.851 1.000 0.833 CB 1.353 12 residues pruned to eliminate duplicates Z: 21 34.265 2.271 0.950 0.658 0.950 0.650 CB 1.573 12 residues pruned to eliminate duplicates Z: 61 66.736 2.448 0.853 0.682 0.917 0.733 CB 1.753 49 residues pruned to eliminate duplicates Z: 16 50.663 2.515 0.868 0.885 1.000 0.800 CA 2.010 16 residues pruned to eliminate duplicates Z: 18 46.149 2.319 0.828 0.937 1.000 0.824 CB 1.837 18 residues pruned to eliminate duplicates Z: 16 34.775 2.301 0.724 0.897 1.000 1.000 CB 1.621 16 residues pruned to eliminate duplicates Z: 16 54.781 2.542 0.922 0.892 1.000 0.267 CA 2.080 16 residues pruned to eliminate duplicates Z: 13 26.350 2.034 0.778 0.855 1.000 0.750 CB 1.552 13 residues pruned to eliminate duplicates Z: 13 23.405 2.239 0.709 0.817 0.833 0.667 CB 1.608 13 residues pruned to eliminate duplicates Z: 17 55.011 2.463 1.133 0.890 0.938 0.625 CB 2.008 17 residues pruned to eliminate duplicates Z: 16 25.493 2.281 0.281 0.898 1.000 0.933 CB 1.611 16 residues pruned to eliminate duplicates Z: 12 22.419 2.085 0.543 0.847 1.000 0.818 CB 1.559 12 residues pruned to eliminate duplicates Z: 41 73.641 2.512 1.093 0.708 0.925 0.675 CB 1.982 41 residues pruned to eliminate duplicates Z: 15 35.454 2.339 0.772 0.928 1.000 0.857 CB 1.601 15 residues pruned to eliminate duplicates Z: 39 84.191 2.541 1.237 0.717 0.974 0.658 CA 2.028 41 residues pruned to eliminate duplicates Z: 17 39.721 2.491 0.709 0.875 0.938 0.688 CB 1.810 17 residues pruned to eliminate duplicates Z: 12 19.606 2.148 0.606 0.809 0.909 0.727 CB 1.439 12 residues pruned to eliminate duplicates Z: 17 44.409 2.365 0.885 0.846 0.938 0.812 CA 1.974 17 residues pruned to eliminate duplicates Z: 80 76.850 2.403 0.816 0.695 0.962 0.759 CB 1.724 79 residues pruned to eliminate duplicates Z: 70 63.446 2.353 0.803 0.631 0.928 0.667 CB 1.716 70 residues pruned to eliminate duplicates Z: 17 48.776 2.487 0.882 0.893 1.000 0.812 CB 1.871 17 residues pruned to eliminate duplicates Z: 18 36.800 2.488 0.547 0.851 0.941 0.882 CB 1.824 18 residues pruned to eliminate duplicates Z: 16 57.768 2.512 1.058 0.916 1.000 0.867 CB 2.037 16 residues pruned to eliminate duplicates Z: 16 48.887 2.540 0.860 0.907 0.933 0.733 CA 2.035 16 residues pruned to eliminate duplicates Z: 21 33.694 2.358 1.215 0.566 0.800 0.450 CB 1.691 7 residues pruned to eliminate duplicates Z: 79 77.002 2.406 0.849 0.693 0.962 0.718 CB 1.709 78 residues pruned to eliminate duplicates Z: 12 30.185 2.200 1.033 0.888 1.000 0.727 CB 1.466 12 residues pruned to eliminate duplicates Z: 17 51.657 2.380 0.975 0.926 1.000 0.938 CA 1.927 17 residues pruned to eliminate duplicates Z: 17 40.644 2.392 0.624 0.862 1.000 0.938 CA 1.920 17 residues pruned to eliminate duplicates Z: 13 28.190 2.320 0.655 0.832 1.000 0.833 CB 1.591 13 residues pruned to eliminate duplicates Z: 57 74.570 2.433 1.044 0.666 0.929 0.696 CB 1.851 57 residues pruned to eliminate duplicates Z: 29 41.113 2.361 0.951 0.664 0.929 0.786 CB 1.560 28 residues pruned to eliminate duplicates Z: 80 82.539 2.410 0.915 0.694 0.962 0.785 CB 1.752 80 residues pruned to eliminate duplicates Z: 16 49.999 2.527 0.803 0.917 1.000 0.933 CA 2.000 16 residues pruned to eliminate duplicates Z: 10 34.242 2.453 0.865 0.916 1.000 1.000 CA 1.762 10 residues pruned to eliminate duplicates Z: 78 63.589 2.349 0.902 0.629 0.870 0.688 CB 1.651 28 residues pruned to eliminate duplicates Z: 12 20.584 2.061 0.570 0.823 1.000 0.727 CB 1.450 12 residues pruned to eliminate duplicates Z: 14 17.617 1.982 0.848 0.752 0.769 0.615 CB 1.385 14 residues pruned to eliminate duplicates Z: 20 34.867 2.293 1.013 0.656 1.000 0.684 CB 1.498 20 residues pruned to eliminate duplicates Z: 78 80.627 2.433 0.830 0.704 0.974 0.714 CB 1.760 80 residues pruned to eliminate duplicates Z: 58 73.281 2.413 0.905 0.645 1.000 0.737 CB 1.845 58 residues pruned to eliminate duplicates Z: 17 43.692 2.307 0.900 0.901 0.938 0.875 CA 1.898 17 residues pruned to eliminate duplicates Z: 21 30.606 2.177 0.953 0.656 0.900 0.700 CB 1.547 21 residues pruned to eliminate duplicates Z: 16 49.238 2.539 0.825 0.893 1.000 0.867 CA 1.970 16 residues pruned to eliminate duplicates Z: 60 84.413 2.483 1.027 0.699 0.966 0.814 CB 1.886 55 residues pruned to eliminate duplicates Z: 16 46.756 2.494 0.749 0.891 1.000 0.933 CA 1.990 16 residues pruned to eliminate duplicates Z: 60 82.127 2.417 1.113 0.682 0.932 0.695 CB 1.900 60 residues pruned to eliminate duplicates Z: 13 24.363 2.330 0.753 0.868 0.833 0.750 CB 1.511 13 residues pruned to eliminate duplicates Z: 21 40.646 2.335 0.833 0.771 0.950 0.800 CB 1.759 21 residues pruned to eliminate duplicates Z: 16 25.178 2.347 0.752 0.680 0.867 0.733 CB 1.546 16 residues pruned to eliminate duplicates Z: 10 23.941 2.317 0.527 0.890 1.000 0.889 CB 1.622 10 residues pruned to eliminate duplicates Z: 45 49.682 2.332 0.784 0.629 0.932 0.636 CB 1.712 45 residues pruned to eliminate duplicates Z: 12 33.984 2.402 0.803 0.899 1.000 0.909 CB 1.691 12 residues pruned to eliminate duplicates Z: 10 24.216 2.062 0.883 0.668 1.000 0.778 CB 1.779 10 residues pruned to eliminate duplicates Z: 40 78.150 2.545 1.161 0.724 0.923 0.718 CB 2.013 40 residues pruned to eliminate duplicates Z: 16 34.062 2.295 0.691 0.907 1.000 0.800 CB 1.611 16 residues pruned to eliminate duplicates Z: 18 40.506 2.468 0.606 0.887 0.941 0.824 CB 1.899 18 residues pruned to eliminate duplicates Z: 80 70.916 2.386 0.836 0.670 0.911 0.696 CB 1.709 80 residues pruned to eliminate duplicates Z: 13 21.575 2.173 0.441 0.857 1.000 0.667 CB 1.465 13 residues pruned to eliminate duplicates Z: 56 80.956 2.479 1.061 0.687 0.945 0.709 CB 1.903 56 residues pruned to eliminate duplicates Z: 12 25.253 2.156 0.662 0.867 1.000 0.818 CB 1.555 12 residues pruned to eliminate duplicates Z: 16 37.805 2.281 0.881 0.902 1.000 0.733 CB 1.623 16 residues pruned to eliminate duplicates Z: 17 46.863 2.258 1.121 0.907 1.000 0.625 CB 1.739 17 residues pruned to eliminate duplicates Z: 59 84.220 2.510 0.912 0.723 0.983 0.879 CB 1.917 60 residues pruned to eliminate duplicates Z: 79 67.042 2.369 0.840 0.651 0.936 0.667 CB 1.617 55 residues pruned to eliminate duplicates Z: 17 27.052 2.347 0.412 0.822 0.938 0.688 CB 1.646 17 residues pruned to eliminate duplicates Z: 10 14.222 1.918 0.823 0.776 0.778 0.667 CB 1.366 10 residues pruned to eliminate duplicates Z: 29 61.677 2.512 0.901 0.748 1.000 0.750 CA 1.955 29 residues pruned to eliminate duplicates Z: 39 53.609 2.362 0.937 0.668 0.895 0.711 CB 1.819 39 residues pruned to eliminate duplicates Z: 12 30.013 2.298 1.067 0.890 0.909 0.818 CB 1.508 12 residues pruned to eliminate duplicates Z: 12 21.391 2.222 0.701 0.844 0.818 0.545 CB 1.553 12 residues pruned to eliminate duplicates Z: 61 77.488 2.455 0.892 0.696 0.967 0.750 CB 1.863 61 residues pruned to eliminate duplicates Z: 16 34.299 2.279 0.746 0.896 1.000 0.733 CB 1.594 16 residues pruned to eliminate duplicates Z: 11 16.474 2.131 0.497 0.787 0.800 0.800 CB 1.585 11 residues pruned to eliminate duplicates Z: 17 30.791 2.223 0.530 0.859 1.000 0.875 CB 1.666 17 residues pruned to eliminate duplicates Z: 11 29.374 2.239 1.100 0.827 1.000 0.700 CB 1.488 11 residues pruned to eliminate duplicates Z: 14 26.643 2.326 0.777 0.644 0.846 0.769 CA 1.847 14 residues pruned to eliminate duplicates Z: 16 49.465 2.560 0.908 0.906 1.000 0.867 CB 1.860 16 residues pruned to eliminate duplicates Z: 9 20.593 2.219 0.329 0.887 1.000 0.875 CB 1.780 9 residues pruned to eliminate duplicates Z: 18 35.893 2.177 0.933 0.797 0.882 0.765 CA 1.808 18 residues pruned to eliminate duplicates Z: 16 41.749 2.254 1.073 0.884 0.933 0.533 CA 1.786 16 residues pruned to eliminate duplicates Z: 18 46.742 2.427 0.782 0.912 1.000 0.941 CB 1.857 18 residues pruned to eliminate duplicates Z: 32 41.569 2.226 0.651 0.707 1.000 0.806 CB 1.683 32 residues pruned to eliminate duplicates Z: 29 34.913 2.312 0.976 0.610 0.893 0.607 CB 1.457 29 residues pruned to eliminate duplicates Z: 18 25.377 2.141 0.285 0.882 1.000 0.824 CB 1.619 18 residues pruned to eliminate duplicates Z: 82 66.693 2.311 0.783 0.628 0.951 0.716 CB 1.677 19 residues pruned to eliminate duplicates Z: 19 27.589 2.251 0.935 0.677 0.833 0.667 CB 1.522 19 residues pruned to eliminate duplicates Z: 62 69.031 2.405 0.892 0.677 0.934 0.639 CB 1.767 62 residues pruned to eliminate duplicates Z: 41 72.877 2.513 0.946 0.691 0.975 0.750 CA 2.028 41 residues pruned to eliminate duplicates Z: 46 49.833 2.232 0.691 0.681 0.956 0.822 CB 1.745 46 residues pruned to eliminate duplicates Z: 42 69.741 2.457 1.001 0.695 1.000 0.732 CB 1.854 42 residues pruned to eliminate duplicates Z: 15 53.046 2.617 0.992 0.902 0.929 0.714 CB 2.089 15 residues pruned to eliminate duplicates Z: 11 22.564 2.237 0.661 0.901 1.000 0.900 CB 1.371 11 residues pruned to eliminate duplicates Z: 21 29.715 2.194 0.494 0.807 0.950 0.800 CB 1.633 21 residues pruned to eliminate duplicates Z: 16 33.650 2.252 0.610 0.947 1.000 1.000 CB 1.655 16 residues pruned to eliminate duplicates Z: 62 71.114 2.400 0.849 0.697 0.951 0.754 CB 1.803 62 residues pruned to eliminate duplicates Z: 49 68.785 2.478 0.937 0.666 0.938 0.750 CB 1.892 49 residues pruned to eliminate duplicates Z: 15 19.920 2.213 0.623 0.571 0.786 0.714 CA 1.761 15 residues pruned to eliminate duplicates Z: 38 46.404 2.254 0.637 0.719 0.973 0.757 CB 1.742 38 residues pruned to eliminate duplicates Z: 29 34.848 2.302 0.831 0.623 0.893 0.679 CB 1.558 29 residues pruned to eliminate duplicates Z: 16 73.005 2.543 1.456 0.940 1.000 0.400 CB 2.096 16 residues pruned to eliminate duplicates Z: 16 38.644 2.204 0.934 0.956 1.000 0.733 CB 1.608 16 residues pruned to eliminate duplicates Z: 60 69.503 2.389 0.751 0.723 0.966 0.712 CB 1.831 60 residues pruned to eliminate duplicates Z: 80 79.203 2.404 0.852 0.695 0.962 0.734 CB 1.740 80 residues pruned to eliminate duplicates Z: 14 15.972 2.068 0.586 0.834 0.846 0.615 CB 1.196 14 residues pruned to eliminate duplicates Z: 59 58.677 2.234 0.700 0.675 0.966 0.724 CB 1.789 59 residues pruned to eliminate duplicates Z: 14 28.788 2.361 0.795 0.668 0.923 0.769 CA 1.747 14 residues pruned to eliminate duplicates Z: 9 13.469 2.227 0.552 0.543 0.875 0.375 CA 1.509 9 residues pruned to eliminate duplicates Z: 42 67.154 2.449 1.073 0.649 0.951 0.561 CB 1.889 42 residues pruned to eliminate duplicates Z: 15 14.419 2.268 0.639 0.428 0.857 0.571 CB 1.303 15 residues pruned to eliminate duplicates Z: 71 71.035 2.395 0.897 0.639 0.929 0.700 CB 1.767 71 residues pruned to eliminate duplicates Z: 10 19.753 2.100 0.974 0.507 0.889 0.667 CA 1.774 10 residues pruned to eliminate duplicates Z: 17 34.989 2.466 0.734 0.577 0.938 0.750 CB 2.026 17 residues pruned to eliminate duplicates Z: 15 15.707 2.052 0.535 0.627 0.857 0.714 CB 1.380 15 residues pruned to eliminate duplicates Z: 10 17.835 2.044 0.749 0.875 0.889 0.556 CB 1.360 10 residues pruned to eliminate duplicates Z: 32 39.127 2.265 0.678 0.673 0.903 0.710 CB 1.745 32 residues pruned to eliminate duplicates Z: 6 4.807 1.723 0.611 0.754 1.000 0.600 CB 0.618 Z: 56 58.118 2.255 0.723 0.680 0.964 0.745 CB 1.774 56 residues pruned to eliminate duplicates Z: 7 9.101 1.985 0.080 0.762 1.000 0.500 CB 1.373 7 residues pruned to eliminate duplicates Z: 6 2.470 1.720 0.235 0.100 0.800 0.400 N 1.084 Z: 12 16.814 2.284 0.454 0.594 0.818 0.818 CA 1.706 12 residues pruned to eliminate duplicates Z: 25 28.318 2.212 0.687 0.559 0.833 0.583 CB 1.755 25 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 16 47.999 2.518 0.757 0.882 1.000 0.667 CA 2.027 16 residues pruned to eliminate duplicates Z: 80 77.313 2.399 0.830 0.695 0.962 0.747 CB 1.723 80 residues pruned to eliminate duplicates Z: 80 75.060 2.391 0.825 0.692 0.937 0.684 CB 1.732 80 residues pruned to eliminate duplicates Z: 80 76.169 2.398 0.912 0.687 0.937 0.684 CB 1.680 80 residues pruned to eliminate duplicates Z: 80 76.344 2.407 0.819 0.686 0.949 0.709 CB 1.742 80 residues pruned to eliminate duplicates Z: 80 79.344 2.396 0.891 0.688 0.962 0.658 CB 1.724 80 residues pruned to eliminate duplicates Z: 61 74.865 2.379 0.922 0.698 0.983 0.750 CB 1.793 61 residues pruned to eliminate duplicates Z: 44 65.343 2.482 0.936 0.665 0.953 0.674 CB 1.867 44 residues pruned to eliminate duplicates Z: 79 73.982 2.397 0.871 0.698 0.910 0.641 CB 1.713 79 residues pruned to eliminate duplicates Z: 63 70.142 2.388 0.825 0.695 0.984 0.710 CB 1.739 63 residues pruned to eliminate duplicates Z: 80 75.318 2.390 0.870 0.675 0.949 0.696 CB 1.699 36 residues pruned to eliminate duplicates Z: 6 13.448 2.323 0.728 0.442 1.000 0.800 CB 1.591 6 residues pruned to eliminate duplicates Z: 80 78.615 2.406 0.840 0.697 0.962 0.747 CB 1.735 80 residues pruned to eliminate duplicates Z: 61 70.163 2.450 0.916 0.672 0.933 0.667 CB 1.763 61 residues pruned to eliminate duplicates Z: 61 69.299 2.411 0.788 0.708 0.950 0.750 CB 1.808 61 residues pruned to eliminate duplicates Z: 7 7.343 1.624 0.887 0.446 1.000 0.167 CB 1.034 7 residues pruned to eliminate duplicates Z: 80 75.373 2.400 0.850 0.685 0.937 0.709 CB 1.720 80 residues pruned to eliminate duplicates Z: 80 74.945 2.407 0.819 0.694 0.924 0.747 CB 1.745 80 residues pruned to eliminate duplicates Z: 80 76.643 2.402 0.867 0.676 0.949 0.722 CB 1.722 80 residues pruned to eliminate duplicates Z: 61 73.532 2.455 0.957 0.680 0.950 0.683 CB 1.762 61 residues pruned to eliminate duplicates Z: 80 80.884 2.401 0.934 0.686 0.962 0.747 CB 1.717 80 residues pruned to eliminate duplicates Z: 13 23.657 2.103 0.994 0.834 0.833 0.667 CB 1.465 13 residues pruned to eliminate duplicates Z: 80 74.970 2.396 0.855 0.681 0.937 0.684 CB 1.715 80 residues pruned to eliminate duplicates Z: 62 73.308 2.420 0.950 0.682 0.951 0.672 CB 1.769 62 residues pruned to eliminate duplicates Z: 80 64.489 2.360 0.761 0.651 0.924 0.722 CB 1.642 80 residues pruned to eliminate duplicates Z: 60 72.976 2.473 0.985 0.682 0.915 0.661 CB 1.789 60 residues pruned to eliminate duplicates Z: 62 72.716 2.426 0.952 0.675 0.951 0.689 CB 1.760 62 residues pruned to eliminate duplicates Z: 77 75.164 2.400 0.955 0.681 0.921 0.645 CB 1.689 77 residues pruned to eliminate duplicates Z: 79 71.863 2.394 0.848 0.673 0.923 0.692 CB 1.699 79 residues pruned to eliminate duplicates Z: 80 67.693 2.359 0.777 0.655 0.924 0.722 CB 1.702 80 residues pruned to eliminate duplicates Z: 79 76.640 2.420 0.810 0.693 0.949 0.692 CB 1.750 79 residues pruned to eliminate duplicates Z: 80 75.600 2.417 0.798 0.697 0.937 0.747 CB 1.746 80 residues pruned to eliminate duplicates Z: 78 70.678 2.381 0.819 0.652 0.948 0.688 CB 1.702 78 residues pruned to eliminate duplicates Z: 80 81.891 2.417 0.866 0.699 0.962 0.759 CB 1.771 80 residues pruned to eliminate duplicates Z: 79 74.140 2.418 0.775 0.703 0.923 0.769 CB 1.761 79 residues pruned to eliminate duplicates Z: 77 70.000 2.382 0.868 0.667 0.921 0.658 CB 1.679 77 residues pruned to eliminate duplicates Z: 18 33.771 2.253 0.674 0.814 1.000 0.824 CB 1.653 18 residues pruned to eliminate duplicates Z: 79 76.758 2.402 0.828 0.697 0.949 0.782 CB 1.743 79 residues pruned to eliminate duplicates Z: 78 78.308 2.435 0.807 0.704 0.961 0.779 CB 1.752 78 residues pruned to eliminate duplicates Z: 80 73.305 2.407 0.782 0.694 0.924 0.734 CB 1.743 24 residues pruned to eliminate duplicates Z: 16 32.292 2.309 0.531 0.913 1.000 1.000 CB 1.669 16 residues pruned to eliminate duplicates Z: 80 75.840 2.411 0.792 0.698 0.949 0.734 CB 1.736 80 residues pruned to eliminate duplicates Z: 63 63.934 2.359 0.726 0.686 0.952 0.645 CB 1.767 63 residues pruned to eliminate duplicates Z: 64 63.118 2.387 0.737 0.673 0.937 0.698 CB 1.746 64 residues pruned to eliminate duplicates Z: 80 79.937 2.396 0.842 0.694 0.975 0.709 CB 1.750 80 residues pruned to eliminate duplicates Z: 80 77.135 2.410 0.847 0.687 0.937 0.772 CB 1.754 80 residues pruned to eliminate duplicates Z: 78 80.348 2.439 0.891 0.695 0.948 0.779 CB 1.752 78 residues pruned to eliminate duplicates Z: 79 76.389 2.415 0.844 0.687 0.936 0.718 CB 1.747 79 residues pruned to eliminate duplicates Z: 80 76.863 2.412 0.797 0.690 0.962 0.722 CB 1.743 80 residues pruned to eliminate duplicates Z: 80 75.316 2.390 0.851 0.690 0.937 0.658 CB 1.718 80 residues pruned to eliminate duplicates Z: 60 70.976 2.476 0.943 0.670 0.932 0.678 CB 1.762 60 residues pruned to eliminate duplicates Z: 61 68.854 2.457 0.847 0.673 0.933 0.700 CB 1.790 62 residues pruned to eliminate duplicates Z: 13 26.668 2.229 0.789 0.749 0.917 0.750 CB 1.686 13 residues pruned to eliminate duplicates Z: 79 77.979 2.414 0.852 0.702 0.936 0.744 CB 1.755 79 residues pruned to eliminate duplicates Z: 80 74.422 2.399 0.811 0.677 0.949 0.747 CB 1.724 79 residues pruned to eliminate duplicates Z: 13 19.974 2.027 0.861 0.737 0.833 0.583 CB 1.482 13 residues pruned to eliminate duplicates Z: 80 73.501 2.407 0.796 0.680 0.937 0.772 CB 1.731 80 residues pruned to eliminate duplicates Z: 80 79.758 2.395 0.876 0.684 0.962 0.785 CB 1.754 80 residues pruned to eliminate duplicates Z: 78 76.801 2.411 0.911 0.689 0.922 0.740 CB 1.732 78 residues pruned to eliminate duplicates Z: 70 67.405 2.402 0.819 0.646 0.942 0.696 CB 1.721 70 residues pruned to eliminate duplicates Z: 63 65.407 2.403 0.753 0.677 0.952 0.742 CB 1.760 63 residues pruned to eliminate duplicates Z: 62 70.038 2.372 0.793 0.696 0.984 0.770 CB 1.791 62 residues pruned to eliminate duplicates Z: 79 82.336 2.424 0.894 0.709 0.962 0.731 CB 1.747 79 residues pruned to eliminate duplicates Z: 62 73.546 2.446 0.949 0.675 0.934 0.721 CB 1.799 62 residues pruned to eliminate duplicates Z: 18 47.949 2.349 0.981 0.806 1.000 0.882 CA 1.913 18 residues pruned to eliminate duplicates Z: 80 71.676 2.398 0.867 0.666 0.911 0.633 CB 1.696 80 residues pruned to eliminate duplicates Z: 43 66.357 2.454 0.933 0.686 0.976 0.762 CB 1.865 43 residues pruned to eliminate duplicates Z: 19 37.776 2.317 0.934 0.696 1.000 0.778 CB 1.662 19 residues pruned to eliminate duplicates Z: 76 91.930 2.442 1.173 0.670 0.960 0.653 CB 1.781 76 residues pruned to eliminate duplicates Z: 19 25.394 2.324 0.708 0.657 0.833 0.611 CB 1.564 19 residues pruned to eliminate duplicates Z: 56 75.574 2.473 1.008 0.677 0.927 0.709 CB 1.880 56 residues pruned to eliminate duplicates Z: 56 76.905 2.471 1.011 0.676 0.945 0.618 CB 1.878 56 residues pruned to eliminate duplicates Z: 20 36.898 2.331 0.884 0.650 1.000 0.632 CB 1.677 19 residues pruned to eliminate duplicates Z: 13 29.006 2.288 0.861 0.846 1.000 0.667 CB 1.461 13 residues pruned to eliminate duplicates Z: 20 32.108 2.311 0.797 0.627 0.947 0.632 CB 1.661 20 residues pruned to eliminate duplicates Z: 18 39.328 2.451 0.890 0.733 0.941 0.765 CB 1.774 20 residues pruned to eliminate duplicates Z: 13 30.064 2.304 0.659 0.897 1.000 0.917 CB 1.625 13 residues pruned to eliminate duplicates Z: 19 31.838 2.316 0.856 0.697 0.889 0.722 CB 1.641 19 residues pruned to eliminate duplicates Z: 20 33.818 2.291 0.812 0.681 0.947 0.632 CB 1.670 20 residues pruned to eliminate duplicates Z: 19 29.590 2.325 0.790 0.669 0.889 0.722 CB 1.613 19 residues pruned to eliminate duplicates Z: 76 87.522 2.475 0.968 0.671 0.960 0.707 CB 1.845 76 residues pruned to eliminate duplicates Z: 77 85.089 2.482 0.843 0.696 0.934 0.737 CB 1.909 76 residues pruned to eliminate duplicates Z: 19 37.872 2.382 0.798 0.756 0.944 0.722 CB 1.758 19 residues pruned to eliminate duplicates Z: 61 79.341 2.478 0.930 0.689 0.950 0.767 CB 1.897 61 residues pruned to eliminate duplicates Z: 61 76.286 2.481 0.820 0.676 0.967 0.700 CB 1.919 61 residues pruned to eliminate duplicates Z: 61 66.320 2.456 0.792 0.669 0.883 0.650 CB 1.883 61 residues pruned to eliminate duplicates Z: 21 37.684 2.391 0.790 0.725 0.900 0.800 CB 1.786 21 residues pruned to eliminate duplicates Z: 62 78.459 2.446 0.897 0.683 0.951 0.754 CB 1.925 62 residues pruned to eliminate duplicates Z: 17 43.184 2.525 0.903 0.851 0.938 0.812 CB 1.774 17 residues pruned to eliminate duplicates Z: 21 40.813 2.369 0.912 0.720 0.950 0.750 CB 1.739 21 residues pruned to eliminate duplicates Z: 61 75.587 2.445 0.909 0.668 0.950 0.667 CB 1.884 58 residues pruned to eliminate duplicates Z: 16 57.707 2.548 1.295 0.893 1.000 0.867 CB 1.829 16 residues pruned to eliminate duplicates Z: 21 41.767 2.361 0.943 0.723 0.950 0.650 CB 1.752 21 residues pruned to eliminate duplicates Z: 60 83.833 2.492 0.998 0.703 0.966 0.797 CB 1.886 63 residues pruned to eliminate duplicates Z: 17 52.663 2.533 1.213 0.846 0.938 0.812 CB 1.862 17 residues pruned to eliminate duplicates Z: 61 78.975 2.478 0.950 0.690 0.950 0.717 CB 1.867 61 residues pruned to eliminate duplicates Z: 60 83.108 2.511 0.898 0.706 0.983 0.712 CB 1.915 60 residues pruned to eliminate duplicates Z: 17 49.124 2.499 1.064 0.885 0.938 0.750 CB 1.833 17 residues pruned to eliminate duplicates Z: 62 76.450 2.445 0.914 0.692 0.934 0.738 CB 1.879 60 residues pruned to eliminate duplicates Z: 13 37.263 2.345 1.180 0.720 1.000 0.833 CB 1.724 13 residues pruned to eliminate duplicates Z: 60 81.311 2.494 0.980 0.698 0.932 0.729 CB 1.920 60 residues pruned to eliminate duplicates Z: 41 73.861 2.524 0.900 0.705 1.000 0.800 CB 2.021 42 residues pruned to eliminate duplicates Z: 12 28.256 2.179 1.019 0.866 1.000 0.818 CB 1.418 12 residues pruned to eliminate duplicates Z: 43 71.529 2.463 1.080 0.687 0.952 0.762 CB 1.905 43 residues pruned to eliminate duplicates Z: 42 72.417 2.492 1.001 0.680 0.976 0.732 CB 1.971 42 residues pruned to eliminate duplicates Z: 42 69.028 2.475 0.926 0.668 1.000 0.707 CB 1.937 42 residues pruned to eliminate duplicates Z: 60 83.153 2.492 0.958 0.680 0.966 0.729 CB 1.945 60 residues pruned to eliminate duplicates Z: 40 78.443 2.548 1.074 0.717 0.949 0.795 CB 2.059 40 residues pruned to eliminate duplicates Z: 62 77.256 2.478 0.961 0.660 0.934 0.672 CB 1.878 62 residues pruned to eliminate duplicates Z: 60 68.127 2.453 0.826 0.678 0.915 0.644 CB 1.837 51 residues pruned to eliminate duplicates Z: 19 44.236 2.377 0.775 0.768 1.000 0.778 CA 1.949 19 residues pruned to eliminate duplicates Z: 42 66.690 2.480 1.005 0.674 0.927 0.732 CB 1.925 42 residues pruned to eliminate duplicates Z: 47 61.530 2.401 0.980 0.623 0.891 0.630 CB 1.906 47 residues pruned to eliminate duplicates Z: 76 84.377 2.447 1.012 0.693 0.907 0.680 CB 1.829 27 residues pruned to eliminate duplicates Z: 18 53.560 2.376 1.083 0.899 1.000 0.765 CA 1.876 18 residues pruned to eliminate duplicates Z: 78 92.490 2.472 1.029 0.690 0.948 0.688 CB 1.862 76 residues pruned to eliminate duplicates Z: 16 58.282 2.548 1.012 0.893 1.000 0.800 CA 2.107 16 residues pruned to eliminate duplicates Z: 61 79.406 2.468 1.015 0.685 0.917 0.733 CB 1.897 61 residues pruned to eliminate duplicates Z: 42 69.236 2.489 1.020 0.666 0.927 0.707 CA 1.989 42 residues pruned to eliminate duplicates Z: 40 77.500 2.540 1.020 0.711 0.974 0.795 CB 2.049 40 residues pruned to eliminate duplicates Z: 59 52.940 2.390 0.877 0.584 0.845 0.621 CB 1.692 59 residues pruned to eliminate duplicates Z: 58 79.187 2.442 1.042 0.683 0.965 0.684 CB 1.842 58 residues pruned to eliminate duplicates Z: 40 76.930 2.545 1.086 0.704 0.949 0.846 CB 2.031 40 residues pruned to eliminate duplicates Z: 61 83.956 2.464 1.021 0.687 0.967 0.733 CB 1.896 61 residues pruned to eliminate duplicates Z: 42 73.709 2.453 1.052 0.688 0.976 0.659 CA 1.974 42 residues pruned to eliminate duplicates Z: 42 77.523 2.528 1.106 0.687 0.951 0.707 CB 2.015 42 residues pruned to eliminate duplicates Z: 62 86.406 2.461 1.080 0.689 0.967 0.770 CB 1.879 62 residues pruned to eliminate duplicates Z: 58 71.814 2.481 0.838 0.689 0.947 0.649 CB 1.853 58 residues pruned to eliminate duplicates Z: 61 89.619 2.470 1.137 0.677 0.983 0.733 CB 1.894 61 residues pruned to eliminate duplicates Z: 29 58.489 2.480 1.040 0.644 0.929 0.714 CB 2.058 29 residues pruned to eliminate duplicates Z: 60 86.436 2.483 1.073 0.713 0.932 0.712 CB 1.934 60 residues pruned to eliminate duplicates Z: 78 91.187 2.465 1.030 0.694 0.935 0.662 CB 1.860 78 residues pruned to eliminate duplicates Z: 41 72.570 2.524 1.099 0.701 0.925 0.725 CB 1.950 41 residues pruned to eliminate duplicates Z: 48 68.932 2.356 0.987 0.651 0.979 0.660 CB 1.908 48 residues pruned to eliminate duplicates Z: 42 76.967 2.496 1.131 0.687 0.976 0.732 CB 1.950 42 residues pruned to eliminate duplicates 152 residues left after pruning, divided into chains as follows: A: 77 B: 17 C: 58 CC for partial structure against native data = 43.68 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.645, Connect. = 0.801 for dens.mod. cycle 1 = 0.300, Contrast = 0.719, Connect. = 0.820 for dens.mod. cycle 2 = 0.300, Contrast = 0.897, Connect. = 0.850 for dens.mod. cycle 3 = 0.300, Contrast = 0.904, Connect. = 0.851 for dens.mod. cycle 4 = 0.300, Contrast = 0.916, Connect. = 0.853 for dens.mod. cycle 5 = 0.300, Contrast = 0.916, Connect. = 0.853 for dens.mod. cycle 6 = 0.300, Contrast = 0.920, Connect. = 0.854 for dens.mod. cycle 7 = 0.300, Contrast = 0.920, Connect. = 0.855 for dens.mod. cycle 8 = 0.300, Contrast = 0.920, Connect. = 0.855 for dens.mod. cycle 9 TimeTaking 117.33