++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 01:27:37 on 15 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: ./2ouw-1.8-parrot-noncs/2ouw-1.8-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2ouw-1.8-parrot-noncs/2ouw-1.8-parrot-noncs.ins Phases from ./2ouw-1.8-parrot-noncs/2ouw-1.8-parrot-noncs.phi Native data from ./2ouw-1.8-parrot-noncs/2ouw-1.8-parrot-noncs.hkl Listing output to ./2ouw-1.8-parrot-noncs/2ouw-1.8-parrot-noncs.lst Phases output to ./2ouw-1.8-parrot-noncs/2ouw-1.8-parrot-noncs.phs Poly-Ala trace output to ./2ouw-1.8-parrot-noncs/2ouw-1.8-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 63 2 2 Allowed origin shift code: 10 24441 Reflections read from file ./2ouw-1.8-parrot-noncs/2ouw-1.8-parrot-noncs.phi 24441 Reflections read from file ./2ouw-1.8-parrot-noncs/2ouw-1.8-parrot-noncs.hkl 24441 Unique data, highest resolution = 1.800 Angstroms Anisotropic scaling: intensities multiplied by 0.000184h^2 +0.000184k^2 -0.000019l^2 +0.000000kl +0.000000hl +0.000184hk 7 Reflections with d > 2.000 and 0 in range 2.000 > d > 1.800 added Density sharpening factor set to 1.05 Fourier grid = 128 x 128 x 91 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|> = 0.569 ** -f missing ?? ** = 0.300, Contrast = 0.278, Connect. = 0.710 for dens.mod. cycle 1 = 0.300, Contrast = 0.371, Connect. = 0.734 for dens.mod. cycle 2 = 0.300, Contrast = 0.491, Connect. = 0.771 for dens.mod. cycle 3 = 0.300, Contrast = 0.531, Connect. = 0.779 for dens.mod. cycle 4 = 0.300, Contrast = 0.552, Connect. = 0.784 for dens.mod. cycle 5 = 0.300, Contrast = 0.566, Connect. = 0.788 for dens.mod. cycle 6 = 0.300, Contrast = 0.576, Connect. = 0.790 for dens.mod. cycle 7 = 0.300, Contrast = 0.584, Connect. = 0.792 for dens.mod. cycle 8 = 0.300, Contrast = 0.589, Connect. = 0.793 for dens.mod. cycle 9 = 0.300, Contrast = 0.594, Connect. = 0.795 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1038 peaks > 0.5 sigma used to seed fragment search Space for about 269 unique residues taking solvent into account 263 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 24 47.422 2.192 1.165 0.953 1.000 0.826 CB 1.434 B: 26 41.604 2.094 1.250 0.918 0.960 0.680 CB 1.298 24 residues pruned to eliminate duplicates C: 26 49.770 2.182 1.256 0.948 1.000 0.480 CB 1.396 D: 14 21.916 2.028 0.510 0.933 1.000 0.923 CB 1.385 E: 25 40.656 2.175 0.922 0.937 1.000 0.458 CB 1.382 25 residues pruned to eliminate duplicates F: 24 47.968 2.151 1.435 0.936 1.000 0.565 CB 1.330 25 residues pruned to eliminate duplicates G: 25 30.859 2.155 0.866 0.904 0.833 0.375 CB 1.339 25 residues pruned to eliminate duplicates H: 24 44.621 2.230 1.068 0.953 0.957 0.739 CB 1.452 24 residues pruned to eliminate duplicates I: 16 28.060 2.048 0.441 0.935 1.000 0.933 CB 1.712 J: 26 34.005 2.099 0.571 0.938 1.000 0.960 CB 1.434 26 residues pruned to eliminate duplicates K: 15 27.521 2.072 1.101 0.939 0.929 0.786 CB 1.265 L: 15 25.470 2.030 0.367 0.930 1.000 0.929 CA 1.715 15 residues pruned to eliminate duplicates M: 15 28.740 2.052 1.027 0.932 1.000 0.786 CB 1.289 15 residues pruned to eliminate duplicates N: 26 39.792 2.152 0.981 0.947 0.960 0.800 CB 1.344 26 residues pruned to eliminate duplicates O: 50 48.217 2.060 0.985 0.830 0.939 0.571 CB 1.349 26 residues pruned to eliminate duplicates P: 24 47.098 2.225 1.171 0.963 0.957 0.478 CB 1.453 24 residues pruned to eliminate duplicates Q: 26 42.968 2.166 0.906 0.947 1.000 0.600 CB 1.438 26 residues pruned to eliminate duplicates R: 24 44.770 2.210 0.988 0.953 1.000 0.913 CB 1.462 24 residues pruned to eliminate duplicates S: 16 31.894 2.056 0.640 0.927 1.000 1.000 CB 1.711 16 residues pruned to eliminate duplicates T: 15 22.767 2.008 0.653 0.925 0.929 0.643 CB 1.386 15 residues pruned to eliminate duplicates U: 14 28.993 2.099 0.892 0.941 1.000 1.000 CB 1.405 15 residues pruned to eliminate duplicates V: 14 27.199 2.105 0.864 0.938 1.000 0.769 CB 1.337 14 residues pruned to eliminate duplicates W: 23 41.904 2.176 1.049 0.953 1.000 0.773 CB 1.379 23 residues pruned to eliminate duplicates X: 16 21.793 1.969 0.620 0.878 1.000 0.800 CB 1.280 Y: 59 34.667 1.968 0.651 0.720 0.914 0.638 CB 1.257 29 residues pruned to eliminate duplicates Z: 25 46.182 2.163 1.294 0.947 1.000 0.750 CB 1.313 25 residues pruned to eliminate duplicates Z: 10 8.888 2.079 0.320 0.795 0.778 0.667 CB 1.072 10 residues pruned to eliminate duplicates Z: 26 25.675 2.028 0.447 0.908 0.960 0.920 CB 1.295 26 residues pruned to eliminate duplicates Z: 26 43.576 2.135 0.970 0.948 1.000 0.840 CB 1.431 26 residues pruned to eliminate duplicates Z: 26 33.655 2.113 0.577 0.938 1.000 0.880 CB 1.405 26 residues pruned to eliminate duplicates Z: 24 46.282 2.210 1.117 0.949 0.957 0.696 CB 1.488 24 residues pruned to eliminate duplicates Z: 16 22.461 1.992 0.622 0.912 0.933 0.800 CB 1.362 Z: 24 49.508 2.167 1.336 0.953 1.000 0.391 CB 1.404 24 residues pruned to eliminate duplicates Z: 25 40.198 2.203 0.730 0.952 1.000 0.917 CB 1.483 25 residues pruned to eliminate duplicates Z: 16 28.027 2.007 0.773 0.878 1.000 0.800 CB 1.475 16 residues pruned to eliminate duplicates Z: 15 15.352 1.857 0.376 0.905 1.000 0.929 CB 1.143 15 residues pruned to eliminate duplicates Z: 25 43.385 2.194 0.942 0.945 1.000 0.583 CB 1.438 25 residues pruned to eliminate duplicates Z: 24 48.106 2.178 1.253 0.946 1.000 0.522 CB 1.414 24 residues pruned to eliminate duplicates Z: 26 46.138 2.173 0.893 0.954 1.000 0.840 CB 1.543 26 residues pruned to eliminate duplicates Z: 104 59.286 2.011 0.951 0.733 0.942 0.612 CB 1.282 119 residues pruned to eliminate duplicates Z: 16 23.899 2.002 0.282 0.916 1.000 0.867 CB 1.698 16 residues pruned to eliminate duplicates Z: 26 14.915 1.814 0.306 0.820 0.880 0.720 CB 1.084 Z: 15 21.595 2.020 0.468 0.927 0.929 0.786 CB 1.468 15 residues pruned to eliminate duplicates Z: 26 38.958 2.086 1.274 0.915 0.920 0.560 CB 1.262 26 residues pruned to eliminate duplicates Z: 10 20.210 1.872 0.917 0.819 0.889 0.889 CB 1.601 10 residues pruned to eliminate duplicates Z: 9 8.956 1.899 0.149 0.900 0.875 0.875 CB 1.185 9 residues pruned to eliminate duplicates Z: 17 23.515 1.879 0.624 0.886 1.000 0.812 CA 1.391 17 residues pruned to eliminate duplicates Z: 25 45.331 2.125 1.136 0.937 1.000 0.625 CB 1.419 Z: 34 42.559 2.174 1.031 0.769 0.909 0.636 CB 1.454 34 residues pruned to eliminate duplicates Z: 24 44.901 2.209 1.119 0.944 0.957 0.435 CB 1.448 24 residues pruned to eliminate duplicates Z: 60 39.734 2.004 0.703 0.710 0.932 0.610 CB 1.344 60 residues pruned to eliminate duplicates Z: 26 41.146 2.165 1.093 0.948 0.920 0.520 CB 1.363 26 residues pruned to eliminate duplicates Z: 28 45.790 2.052 1.372 0.943 1.000 0.704 CB 1.254 28 residues pruned to eliminate duplicates Z: 16 18.684 1.890 0.393 0.924 1.000 0.733 CB 1.286 16 residues pruned to eliminate duplicates Z: 24 46.805 2.235 1.063 0.961 0.957 0.870 CB 1.515 24 residues pruned to eliminate duplicates Z: 16 21.436 1.953 0.258 0.907 1.000 0.867 CB 1.601 16 residues pruned to eliminate duplicates Z: 36 43.458 2.115 0.998 0.801 0.943 0.571 CB 1.417 36 residues pruned to eliminate duplicates Z: 36 24.413 1.858 0.685 0.684 0.943 0.657 CB 1.181 36 residues pruned to eliminate duplicates Z: 16 31.704 2.056 0.686 0.936 1.000 1.000 CB 1.643 16 residues pruned to eliminate duplicates Z: 24 36.515 2.132 0.738 0.940 1.000 0.826 CB 1.428 49 residues pruned to eliminate duplicates Z: 13 18.359 2.043 0.557 0.829 0.917 0.583 CB 1.368 Z: 16 20.105 1.943 0.471 0.918 0.933 0.867 CB 1.372 16 residues pruned to eliminate duplicates Z: 15 17.486 1.965 0.378 0.917 0.929 0.786 CB 1.311 15 residues pruned to eliminate duplicates Z: 23 32.859 2.129 0.701 0.953 0.955 0.955 CB 1.395 36 residues pruned to eliminate duplicates Z: 14 25.330 2.056 0.681 0.933 1.000 0.846 CB 1.418 14 residues pruned to eliminate duplicates Z: 16 24.099 1.939 0.515 0.899 1.000 0.800 CB 1.514 16 residues pruned to eliminate duplicates Z: 15 26.745 2.060 1.048 0.917 0.929 0.857 CB 1.288 14 residues pruned to eliminate duplicates Z: 16 18.432 1.920 0.380 0.921 0.933 0.867 CB 1.355 16 residues pruned to eliminate duplicates Z: 24 33.502 2.119 0.597 0.939 1.000 0.913 CB 1.435 24 residues pruned to eliminate duplicates Z: 34 41.980 2.172 0.973 0.787 0.939 0.636 CB 1.410 34 residues pruned to eliminate duplicates Z: 16 20.872 1.887 0.466 0.897 1.000 0.867 CB 1.394 16 residues pruned to eliminate duplicates Z: 26 36.042 2.131 0.625 0.951 1.000 1.000 CB 1.435 26 residues pruned to eliminate duplicates Z: 25 32.430 2.121 0.459 0.944 1.000 0.958 CB 1.481 25 residues pruned to eliminate duplicates Z: 14 30.465 2.119 1.040 0.943 1.000 0.846 CB 1.355 15 residues pruned to eliminate duplicates Z: 16 25.085 1.925 1.015 0.900 0.867 0.667 CB 1.376 16 residues pruned to eliminate duplicates Z: 10 14.600 1.804 0.484 0.867 1.000 0.667 CA 1.330 10 residues pruned to eliminate duplicates Z: 34 40.616 2.081 1.060 0.817 0.939 0.515 CB 1.333 34 residues pruned to eliminate duplicates Z: 58 36.096 1.967 0.626 0.747 0.930 0.667 CB 1.290 58 residues pruned to eliminate duplicates Z: 26 42.818 2.105 1.130 0.919 0.960 0.800 CB 1.402 26 residues pruned to eliminate duplicates Z: 11 15.871 1.973 0.434 0.856 1.000 0.800 CB 1.308 11 residues pruned to eliminate duplicates Z: 15 21.275 2.023 0.481 0.905 1.000 0.857 CB 1.352 15 residues pruned to eliminate duplicates Z: 16 23.033 1.967 0.744 0.911 0.933 0.667 CB 1.317 16 residues pruned to eliminate duplicates Z: 16 26.717 2.004 0.462 0.920 1.000 0.933 CB 1.658 16 residues pruned to eliminate duplicates Z: 27 36.114 2.063 0.888 0.864 0.923 0.692 CB 1.445 27 residues pruned to eliminate duplicates Z: 15 17.554 1.978 0.324 0.911 0.929 0.929 CB 1.367 15 residues pruned to eliminate duplicates Z: 16 15.471 1.826 0.560 0.900 1.000 0.867 CB 1.001 16 residues pruned to eliminate duplicates Z: 15 20.017 1.981 0.374 0.921 1.000 0.857 CB 1.383 15 residues pruned to eliminate duplicates Z: 10 9.875 1.781 0.257 0.879 1.000 0.667 CB 1.065 10 residues pruned to eliminate duplicates Z: 11 15.533 1.953 0.764 0.756 0.900 0.500 CB 1.261 11 residues pruned to eliminate duplicates Z: 26 34.000 2.094 0.783 0.820 0.960 0.640 CB 1.437 26 residues pruned to eliminate duplicates Z: 26 34.250 2.095 0.929 0.899 0.920 0.800 CB 1.317 26 residues pruned to eliminate duplicates Z: 15 30.873 2.041 0.971 0.949 1.000 0.786 CB 1.415 14 residues pruned to eliminate duplicates Z: 15 19.685 1.870 0.667 0.903 1.000 0.571 CB 1.203 15 residues pruned to eliminate duplicates Z: 16 12.854 1.819 0.346 0.897 0.933 0.867 CB 1.040 16 residues pruned to eliminate duplicates Z: 14 29.017 2.012 0.889 0.938 1.000 0.769 CB 1.472 14 residues pruned to eliminate duplicates Z: 27 42.847 2.123 0.959 0.935 1.000 0.808 CB 1.408 27 residues pruned to eliminate duplicates Z: 17 17.711 1.794 0.507 0.829 0.938 0.812 CB 1.314 17 residues pruned to eliminate duplicates Z: 26 46.150 2.160 1.103 0.955 0.960 0.880 CB 1.455 26 residues pruned to eliminate duplicates Z: 15 17.820 1.885 0.581 0.932 1.000 0.929 CB 1.116 15 residues pruned to eliminate duplicates Z: 14 21.195 1.927 1.020 0.872 0.846 0.538 CB 1.300 14 residues pruned to eliminate duplicates Z: 19 35.015 2.047 1.399 0.950 1.000 0.278 CB 1.159 Z: 67 55.705 2.060 1.144 0.804 0.955 0.545 CB 1.247 66 residues pruned to eliminate duplicates Z: 15 19.194 1.966 0.668 0.899 0.929 0.286 CB 1.204 15 residues pruned to eliminate duplicates Z: 15 21.548 1.921 1.029 0.936 1.000 0.714 CB 1.029 15 residues pruned to eliminate duplicates Z: 11 13.461 1.838 0.450 0.890 0.900 0.800 CB 1.277 11 residues pruned to eliminate duplicates Z: 16 31.775 2.038 0.686 0.918 1.000 0.933 CB 1.684 16 residues pruned to eliminate duplicates Z: 35 31.634 2.051 1.068 0.791 0.853 0.382 CB 1.162 35 residues pruned to eliminate duplicates Z: 25 34.399 2.087 0.729 0.963 1.000 0.958 CB 1.330 25 residues pruned to eliminate duplicates Z: 60 35.518 1.979 0.642 0.690 0.898 0.644 CB 1.331 60 residues pruned to eliminate duplicates Z: 16 24.886 1.968 0.856 0.932 0.933 0.800 CB 1.316 16 residues pruned to eliminate duplicates Z: 16 22.740 1.939 0.779 0.928 1.000 0.800 CB 1.192 16 residues pruned to eliminate duplicates Z: 26 28.868 2.040 0.610 0.923 1.000 0.920 CB 1.235 26 residues pruned to eliminate duplicates Z: 26 21.232 1.862 0.671 0.828 0.920 0.680 CB 1.117 26 residues pruned to eliminate duplicates Z: 16 23.350 1.976 0.797 0.937 0.933 0.867 CB 1.266 16 residues pruned to eliminate duplicates Z: 25 40.308 2.210 0.886 0.941 0.958 0.833 CB 1.429 25 residues pruned to eliminate duplicates Z: 15 20.453 1.959 0.576 0.924 0.929 0.714 CB 1.339 15 residues pruned to eliminate duplicates Z: 14 19.669 2.014 0.742 0.900 0.923 0.846 CB 1.203 14 residues pruned to eliminate duplicates Z: 15 29.844 2.075 1.045 0.945 1.000 0.857 CB 1.301 16 residues pruned to eliminate duplicates Z: 17 18.986 1.875 0.375 0.877 1.000 0.812 CB 1.338 17 residues pruned to eliminate duplicates Z: 15 21.073 2.004 0.649 0.913 0.929 0.857 CB 1.299 15 residues pruned to eliminate duplicates Z: 15 25.217 1.980 0.780 0.914 1.000 0.571 CB 1.352 15 residues pruned to eliminate duplicates Z: 46 41.023 2.046 0.902 0.819 0.889 0.444 CB 1.341 46 residues pruned to eliminate duplicates Z: 26 38.216 2.069 1.038 0.929 0.960 0.640 CB 1.321 26 residues pruned to eliminate duplicates Z: 57 39.721 2.008 0.702 0.725 0.929 0.679 CB 1.365 57 residues pruned to eliminate duplicates Z: 16 29.586 2.017 0.726 0.906 1.000 0.800 CB 1.560 16 residues pruned to eliminate duplicates Z: 15 18.483 1.897 0.639 0.933 1.000 0.357 CB 1.109 15 residues pruned to eliminate duplicates Z: 16 26.606 1.880 0.917 0.938 1.000 0.867 CB 1.325 16 residues pruned to eliminate duplicates Z: 16 14.058 1.838 0.386 0.913 1.000 0.800 CB 1.008 16 residues pruned to eliminate duplicates Z: 25 41.826 2.209 0.853 0.942 1.000 0.958 CB 1.446 25 residues pruned to eliminate duplicates Z: 16 22.649 2.025 0.225 0.910 1.000 1.000 CA 1.672 16 residues pruned to eliminate duplicates Z: 22 15.824 1.649 0.954 0.640 0.857 0.381 CB 1.097 18 residues pruned to eliminate duplicates Z: 14 28.799 2.120 0.839 0.945 1.000 1.000 CB 1.418 14 residues pruned to eliminate duplicates Z: 25 36.452 2.023 0.875 0.890 1.000 0.750 CB 1.411 19 residues pruned to eliminate duplicates Z: 16 20.903 1.890 0.930 0.940 0.933 0.933 CB 1.101 16 residues pruned to eliminate duplicates Z: 26 33.704 2.070 0.639 0.939 1.000 0.960 CB 1.381 26 residues pruned to eliminate duplicates Z: 9 8.093 1.655 0.231 0.912 1.000 0.875 CB 0.995 Z: 16 28.753 2.039 0.608 0.915 1.000 0.800 CB 1.600 16 residues pruned to eliminate duplicates Z: 25 30.243 2.098 0.411 0.954 1.000 0.917 CB 1.435 25 residues pruned to eliminate duplicates Z: 34 37.636 2.060 1.043 0.793 0.970 0.364 CB 1.242 34 residues pruned to eliminate duplicates Z: 24 39.125 2.207 0.888 0.941 0.957 0.652 CB 1.420 24 residues pruned to eliminate duplicates Z: 24 29.134 2.048 0.541 0.920 1.000 0.957 CB 1.355 24 residues pruned to eliminate duplicates Z: 25 25.275 1.870 0.990 0.844 0.917 0.583 CB 1.125 25 residues pruned to eliminate duplicates Z: 26 35.595 2.109 0.583 0.941 1.000 0.960 CB 1.479 26 residues pruned to eliminate duplicates Z: 16 16.638 1.872 0.716 0.923 0.933 0.933 CB 1.007 16 residues pruned to eliminate duplicates Z: 15 15.574 1.809 0.579 0.915 0.929 0.857 CB 1.109 15 residues pruned to eliminate duplicates Z: 26 26.614 1.855 0.967 0.837 0.920 0.560 CB 1.186 26 residues pruned to eliminate duplicates Z: 15 18.299 1.868 0.560 0.927 1.000 0.786 CB 1.176 15 residues pruned to eliminate duplicates Z: 15 21.695 1.998 0.710 0.890 0.929 0.786 CB 1.315 15 residues pruned to eliminate duplicates Z: 26 37.626 2.112 0.678 0.949 1.000 1.000 CB 1.465 26 residues pruned to eliminate duplicates Z: 15 22.658 2.057 0.322 0.933 0.929 0.929 CB 1.674 15 residues pruned to eliminate duplicates Z: 23 25.086 1.956 1.096 0.899 0.909 0.273 CB 1.025 23 residues pruned to eliminate duplicates Z: 7 6.684 1.620 0.617 0.673 1.000 0.500 CA 0.888 7 residues pruned to eliminate duplicates Z: 16 22.626 1.933 0.748 0.899 1.000 0.800 CB 1.236 16 residues pruned to eliminate duplicates Z: 16 26.566 1.972 0.957 0.943 0.933 0.733 CB 1.319 16 residues pruned to eliminate duplicates Z: 10 9.824 1.604 0.853 0.908 1.000 0.556 CB 0.783 9 residues pruned to eliminate duplicates Z: 7 5.011 1.765 0.439 0.861 0.667 0.667 CB 0.888 7 residues pruned to eliminate duplicates Z: 7 10.507 1.788 0.877 0.815 0.833 0.500 CB 1.167 7 residues pruned to eliminate duplicates Z: 6 8.574 1.754 0.960 0.749 0.800 0.800 CB 1.116 6 residues pruned to eliminate duplicates Z: 6 6.248 1.783 0.739 0.844 0.800 0.400 CB 0.838 6 residues pruned to eliminate duplicates Z: 23 28.929 2.057 0.580 0.947 1.000 0.955 CB 1.312 23 residues pruned to eliminate duplicates Z: 9 7.774 1.618 1.085 0.901 0.875 0.500 CB 0.665 9 residues pruned to eliminate duplicates Z: 6 3.246 1.475 0.297 0.342 0.800 0.400 CB 1.125 Z: 10 10.422 1.782 0.386 0.768 0.889 0.556 CB 1.248 10 residues pruned to eliminate duplicates Z: 8 7.214 1.610 0.373 0.863 1.000 0.714 CB 0.906 8 residues pruned to eliminate duplicates Z: 16 22.864 1.955 1.095 0.907 1.000 0.267 CB 1.024 16 residues pruned to eliminate duplicates Z: 15 20.846 2.013 0.433 0.909 0.929 0.857 CB 1.477 15 residues pruned to eliminate duplicates Z: 15 22.028 1.885 0.827 0.915 0.929 0.714 CB 1.302 15 residues pruned to eliminate duplicates Z: 17 18.740 1.804 0.930 0.932 0.938 0.750 CB 1.002 17 residues pruned to eliminate duplicates Z: 29 33.685 2.067 0.725 0.739 0.964 0.750 CB 1.494 29 residues pruned to eliminate duplicates Z: 16 14.329 1.769 0.304 0.926 1.000 0.867 CB 1.125 16 residues pruned to eliminate duplicates Z: 79 45.515 1.954 0.846 0.696 0.962 0.641 CB 1.242 79 residues pruned to eliminate duplicates Z: 23 38.293 2.123 0.875 0.945 1.000 0.864 CB 1.420 23 residues pruned to eliminate duplicates Z: 16 22.362 1.938 0.797 0.888 0.933 0.667 CB 1.280 16 residues pruned to eliminate duplicates Z: 11 12.894 2.019 0.646 0.768 0.700 0.500 CB 1.382 11 residues pruned to eliminate duplicates Z: 85 54.787 2.040 0.897 0.741 0.929 0.583 CB 1.340 95 residues pruned to eliminate duplicates Z: 26 44.041 2.146 0.987 0.955 0.960 0.840 CB 1.479 26 residues pruned to eliminate duplicates Z: 16 23.511 1.968 0.761 0.930 1.000 0.800 CB 1.225 16 residues pruned to eliminate duplicates Z: 7 9.885 1.670 0.587 0.817 1.000 0.833 CB 1.157 7 residues pruned to eliminate duplicates Z: 14 4.913 1.543 0.230 0.496 0.769 0.692 CB 0.938 Z: 10 12.487 1.823 0.501 0.870 0.889 0.444 CB 1.249 10 residues pruned to eliminate duplicates Z: 16 20.039 1.921 0.915 0.865 0.867 0.467 CB 1.189 16 residues pruned to eliminate duplicates Z: 25 46.835 2.201 1.002 0.949 1.000 0.875 CB 1.498 25 residues pruned to eliminate duplicates Z: 9 7.521 1.896 0.395 0.862 1.000 0.750 CB 0.738 9 residues pruned to eliminate duplicates 6 1.769 1.779 0.315 0.234 0.600 0.200 CB 0.768 ? Z: 8 6.389 1.816 0.417 0.384 0.857 0.571 CB 1.239 8 residues pruned to eliminate duplicates Z: 16 19.238 1.916 0.678 0.918 0.933 0.800 CB 1.167 16 residues pruned to eliminate duplicates Z: 11 9.114 1.506 0.530 0.869 1.000 0.600 CB 0.914 10 residues pruned to eliminate duplicates Z: 15 20.962 1.887 0.892 0.939 1.000 0.929 CB 1.091 15 residues pruned to eliminate duplicates Z: 68 43.806 2.033 0.586 0.791 0.955 0.746 CB 1.346 93 residues pruned to eliminate duplicates Z: 35 21.401 1.885 0.528 0.646 0.971 0.647 CB 1.145 35 residues pruned to eliminate duplicates Z: 49 40.896 2.038 1.034 0.818 0.896 0.354 CB 1.206 49 residues pruned to eliminate duplicates Z: 14 29.615 2.027 1.376 0.938 0.923 0.538 CB 1.285 14 residues pruned to eliminate duplicates Z: 67 53.954 2.058 1.088 0.800 0.939 0.621 CB 1.265 69 residues pruned to eliminate duplicates Z: 7 9.697 1.837 0.468 0.708 1.000 0.667 CA 1.216 Z: 11 6.760 1.742 0.465 0.499 0.800 0.700 CB 1.049 11 residues pruned to eliminate duplicates Z: 38 30.818 1.915 0.775 0.769 0.946 0.703 CB 1.242 38 residues pruned to eliminate duplicates Z: 26 33.635 2.059 1.046 0.733 1.000 0.560 CB 1.295 26 residues pruned to eliminate duplicates Z: 14 7.150 1.611 0.211 0.503 1.000 0.615 CB 1.013 14 residues pruned to eliminate duplicates Z: 26 46.148 2.178 1.027 0.944 1.000 0.680 CB 1.448 26 residues pruned to eliminate duplicates Z: 11 8.996 1.788 0.386 0.518 0.900 0.900 CB 1.254 11 residues pruned to eliminate duplicates Z: 68 53.213 2.003 1.028 0.800 0.940 0.493 CB 1.310 68 residues pruned to eliminate duplicates Z: 6 3.316 1.467 0.271 0.373 1.000 0.600 N 0.911 Z: 13 16.323 1.936 0.340 0.736 1.000 0.917 CB 1.469 19 residues pruned to eliminate duplicates Z: 14 20.491 1.862 0.685 0.915 1.000 0.923 CB 1.281 14 residues pruned to eliminate duplicates Z: 10 7.295 1.618 0.502 0.895 0.778 0.667 CB 0.922 10 residues pruned to eliminate duplicates Z: 27 27.081 1.856 0.864 0.837 1.000 0.654 CB 1.149 26 residues pruned to eliminate duplicates Z: 15 20.634 1.937 0.368 0.931 1.000 0.929 CB 1.454 15 residues pruned to eliminate duplicates Z: 6 8.178 1.556 0.527 0.837 1.000 0.600 CB 1.151 6 residues pruned to eliminate duplicates Z: 10 10.107 1.569 0.539 0.738 1.000 0.667 CB 1.127 8 residues pruned to eliminate duplicates Z: 25 20.214 1.875 0.659 0.863 0.917 0.625 CB 1.062 25 residues pruned to eliminate duplicates Z: 14 17.596 1.853 0.718 0.906 0.923 0.385 CB 1.181 14 residues pruned to eliminate duplicates Z: 17 25.857 2.009 0.572 0.854 0.938 0.688 CB 1.613 17 residues pruned to eliminate duplicates Z: 10 7.572 1.601 0.299 0.861 1.000 0.556 CB 0.892 10 residues pruned to eliminate duplicates Z: 15 23.899 1.935 0.923 0.948 1.000 0.857 CB 1.185 15 residues pruned to eliminate duplicates Z: 15 11.564 1.646 0.488 0.657 0.857 0.571 CB 1.272 14 residues pruned to eliminate duplicates Z: 24 31.811 2.084 0.692 0.879 1.000 0.696 CB 1.364 Z: 15 15.491 1.819 0.629 0.890 0.929 0.500 CB 1.083 15 residues pruned to eliminate duplicates Z: 6 5.887 1.833 0.114 0.798 0.800 0.600 CB 1.242 Z: 8 9.534 1.933 0.225 0.686 0.857 0.571 CB 1.498 6 residues pruned to eliminate duplicates 6 1.272 1.203 0.105 0.189 0.800 0.400 CB 0.776 ? Z: 15 18.381 1.875 0.881 0.868 0.929 0.714 CB 1.097 15 residues pruned to eliminate duplicates Z: 10 8.271 1.559 0.452 0.857 1.000 0.556 CB 0.898 10 residues pruned to eliminate duplicates Z: 11 19.635 1.996 0.782 0.885 1.000 0.600 CB 1.260 11 residues pruned to eliminate duplicates 248 residues left after pruning, divided into chains as follows: A: 159 B: 13 C: 28 D: 7 E: 11 F: 30 CC for partial structure against native data = 37.42 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.372, Connect. = 0.737 for dens.mod. cycle 1 = 0.300, Contrast = 0.429, Connect. = 0.760 for dens.mod. cycle 2 = 0.300, Contrast = 0.520, Connect. = 0.790 for dens.mod. cycle 3 = 0.300, Contrast = 0.528, Connect. = 0.792 for dens.mod. cycle 4 = 0.300, Contrast = 0.540, Connect. = 0.794 for dens.mod. cycle 5 = 0.300, Contrast = 0.545, Connect. = 0.796 for dens.mod. cycle 6 = 0.300, Contrast = 0.552, Connect. = 0.797 for dens.mod. cycle 7 = 0.300, Contrast = 0.555, Connect. = 0.798 for dens.mod. cycle 8 = 0.300, Contrast = 0.560, Connect. = 0.799 for dens.mod. cycle 9 = 0.300, Contrast = 0.562, Connect. = 0.800 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1096 peaks > 0.5 sigma used to seed fragment search Space for about 269 unique residues taking solvent into account 270 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 25 37.924 2.189 0.819 0.945 0.958 0.708 CB 1.404 B: 20 32.717 2.173 0.900 0.947 0.895 0.632 CB 1.404 20 residues pruned to eliminate duplicates C: 35 42.057 2.201 0.852 0.787 0.912 0.294 CB 1.508 D: 10 12.666 1.919 0.388 0.864 0.778 0.556 CB 1.494 E: 14 31.433 2.187 0.799 0.922 1.000 0.538 CB 1.558 F: 27 45.061 2.179 0.991 0.921 0.962 0.385 CB 1.492 27 residues pruned to eliminate duplicates G: 25 57.101 2.318 1.020 0.954 1.000 0.250 CB 1.711 35 residues pruned to eliminate duplicates H: 15 23.308 2.081 0.422 0.924 0.929 0.929 CB 1.591 I: 98 44.796 2.020 0.758 0.646 0.845 0.433 CB 1.322 72 residues pruned to eliminate duplicates J: 11 20.802 2.148 0.789 0.775 0.800 0.600 CB 1.678 K: 24 51.506 2.308 0.920 0.949 0.957 0.609 CB 1.749 25 residues pruned to eliminate duplicates L: 25 49.055 2.276 0.937 0.946 0.958 0.417 CB 1.639 24 residues pruned to eliminate duplicates M: 15 24.084 2.123 0.426 0.896 0.929 0.714 CB 1.641 15 residues pruned to eliminate duplicates N: 24 50.817 2.304 0.972 0.955 0.957 0.522 CB 1.676 24 residues pruned to eliminate duplicates O: 14 17.328 1.945 0.490 0.928 1.000 0.692 CB 1.161 P: 11 19.105 2.115 0.239 0.831 1.000 0.700 CA 1.731 11 residues pruned to eliminate duplicates Q: 10 15.128 2.107 0.527 0.761 0.778 0.333 CA 1.598 10 residues pruned to eliminate duplicates R: 25 54.564 2.276 0.942 0.949 1.000 0.708 CB 1.738 25 residues pruned to eliminate duplicates S: 26 47.080 2.212 0.960 0.917 0.920 0.440 CB 1.666 26 residues pruned to eliminate duplicates T: 25 51.697 2.298 0.928 0.947 1.000 0.375 CB 1.645 25 residues pruned to eliminate duplicates U: 16 21.862 1.982 0.557 0.807 1.000 0.733 CB 1.400 16 residues pruned to eliminate duplicates V: 15 30.709 2.138 0.855 0.946 1.000 0.786 CB 1.432 15 residues pruned to eliminate duplicates W: 14 18.924 1.973 0.686 0.919 1.000 0.692 CB 1.112 14 residues pruned to eliminate duplicates X: 18 25.097 1.954 1.154 0.851 0.941 0.529 CB 1.137 Y: 15 30.368 2.155 0.583 0.903 1.000 0.714 CA 1.695 15 residues pruned to eliminate duplicates Z: 13 27.455 2.138 0.422 0.925 1.000 0.833 CA 1.829 Z: 25 56.874 2.276 1.107 0.926 1.000 0.583 CB 1.697 25 residues pruned to eliminate duplicates Z: 26 50.971 2.252 0.926 0.956 0.960 0.800 CA 1.681 26 residues pruned to eliminate duplicates Z: 23 32.222 2.156 0.657 0.912 1.000 0.864 CB 1.362 41 residues pruned to eliminate duplicates Z: 15 22.712 2.031 0.320 0.918 1.000 0.786 CB 1.597 14 residues pruned to eliminate duplicates Z: 25 27.910 2.155 0.429 0.927 0.958 0.917 CB 1.353 Z: 26 47.094 2.265 0.861 0.943 0.960 0.480 CB 1.614 26 residues pruned to eliminate duplicates Z: 26 51.033 2.247 0.891 0.942 1.000 0.640 CB 1.666 26 residues pruned to eliminate duplicates Z: 16 26.413 1.961 0.866 0.911 1.000 0.733 CB 1.321 16 residues pruned to eliminate duplicates Z: 11 15.366 1.805 0.557 0.859 0.900 0.600 CB 1.413 10 residues pruned to eliminate duplicates Z: 16 21.893 2.017 0.248 0.936 1.000 1.000 CB 1.564 15 residues pruned to eliminate duplicates Z: 26 49.580 2.238 0.831 0.933 1.000 0.720 CB 1.689 26 residues pruned to eliminate duplicates Z: 16 24.139 2.017 0.435 0.894 0.933 0.867 CB 1.655 15 residues pruned to eliminate duplicates Z: 15 21.562 2.048 0.155 0.912 1.000 0.929 CA 1.725 16 residues pruned to eliminate duplicates Z: 24 32.030 2.200 0.538 0.945 0.957 0.870 CB 1.428 49 residues pruned to eliminate duplicates Z: 14 16.028 1.974 0.428 0.907 1.000 0.538 CB 1.121 14 residues pruned to eliminate duplicates Z: 16 26.782 2.017 0.535 0.794 1.000 0.733 CB 1.726 16 residues pruned to eliminate duplicates Z: 15 32.543 2.101 0.977 0.942 1.000 0.786 CB 1.452 16 residues pruned to eliminate duplicates Z: 26 40.874 2.211 0.643 0.936 0.960 0.840 CB 1.632 26 residues pruned to eliminate duplicates Z: 16 26.200 1.971 0.780 0.893 0.933 0.867 CB 1.484 15 residues pruned to eliminate duplicates Z: 15 24.463 2.147 0.427 0.895 0.929 0.857 CA 1.649 15 residues pruned to eliminate duplicates Z: 24 34.359 2.200 0.552 0.950 1.000 0.826 CB 1.448 Z: 16 24.630 2.041 0.405 0.912 0.933 0.667 CB 1.684 16 residues pruned to eliminate duplicates Z: 14 15.416 1.953 0.430 0.940 1.000 0.923 CB 1.063 14 residues pruned to eliminate duplicates Z: 38 43.421 2.158 0.812 0.760 0.919 0.378 CB 1.577 30 residues pruned to eliminate duplicates Z: 26 38.738 2.157 0.671 0.916 1.000 0.880 CB 1.518 26 residues pruned to eliminate duplicates Z: 16 28.344 2.043 0.882 0.934 1.000 0.733 CB 1.327 16 residues pruned to eliminate duplicates Z: 15 31.023 2.155 0.800 0.944 1.000 0.714 CB 1.481 15 residues pruned to eliminate duplicates Z: 16 15.106 1.912 0.472 0.882 0.933 0.667 CB 1.074 16 residues pruned to eliminate duplicates Z: 25 31.866 2.134 0.647 0.923 1.000 0.875 CB 1.300 25 residues pruned to eliminate duplicates Z: 17 24.981 1.917 0.654 0.858 1.000 0.812 CB 1.450 17 residues pruned to eliminate duplicates Z: 17 26.904 1.938 0.704 0.896 1.000 0.875 CB 1.459 17 residues pruned to eliminate duplicates Z: 15 26.430 1.970 0.879 0.924 1.000 0.643 CB 1.340 15 residues pruned to eliminate duplicates Z: 24 48.771 2.293 0.871 0.942 1.000 0.609 CB 1.643 24 residues pruned to eliminate duplicates Z: 25 36.646 2.174 0.857 0.939 0.958 0.833 CB 1.344 24 residues pruned to eliminate duplicates Z: 25 36.207 2.153 0.745 0.932 0.958 0.375 CB 1.434 25 residues pruned to eliminate duplicates Z: 25 53.764 2.307 0.913 0.927 1.000 0.833 CB 1.743 25 residues pruned to eliminate duplicates Z: 16 17.479 1.971 0.167 0.866 1.000 0.733 CB 1.436 16 residues pruned to eliminate duplicates Z: 17 20.822 1.867 0.337 0.899 1.000 0.938 CB 1.491 17 residues pruned to eliminate duplicates Z: 13 23.613 2.136 0.726 0.899 0.917 0.750 CB 1.442 13 residues pruned to eliminate duplicates Z: 15 23.724 2.129 0.434 0.902 1.000 0.857 CB 1.481 15 residues pruned to eliminate duplicates Z: 15 26.767 2.025 0.534 0.921 1.000 0.643 CB 1.621 15 residues pruned to eliminate duplicates Z: 12 12.173 1.988 0.129 0.895 1.000 0.909 CB 1.172 12 residues pruned to eliminate duplicates Z: 15 30.594 2.141 0.859 0.916 0.929 0.643 CB 1.563 16 residues pruned to eliminate duplicates Z: 13 23.752 2.136 0.419 0.909 1.000 0.917 CA 1.606 13 residues pruned to eliminate duplicates Z: 9 12.947 1.975 0.232 0.892 0.875 0.875 CA 1.545 9 residues pruned to eliminate duplicates Z: 15 20.896 2.076 0.515 0.911 0.929 0.357 CB 1.355 15 residues pruned to eliminate duplicates Z: 26 49.492 2.244 0.836 0.944 1.000 0.760 CB 1.663 26 residues pruned to eliminate duplicates Z: 29 27.780 2.065 0.435 0.732 0.893 0.393 CB 1.610 30 residues pruned to eliminate duplicates Z: 14 35.902 2.202 0.855 0.927 1.000 0.615 CB 1.709 15 residues pruned to eliminate duplicates Z: 15 21.016 1.960 0.392 0.925 1.000 0.786 CB 1.444 15 residues pruned to eliminate duplicates Z: 15 21.843 2.127 0.367 0.874 0.929 0.857 CB 1.573 14 residues pruned to eliminate duplicates Z: 14 18.769 1.990 0.394 0.915 1.000 0.846 CB 1.327 14 residues pruned to eliminate duplicates Z: 16 19.409 2.014 0.133 0.905 1.000 0.933 CA 1.562 16 residues pruned to eliminate duplicates Z: 15 22.949 2.032 0.578 0.934 1.000 0.786 CB 1.334 15 residues pruned to eliminate duplicates Z: 46 45.163 2.160 0.790 0.799 0.911 0.356 CB 1.471 46 residues pruned to eliminate duplicates Z: 24 47.081 2.300 0.756 0.941 1.000 0.870 CB 1.687 24 residues pruned to eliminate duplicates Z: 25 50.890 2.284 0.851 0.926 1.000 0.792 CB 1.722 25 residues pruned to eliminate duplicates Z: 16 20.267 2.026 0.423 0.899 1.000 0.867 CB 1.298 16 residues pruned to eliminate duplicates Z: 29 30.688 2.095 0.548 0.742 0.929 0.571 CB 1.550 28 residues pruned to eliminate duplicates Z: 15 29.052 2.139 0.645 0.919 0.929 0.786 CA 1.674 15 residues pruned to eliminate duplicates Z: 25 26.779 2.121 0.455 0.849 0.958 0.750 CB 1.370 25 residues pruned to eliminate duplicates Z: 17 25.002 1.908 0.581 0.909 1.000 0.812 CB 1.470 17 residues pruned to eliminate duplicates Z: 13 24.391 2.189 0.357 0.884 1.000 0.750 CA 1.712 14 residues pruned to eliminate duplicates Z: 15 22.615 2.162 0.298 0.886 0.929 0.786 CB 1.674 15 residues pruned to eliminate duplicates Z: 14 19.668 1.947 0.608 0.918 1.000 0.923 CB 1.229 14 residues pruned to eliminate duplicates Z: 26 45.011 2.207 0.860 0.913 0.960 0.680 CB 1.617 26 residues pruned to eliminate duplicates Z: 16 19.789 1.941 0.267 0.869 1.000 0.800 CB 1.517 16 residues pruned to eliminate duplicates Z: 6 5.958 1.465 0.447 0.637 1.000 0.600 CB 1.106 Z: 16 26.034 1.968 0.660 0.916 1.000 0.933 CB 1.453 16 residues pruned to eliminate duplicates Z: 26 55.113 2.235 1.160 0.950 1.000 0.480 CB 1.575 26 residues pruned to eliminate duplicates Z: 14 25.254 2.042 0.581 0.904 0.923 0.846 CB 1.674 14 residues pruned to eliminate duplicates Z: 7 7.793 1.973 0.117 0.598 1.000 0.500 CB 1.315 7 residues pruned to eliminate duplicates Z: 15 13.659 1.969 0.064 0.899 1.000 0.857 CB 1.245 15 residues pruned to eliminate duplicates Z: 15 23.990 1.933 0.946 0.943 1.000 0.929 CB 1.181 14 residues pruned to eliminate duplicates Z: 15 24.057 2.086 0.486 0.923 1.000 0.929 CB 1.457 15 residues pruned to eliminate duplicates Z: 15 25.555 2.034 0.477 0.866 1.000 0.643 CB 1.664 15 residues pruned to eliminate duplicates Z: 28 33.057 2.117 0.476 0.764 0.963 0.630 CB 1.672 28 residues pruned to eliminate duplicates Z: 15 8.734 1.726 0.345 0.554 0.857 0.500 CB 1.114 Z: 11 13.642 1.934 0.323 0.749 0.900 0.500 CB 1.500 11 residues pruned to eliminate duplicates Z: 16 20.734 1.881 0.490 0.899 0.933 0.800 CB 1.462 16 residues pruned to eliminate duplicates Z: 12 12.810 1.991 0.321 0.698 0.909 0.364 CB 1.348 12 residues pruned to eliminate duplicates Z: 10 15.950 1.960 0.358 0.846 1.000 0.667 CA 1.483 10 residues pruned to eliminate duplicates Z: 15 19.151 2.014 0.267 0.914 1.000 0.857 CB 1.419 15 residues pruned to eliminate duplicates Z: 27 32.504 2.148 0.715 0.866 0.962 0.885 CB 1.318 27 residues pruned to eliminate duplicates Z: 14 22.093 2.075 0.437 0.927 1.000 0.692 CB 1.439 14 residues pruned to eliminate duplicates Z: 14 19.023 2.086 0.364 0.902 0.923 0.846 CB 1.433 14 residues pruned to eliminate duplicates Z: 26 40.652 2.182 0.776 0.908 0.920 0.760 CB 1.619 26 residues pruned to eliminate duplicates Z: 25 50.505 2.286 0.814 0.945 1.000 0.750 CB 1.720 25 residues pruned to eliminate duplicates Z: 24 27.499 2.155 0.440 0.950 0.957 0.913 CB 1.332 24 residues pruned to eliminate duplicates Z: 25 50.813 2.250 0.857 0.943 1.000 0.875 CB 1.721 25 residues pruned to eliminate duplicates Z: 25 32.200 2.142 0.561 0.926 0.958 0.625 CB 1.439 25 residues pruned to eliminate duplicates Z: 16 23.718 1.986 0.585 0.921 1.000 0.933 CB 1.369 16 residues pruned to eliminate duplicates Z: 13 15.652 1.953 0.476 0.911 1.000 0.667 CB 1.111 13 residues pruned to eliminate duplicates Z: 13 8.726 1.914 0.178 0.557 0.917 0.583 CB 1.153 13 residues pruned to eliminate duplicates Z: 15 16.084 1.895 0.345 0.899 0.929 0.857 CB 1.299 15 residues pruned to eliminate duplicates Z: 21 9.727 1.812 0.558 0.462 0.650 0.250 CB 1.232 21 residues pruned to eliminate duplicates Z: 15 29.536 2.134 0.839 0.912 1.000 0.571 CB 1.424 15 residues pruned to eliminate duplicates Z: 14 26.087 2.143 0.613 0.920 1.000 0.692 CB 1.474 14 residues pruned to eliminate duplicates Z: 26 46.278 2.213 0.881 0.942 0.960 0.800 CB 1.606 26 residues pruned to eliminate duplicates Z: 11 8.700 1.672 0.264 0.917 0.900 0.900 CB 1.022 Z: 26 43.254 2.181 0.890 0.902 0.920 0.640 CB 1.627 26 residues pruned to eliminate duplicates Z: 15 13.104 1.822 0.617 0.512 0.857 0.571 CB 1.370 15 residues pruned to eliminate duplicates Z: 36 29.177 2.051 0.525 0.742 0.943 0.686 CB 1.346 36 residues pruned to eliminate duplicates Z: 26 34.885 2.158 0.615 0.918 1.000 0.800 CB 1.413 26 residues pruned to eliminate duplicates Z: 15 20.136 2.036 0.518 0.942 0.929 0.857 CB 1.300 15 residues pruned to eliminate duplicates Z: 8 11.391 1.765 0.362 0.856 1.000 0.857 CA 1.321 Z: 16 19.455 1.993 0.089 0.859 1.000 0.800 CB 1.703 16 residues pruned to eliminate duplicates Z: 17 17.630 1.862 0.242 0.823 0.938 0.875 CB 1.537 17 residues pruned to eliminate duplicates Z: 25 32.101 2.154 0.500 0.921 1.000 0.958 CB 1.427 50 residues pruned to eliminate duplicates Z: 25 39.513 2.196 0.847 0.944 0.875 0.542 CB 1.573 25 residues pruned to eliminate duplicates Z: 15 14.337 1.873 0.254 0.918 1.000 0.857 CB 1.150 15 residues pruned to eliminate duplicates Z: 16 21.192 1.879 0.616 0.895 1.000 0.867 CB 1.292 16 residues pruned to eliminate duplicates Z: 12 14.609 2.089 0.411 0.719 0.818 0.545 CB 1.499 12 residues pruned to eliminate duplicates Z: 15 22.262 2.112 0.441 0.918 1.000 1.000 CB 1.378 15 residues pruned to eliminate duplicates Z: 15 26.644 2.025 0.782 0.940 1.000 0.643 CB 1.370 15 residues pruned to eliminate duplicates Z: 69 52.594 2.100 0.878 0.790 0.941 0.559 CB 1.332 69 residues pruned to eliminate duplicates Z: 67 42.795 2.061 0.616 0.787 0.924 0.606 CB 1.330 67 residues pruned to eliminate duplicates Z: 8 10.781 1.796 0.377 0.827 1.000 0.571 CA 1.242 8 residues pruned to eliminate duplicates Z: 14 25.437 1.995 0.640 0.908 1.000 0.692 CB 1.531 14 residues pruned to eliminate duplicates Z: 26 40.232 2.178 0.694 0.940 0.920 0.680 CB 1.647 26 residues pruned to eliminate duplicates Z: 15 19.309 1.894 0.933 0.884 0.857 0.714 CB 1.188 15 residues pruned to eliminate duplicates Z: 26 50.700 2.231 1.072 0.951 0.960 0.360 CB 1.575 26 residues pruned to eliminate duplicates Z: 15 17.424 2.095 0.124 0.888 0.929 0.857 CA 1.534 15 residues pruned to eliminate duplicates Z: 15 21.737 1.990 0.583 0.923 0.929 0.857 CB 1.396 15 residues pruned to eliminate duplicates Z: 8 5.580 1.528 0.043 0.805 1.000 0.714 CB 1.014 8 residues pruned to eliminate duplicates Z: 15 19.899 1.983 0.539 0.917 0.929 0.786 CB 1.325 15 residues pruned to eliminate duplicates Z: 14 34.778 2.176 1.112 0.939 1.000 0.615 CB 1.458 14 residues pruned to eliminate duplicates Z: 15 21.895 1.984 0.467 0.859 1.000 0.929 CA 1.479 15 residues pruned to eliminate duplicates Z: 17 22.846 1.904 0.454 0.914 1.000 0.938 CB 1.458 17 residues pruned to eliminate duplicates Z: 25 31.770 2.143 0.555 0.908 1.000 0.750 CB 1.382 Z: 15 22.728 2.017 0.582 0.918 0.929 0.786 CB 1.446 15 residues pruned to eliminate duplicates Z: 15 21.863 2.035 0.570 0.901 0.929 0.857 CB 1.406 15 residues pruned to eliminate duplicates Z: 36 21.778 1.876 0.471 0.628 0.971 0.571 CB 1.218 32 residues pruned to eliminate duplicates Z: 25 37.447 2.173 0.695 0.932 1.000 1.000 CB 1.449 26 residues pruned to eliminate duplicates Z: 57 39.744 2.050 0.532 0.715 0.946 0.643 CB 1.471 53 residues pruned to eliminate duplicates Z: 66 44.353 2.061 0.821 0.731 0.892 0.492 CB 1.334 66 residues pruned to eliminate duplicates Z: 9 13.431 1.946 0.368 0.855 0.875 0.625 CA 1.505 9 residues pruned to eliminate duplicates Z: 27 41.245 2.160 0.628 0.937 1.000 0.769 CB 1.601 27 residues pruned to eliminate duplicates Z: 16 23.509 1.966 0.710 0.931 1.000 0.667 CB 1.262 16 residues pruned to eliminate duplicates Z: 6 4.961 1.597 0.350 0.697 0.800 0.200 CB 1.075 6 residues pruned to eliminate duplicates Z: 11 10.449 1.689 0.316 0.915 1.000 0.900 CB 1.051 11 residues pruned to eliminate duplicates Z: 14 32.780 2.184 0.970 0.923 1.000 0.769 CB 1.484 14 residues pruned to eliminate duplicates Z: 15 24.762 2.018 0.724 0.919 1.000 0.857 CB 1.341 15 residues pruned to eliminate duplicates Z: 14 27.330 2.108 0.998 0.881 1.000 0.538 CB 1.303 14 residues pruned to eliminate duplicates Z: 14 30.569 2.176 0.562 0.933 1.000 0.923 CA 1.741 14 residues pruned to eliminate duplicates Z: 24 30.308 2.145 0.483 0.950 1.000 0.783 CB 1.370 48 residues pruned to eliminate duplicates Z: 15 20.773 2.072 0.206 0.902 1.000 0.786 CB 1.584 15 residues pruned to eliminate duplicates Z: 11 18.453 1.956 0.589 0.811 0.900 0.400 CA 1.591 11 residues pruned to eliminate duplicates Z: 25 28.273 2.087 0.468 0.913 0.958 0.792 CB 1.391 Z: 12 14.441 1.866 0.491 0.898 1.000 1.000 CB 1.120 12 residues pruned to eliminate duplicates Z: 24 28.796 2.104 0.475 0.914 1.000 0.696 CB 1.368 26 residues pruned to eliminate duplicates Z: 17 26.031 1.984 0.481 0.890 0.938 0.625 CB 1.700 17 residues pruned to eliminate duplicates Z: 26 36.069 2.143 0.876 0.914 1.000 0.520 CB 1.269 49 residues pruned to eliminate duplicates Z: 7 8.352 1.772 0.375 0.855 0.833 0.833 CB 1.240 7 residues pruned to eliminate duplicates Z: 11 16.119 1.929 0.400 0.827 1.000 0.600 CB 1.422 11 residues pruned to eliminate duplicates Z: 26 26.573 2.116 0.587 0.862 0.920 0.720 CB 1.262 26 residues pruned to eliminate duplicates Z: 24 29.755 2.105 0.455 0.943 1.000 0.957 CB 1.404 Z: 15 26.401 2.045 0.856 0.920 1.000 0.714 CB 1.310 15 residues pruned to eliminate duplicates Z: 40 17.545 1.791 0.452 0.560 0.846 0.462 CB 1.204 40 residues pruned to eliminate duplicates Z: 14 19.908 1.976 0.639 0.935 1.000 0.769 CB 1.188 14 residues pruned to eliminate duplicates Z: 25 33.246 2.118 0.633 0.915 1.000 0.917 CB 1.387 49 residues pruned to eliminate duplicates Z: 15 18.579 1.916 0.407 0.878 1.000 0.571 CB 1.337 15 residues pruned to eliminate duplicates Z: 7 11.048 1.876 0.315 0.909 1.000 1.000 CB 1.298 7 residues pruned to eliminate duplicates Z: 10 5.778 1.744 -0.022 0.785 0.889 0.444 CB 0.989 10 residues pruned to eliminate duplicates Z: 11 11.497 1.707 0.301 0.891 1.000 0.700 CB 1.176 11 residues pruned to eliminate duplicates Z: 24 41.048 2.193 1.114 0.927 0.957 0.478 CB 1.353 24 residues pruned to eliminate duplicates Z: 10 14.832 1.879 0.506 0.826 0.889 0.444 CA 1.483 11 residues pruned to eliminate duplicates Z: 6 4.995 1.449 0.599 0.407 1.000 0.600 C 1.063 Z: 11 9.754 1.731 0.324 0.888 0.900 0.600 CB 1.078 11 residues pruned to eliminate duplicates Z: 25 38.121 2.164 0.942 0.914 1.000 0.625 CB 1.310 Z: 12 9.302 1.616 0.234 0.877 0.909 0.818 CB 1.124 11 residues pruned to eliminate duplicates Z: 24 47.384 2.257 0.733 0.947 1.000 0.870 CA 1.746 24 residues pruned to eliminate duplicates Z: 12 15.842 1.862 0.410 0.889 1.000 0.818 CB 1.310 12 residues pruned to eliminate duplicates Z: 13 8.018 1.779 0.466 0.530 0.833 0.417 CB 1.033 13 residues pruned to eliminate duplicates Z: 26 30.227 2.174 0.651 0.744 0.880 0.760 CA 1.539 26 residues pruned to eliminate duplicates Z: 10 14.843 1.922 0.519 0.805 0.889 0.444 CB 1.461 10 residues pruned to eliminate duplicates Z: 24 27.176 2.162 0.343 0.934 1.000 1.000 CB 1.361 24 residues pruned to eliminate duplicates Z: 47 40.621 2.076 0.625 0.789 0.935 0.587 CB 1.473 47 residues pruned to eliminate duplicates Z: 16 14.937 1.740 0.310 0.835 0.933 0.667 O 1.359 16 residues pruned to eliminate duplicates Z: 6 6.677 2.007 -0.062 0.848 1.000 0.800 CB 1.177 Z: 24 39.146 2.171 0.582 0.931 1.000 0.826 CB 1.661 24 residues pruned to eliminate duplicates Z: 16 22.577 1.955 0.694 0.912 1.000 0.867 CB 1.246 16 residues pruned to eliminate duplicates Z: 52 41.517 2.078 0.881 0.781 0.922 0.333 CB 1.260 77 residues pruned to eliminate duplicates Z: 35 29.472 2.030 0.745 0.716 0.853 0.412 CB 1.375 35 residues pruned to eliminate duplicates Z: 26 31.481 2.142 0.385 0.934 1.000 0.920 CB 1.480 26 residues pruned to eliminate duplicates Z: 14 18.486 1.853 1.051 0.897 0.923 0.769 CB 1.046 14 residues pruned to eliminate duplicates Z: 24 31.459 2.138 0.460 0.937 1.000 0.652 CB 1.462 24 residues pruned to eliminate duplicates Z: 7 3.651 1.784 0.066 0.239 1.000 0.500 CB 1.060 7 residues pruned to eliminate duplicates Z: 14 14.328 1.898 0.508 0.876 0.923 0.923 CB 1.093 14 residues pruned to eliminate duplicates Z: 10 5.791 1.834 0.046 0.724 0.778 0.444 CB 1.057 6 residues pruned to eliminate duplicates Z: 8 8.077 2.009 0.085 0.691 0.857 0.571 CB 1.372 8 residues pruned to eliminate duplicates Z: 16 13.514 1.861 0.316 0.915 1.000 0.867 CB 1.008 16 residues pruned to eliminate duplicates Z: 50 40.113 2.134 0.736 0.800 0.898 0.551 CB 1.325 50 residues pruned to eliminate duplicates Z: 7 9.287 1.903 0.298 0.865 1.000 0.667 CB 1.124 7 residues pruned to eliminate duplicates Z: 16 17.426 1.894 0.397 0.856 1.000 0.800 CB 1.255 16 residues pruned to eliminate duplicates Z: 7 5.391 1.541 0.703 0.763 0.833 0.500 CB 0.797 7 residues pruned to eliminate duplicates Z: 15 21.620 1.941 0.554 0.915 0.929 0.500 CB 1.458 21 residues pruned to eliminate duplicates Z: 11 11.997 1.715 0.717 0.851 0.900 0.600 CB 1.059 11 residues pruned to eliminate duplicates Z: 16 21.029 2.029 0.484 0.932 0.933 0.933 CB 1.348 16 residues pruned to eliminate duplicates Z: 20 8.621 1.610 0.419 0.561 0.842 0.526 CB 0.969 20 residues pruned to eliminate duplicates Z: 15 25.962 2.006 0.786 0.936 0.929 0.286 CB 1.453 15 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 48 36.671 2.104 0.592 0.739 0.936 0.660 CB 1.377 48 residues pruned to eliminate duplicates Z: 17 26.660 2.080 0.769 0.877 0.938 0.625 CB 1.404 16 residues pruned to eliminate duplicates Z: 15 26.037 2.077 0.676 0.924 1.000 0.786 CB 1.403 15 residues pruned to eliminate duplicates Z: 69 44.608 2.109 0.547 0.785 0.956 0.765 CB 1.350 69 residues pruned to eliminate duplicates Z: 67 46.716 2.131 0.553 0.792 0.970 0.682 CB 1.387 67 residues pruned to eliminate duplicates Z: 52 37.250 2.137 0.419 0.787 0.961 0.765 CB 1.392 52 residues pruned to eliminate duplicates Z: 70 46.273 2.103 0.558 0.777 0.957 0.681 CB 1.392 70 residues pruned to eliminate duplicates Z: 32 40.531 2.115 0.815 0.835 1.000 0.613 CB 1.421 32 residues pruned to eliminate duplicates Z: 34 34.029 2.119 0.733 0.775 0.909 0.455 CB 1.391 34 residues pruned to eliminate duplicates Z: 61 47.219 2.137 0.642 0.800 0.933 0.650 CB 1.432 61 residues pruned to eliminate duplicates Z: 15 36.079 2.179 1.190 0.926 1.000 0.714 CB 1.417 15 residues pruned to eliminate duplicates Z: 19 23.894 2.029 0.725 0.763 0.944 0.667 CB 1.348 19 residues pruned to eliminate duplicates Z: 58 44.003 2.140 0.520 0.817 0.947 0.702 CB 1.436 59 residues pruned to eliminate duplicates Z: 14 34.321 2.180 0.964 0.928 1.000 0.462 CB 1.557 14 residues pruned to eliminate duplicates Z: 42 32.586 2.028 0.614 0.738 0.902 0.512 CB 1.391 42 residues pruned to eliminate duplicates Z: 66 46.592 2.137 0.550 0.793 0.954 0.600 CB 1.414 66 residues pruned to eliminate duplicates Z: 54 39.205 2.080 0.522 0.774 0.962 0.774 CB 1.387 54 residues pruned to eliminate duplicates Z: 48 36.610 2.088 0.622 0.756 0.915 0.660 CB 1.372 48 residues pruned to eliminate duplicates Z: 65 45.075 2.142 0.512 0.796 0.953 0.750 CB 1.408 65 residues pruned to eliminate duplicates Z: 41 35.326 2.063 0.690 0.761 0.900 0.425 CB 1.412 41 residues pruned to eliminate duplicates Z: 68 45.706 2.113 0.553 0.793 0.940 0.746 CB 1.400 78 residues pruned to eliminate duplicates Z: 53 37.420 2.067 0.458 0.785 0.981 0.712 CB 1.365 53 residues pruned to eliminate duplicates Z: 67 50.269 2.121 0.678 0.797 0.955 0.712 CB 1.404 67 residues pruned to eliminate duplicates Z: 26 26.975 1.992 0.877 0.717 0.960 0.720 CB 1.235 26 residues pruned to eliminate duplicates Z: 79 43.373 1.975 0.778 0.708 0.923 0.513 CB 1.255 35 residues pruned to eliminate duplicates Z: 14 25.362 2.149 0.645 0.934 1.000 0.538 CB 1.388 14 residues pruned to eliminate duplicates Z: 51 44.537 2.160 0.606 0.819 0.960 0.660 CB 1.434 51 residues pruned to eliminate duplicates Z: 20 20.994 2.031 0.567 0.704 0.947 0.632 CB 1.327 20 residues pruned to eliminate duplicates Z: 67 44.947 2.102 0.516 0.792 0.970 0.697 CB 1.386 67 residues pruned to eliminate duplicates Z: 68 50.290 2.124 0.668 0.801 0.955 0.672 CB 1.396 68 residues pruned to eliminate duplicates Z: 50 41.614 2.134 0.724 0.806 0.918 0.531 CB 1.348 50 residues pruned to eliminate duplicates Z: 59 50.778 2.122 0.748 0.824 0.983 0.672 CB 1.381 59 residues pruned to eliminate duplicates Z: 51 46.632 2.143 0.734 0.824 0.940 0.540 CB 1.426 51 residues pruned to eliminate duplicates Z: 46 41.497 2.134 0.738 0.784 0.933 0.600 CB 1.391 46 residues pruned to eliminate duplicates Z: 67 44.626 2.123 0.641 0.785 0.909 0.530 CB 1.349 67 residues pruned to eliminate duplicates Z: 69 46.788 2.120 0.546 0.795 0.971 0.676 CB 1.378 69 residues pruned to eliminate duplicates Z: 38 32.796 2.071 0.838 0.718 0.892 0.459 CB 1.304 38 residues pruned to eliminate duplicates Z: 107 58.831 2.090 0.700 0.728 0.934 0.604 CB 1.401 98 residues pruned to eliminate duplicates Z: 17 16.686 1.955 0.433 0.775 1.000 0.938 CB 1.168 17 residues pruned to eliminate duplicates Z: 38 27.495 1.899 0.575 0.722 0.973 0.703 CB 1.271 35 residues pruned to eliminate duplicates Z: 15 21.085 2.013 0.565 0.930 1.000 0.857 CB 1.251 15 residues pruned to eliminate duplicates Z: 101 58.089 2.083 0.663 0.747 0.950 0.660 CB 1.416 101 residues pruned to eliminate duplicates Z: 36 31.028 1.929 0.724 0.756 0.943 0.571 CB 1.331 36 residues pruned to eliminate duplicates Z: 41 27.130 1.947 0.502 0.691 0.925 0.575 CB 1.331 41 residues pruned to eliminate duplicates Z: 36 32.162 1.956 0.638 0.761 1.000 0.714 CB 1.346 36 residues pruned to eliminate duplicates Z: 43 31.020 1.917 0.717 0.697 0.905 0.595 CB 1.343 39 residues pruned to eliminate duplicates Z: 16 19.653 2.003 0.613 0.908 0.933 0.600 CB 1.195 16 residues pruned to eliminate duplicates Z: 69 53.541 2.096 0.738 0.770 0.941 0.647 CB 1.491 70 residues pruned to eliminate duplicates Z: 16 23.185 2.010 0.783 0.898 0.933 0.600 CB 1.280 16 residues pruned to eliminate duplicates Z: 22 23.334 1.813 0.886 0.718 0.952 0.667 CB 1.284 22 residues pruned to eliminate duplicates Z: 73 45.708 2.002 0.756 0.726 0.917 0.597 CB 1.363 73 residues pruned to eliminate duplicates Z: 72 51.969 2.068 0.674 0.754 0.958 0.676 CB 1.484 72 residues pruned to eliminate duplicates Z: 18 23.775 1.926 0.873 0.776 0.941 0.706 CB 1.331 18 residues pruned to eliminate duplicates Z: 72 50.005 2.031 0.742 0.768 0.958 0.676 CB 1.381 42 residues pruned to eliminate duplicates Z: 18 26.898 1.922 0.878 0.814 1.000 0.588 CB 1.376 18 residues pruned to eliminate duplicates Z: 37 34.316 1.964 0.766 0.747 0.972 0.583 CB 1.359 37 residues pruned to eliminate duplicates Z: 34 32.809 2.010 0.771 0.787 0.939 0.515 CB 1.327 34 residues pruned to eliminate duplicates Z: 105 59.492 2.073 0.804 0.731 0.904 0.567 CB 1.402 105 residues pruned to eliminate duplicates Z: 65 48.580 2.076 0.644 0.770 0.938 0.625 CB 1.495 65 residues pruned to eliminate duplicates Z: 106 63.541 2.101 0.755 0.757 0.933 0.695 CB 1.433 106 residues pruned to eliminate duplicates Z: 71 50.684 2.049 0.847 0.760 0.929 0.586 CB 1.368 71 residues pruned to eliminate duplicates Z: 68 51.924 2.116 0.737 0.756 0.940 0.672 CB 1.462 68 residues pruned to eliminate duplicates Z: 55 45.175 2.093 0.680 0.761 0.926 0.630 CB 1.497 54 residues pruned to eliminate duplicates Z: 10 12.393 1.933 0.151 0.897 0.889 0.444 CB 1.496 10 residues pruned to eliminate duplicates Z: 71 47.490 1.967 0.812 0.776 0.943 0.471 CB 1.324 71 residues pruned to eliminate duplicates Z: 109 62.179 2.070 0.786 0.746 0.926 0.519 CB 1.403 108 residues pruned to eliminate duplicates Z: 10 10.680 1.895 0.541 0.851 0.667 0.222 CB 1.353 10 residues pruned to eliminate duplicates Z: 34 32.400 1.937 0.908 0.786 0.939 0.424 CB 1.263 34 residues pruned to eliminate duplicates Z: 42 26.517 1.844 0.801 0.679 0.854 0.439 CB 1.239 42 residues pruned to eliminate duplicates Z: 70 46.150 2.040 0.759 0.758 0.913 0.406 CB 1.348 70 residues pruned to eliminate duplicates Z: 106 59.136 2.088 0.702 0.757 0.924 0.476 CB 1.399 106 residues pruned to eliminate duplicates Z: 28 48.299 2.264 0.881 0.830 0.963 0.778 CB 1.704 28 residues pruned to eliminate duplicates Z: 34 47.698 2.227 0.786 0.781 1.000 0.576 CB 1.631 34 residues pruned to eliminate duplicates Z: 67 51.061 2.085 0.763 0.740 0.939 0.606 CB 1.468 67 residues pruned to eliminate duplicates Z: 60 53.882 2.137 0.820 0.810 0.932 0.627 CB 1.476 60 residues pruned to eliminate duplicates Z: 69 58.975 2.134 0.794 0.791 0.971 0.500 CB 1.490 69 residues pruned to eliminate duplicates Z: 27 47.120 2.247 0.772 0.856 1.000 0.538 CB 1.713 27 residues pruned to eliminate duplicates Z: 71 53.871 2.076 0.777 0.769 0.943 0.614 CB 1.458 71 residues pruned to eliminate duplicates Z: 26 48.659 2.236 0.943 0.939 0.960 0.440 CB 1.622 26 residues pruned to eliminate duplicates Z: 26 49.744 2.299 0.938 0.891 0.960 0.600 CB 1.672 26 residues pruned to eliminate duplicates Z: 98 63.121 2.101 0.816 0.768 0.928 0.546 CB 1.428 98 residues pruned to eliminate duplicates Z: 34 49.886 2.255 0.876 0.817 1.000 0.606 CB 1.559 34 residues pruned to eliminate duplicates Z: 36 44.096 2.208 0.849 0.785 0.886 0.571 CB 1.604 36 residues pruned to eliminate duplicates Z: 31 48.951 2.211 0.996 0.783 0.967 0.367 CB 1.633 38 residues pruned to eliminate duplicates Z: 25 52.100 2.293 1.008 0.944 0.958 0.417 CB 1.669 25 residues pruned to eliminate duplicates Z: 28 46.067 2.203 0.886 0.861 0.963 0.481 CB 1.628 28 residues pruned to eliminate duplicates Z: 50 46.586 2.169 0.791 0.763 0.918 0.429 CB 1.477 46 residues pruned to eliminate duplicates Z: 27 44.090 2.175 0.907 0.940 0.962 0.385 CB 1.507 27 residues pruned to eliminate duplicates Z: 35 42.645 2.206 0.806 0.770 0.941 0.441 CB 1.536 35 residues pruned to eliminate duplicates Z: 72 51.253 2.071 0.832 0.761 0.915 0.549 CB 1.388 72 residues pruned to eliminate duplicates Z: 30 37.810 2.236 0.728 0.805 0.897 0.414 CB 1.554 28 residues pruned to eliminate duplicates Z: 28 40.453 2.105 0.940 0.903 0.926 0.370 CB 1.468 28 residues pruned to eliminate duplicates Z: 23 33.454 2.268 0.780 0.789 0.864 0.545 CB 1.587 23 residues pruned to eliminate duplicates Z: 25 48.364 2.229 0.997 0.951 0.958 0.458 CB 1.595 25 residues pruned to eliminate duplicates Z: 52 50.353 2.149 0.870 0.768 0.882 0.431 CB 1.569 52 residues pruned to eliminate duplicates Z: 30 38.052 2.197 0.913 0.763 0.897 0.241 CB 1.485 30 residues pruned to eliminate duplicates Z: 103 53.639 2.065 0.744 0.701 0.892 0.402 CB 1.376 103 residues pruned to eliminate duplicates Z: 96 62.413 2.093 0.867 0.748 0.926 0.474 CB 1.417 96 residues pruned to eliminate duplicates Z: 43 41.103 2.098 0.937 0.770 0.810 0.405 CB 1.518 43 residues pruned to eliminate duplicates Z: 32 21.040 1.934 0.463 0.664 0.935 0.839 CB 1.226 32 residues pruned to eliminate duplicates Z: 55 39.686 2.047 0.574 0.724 0.944 0.685 CB 1.451 56 residues pruned to eliminate duplicates Z: 25 24.807 1.948 0.664 0.752 0.958 0.667 CB 1.302 25 residues pruned to eliminate duplicates Z: 26 23.120 2.002 0.422 0.724 1.000 0.680 CB 1.326 27 residues pruned to eliminate duplicates Z: 8 13.821 1.763 0.739 0.832 1.000 0.429 CB 1.280 8 residues pruned to eliminate duplicates Z: 34 23.005 1.926 0.619 0.616 0.909 0.606 CB 1.265 34 residues pruned to eliminate duplicates Z: 26 25.638 2.007 0.503 0.755 0.960 0.680 CB 1.411 26 residues pruned to eliminate duplicates Z: 86 54.150 2.103 0.697 0.724 0.906 0.529 CB 1.485 90 residues pruned to eliminate duplicates Z: 6 8.672 1.878 0.835 0.874 0.800 0.400 CB 1.024 6 residues pruned to eliminate duplicates Z: 59 32.941 2.023 0.429 0.665 0.897 0.603 CB 1.432 59 residues pruned to eliminate duplicates Z: 29 26.731 1.980 0.625 0.668 1.000 0.643 CB 1.345 29 residues pruned to eliminate duplicates Z: 60 33.737 1.997 0.460 0.665 0.932 0.542 CB 1.387 60 residues pruned to eliminate duplicates Z: 59 34.939 1.991 0.551 0.668 0.879 0.569 CB 1.447 59 residues pruned to eliminate duplicates Z: 60 35.610 2.019 0.508 0.647 0.932 0.559 CB 1.424 60 residues pruned to eliminate duplicates Z: 47 34.642 2.059 0.435 0.722 0.935 0.674 CB 1.513 47 residues pruned to eliminate duplicates Z: 18 21.185 2.059 0.433 0.748 0.941 0.824 CB 1.483 18 residues pruned to eliminate duplicates Z: 33 21.497 1.932 0.498 0.596 0.906 0.594 CB 1.323 33 residues pruned to eliminate duplicates Z: 58 30.341 2.019 0.365 0.662 0.877 0.579 CB 1.431 58 residues pruned to eliminate duplicates Z: 24 18.630 1.964 0.425 0.600 0.913 0.696 CB 1.382 24 residues pruned to eliminate duplicates Z: 47 36.215 2.074 0.485 0.681 0.935 0.630 CB 1.570 47 residues pruned to eliminate duplicates Z: 56 41.231 2.073 0.627 0.702 0.927 0.545 CB 1.479 56 residues pruned to eliminate duplicates Z: 26 26.242 2.012 0.647 0.702 0.920 0.680 CB 1.433 26 residues pruned to eliminate duplicates Z: 13 21.365 1.967 0.790 0.693 0.917 0.833 N 1.603 13 residues pruned to eliminate duplicates Z: 27 30.779 2.028 0.792 0.793 0.923 0.731 CB 1.391 27 residues pruned to eliminate duplicates Z: 45 39.766 2.106 0.711 0.711 0.886 0.591 CB 1.549 45 residues pruned to eliminate duplicates Z: 54 34.069 2.050 0.547 0.661 0.868 0.604 CB 1.464 54 residues pruned to eliminate duplicates Z: 46 34.983 2.070 0.618 0.708 0.844 0.511 CB 1.527 45 residues pruned to eliminate duplicates Z: 12 14.200 2.118 0.232 0.666 0.818 0.545 CB 1.719 12 residues pruned to eliminate duplicates Z: 55 34.947 2.059 0.448 0.691 0.926 0.574 CB 1.446 55 residues pruned to eliminate duplicates Z: 47 37.332 2.075 0.551 0.699 0.913 0.630 CB 1.562 47 residues pruned to eliminate duplicates Z: 54 37.141 2.024 0.566 0.683 0.925 0.623 CB 1.471 54 residues pruned to eliminate duplicates Z: 56 45.547 2.066 0.672 0.719 0.982 0.618 CB 1.486 56 residues pruned to eliminate duplicates Z: 49 34.522 2.044 0.527 0.686 0.896 0.604 CB 1.502 49 residues pruned to eliminate duplicates Z: 56 39.781 2.070 0.525 0.737 0.964 0.709 CB 1.425 56 residues pruned to eliminate duplicates Z: 46 37.462 2.101 0.501 0.722 0.933 0.756 CB 1.552 46 residues pruned to eliminate duplicates Z: 57 35.387 2.011 0.574 0.709 0.911 0.482 CB 1.357 57 residues pruned to eliminate duplicates Z: 29 31.222 2.104 0.501 0.744 0.893 0.536 CB 1.684 29 residues pruned to eliminate duplicates Z: 24 34.500 2.162 0.463 0.820 1.000 0.522 CB 1.723 24 residues pruned to eliminate duplicates Z: 29 32.211 2.102 0.498 0.749 0.964 0.607 CB 1.604 29 residues pruned to eliminate duplicates Z: 50 33.810 2.021 0.526 0.679 0.898 0.612 CB 1.478 50 residues pruned to eliminate duplicates Z: 60 38.342 2.025 0.595 0.680 0.932 0.712 CB 1.405 60 residues pruned to eliminate duplicates Z: 61 32.771 1.997 0.466 0.661 0.900 0.617 CB 1.383 61 residues pruned to eliminate duplicates Z: 58 36.835 1.990 0.566 0.669 0.947 0.667 CB 1.413 58 residues pruned to eliminate duplicates Z: 28 31.812 2.075 0.618 0.753 0.889 0.519 CB 1.637 28 residues pruned to eliminate duplicates Z: 56 38.318 2.045 0.470 0.735 0.982 0.691 CB 1.418 56 residues pruned to eliminate duplicates Z: 59 38.950 2.023 0.505 0.714 0.948 0.638 CB 1.459 59 residues pruned to eliminate duplicates Z: 31 31.188 2.068 0.507 0.698 0.967 0.633 CB 1.577 31 residues pruned to eliminate duplicates Z: 46 35.729 2.098 0.487 0.729 0.933 0.711 CB 1.489 46 residues pruned to eliminate duplicates Z: 29 35.127 2.108 0.613 0.746 1.000 0.679 CB 1.567 29 residues pruned to eliminate duplicates Z: 29 35.614 2.085 0.606 0.739 1.000 0.571 CB 1.622 28 residues pruned to eliminate duplicates Z: 9 12.948 1.840 0.520 0.821 0.875 0.750 CB 1.416 10 residues pruned to eliminate duplicates Z: 14 29.657 2.107 0.593 0.920 1.000 0.923 CB 1.726 15 residues pruned to eliminate duplicates Z: 10 6.591 1.616 0.284 0.629 0.778 0.556 CB 1.206 10 residues pruned to eliminate duplicates Z: 13 8.892 1.926 0.248 0.571 0.833 0.500 CB 1.197 13 residues pruned to eliminate duplicates Z: 14 8.959 1.816 0.229 0.611 0.846 0.462 CB 1.185 14 residues pruned to eliminate duplicates Z: 13 9.902 1.886 0.271 0.576 0.917 0.667 CB 1.209 13 residues pruned to eliminate duplicates Z: 29 19.653 1.864 0.441 0.728 0.964 0.500 CB 1.168 26 residues pruned to eliminate duplicates Z: 11 13.650 1.941 0.389 0.680 0.900 0.300 CA 1.508 11 residues pruned to eliminate duplicates Z: 8 15.041 1.918 0.773 0.657 1.000 0.286 CB 1.445 8 residues pruned to eliminate duplicates Z: 24 25.030 1.970 0.806 0.736 0.957 0.609 CB 1.241 25 residues pruned to eliminate duplicates Z: 26 20.749 1.944 0.446 0.820 0.880 0.640 CB 1.271 26 residues pruned to eliminate duplicates Z: 12 16.494 1.934 0.546 0.737 0.909 0.455 CB 1.479 12 residues pruned to eliminate duplicates Z: 25 18.674 1.905 0.505 0.752 0.875 0.500 CB 1.215 25 residues pruned to eliminate duplicates Z: 26 19.432 1.871 0.488 0.779 0.880 0.680 CB 1.240 26 residues pruned to eliminate duplicates Z: 24 16.046 1.951 0.367 0.751 0.826 0.565 CB 1.214 23 residues pruned to eliminate duplicates Z: 10 18.395 1.952 0.529 0.838 1.000 0.556 CA 1.536 10 residues pruned to eliminate duplicates Z: 26 22.013 1.911 0.414 0.795 0.960 0.560 CB 1.311 26 residues pruned to eliminate duplicates Z: 27 23.423 1.877 0.672 0.783 0.885 0.615 CB 1.289 27 residues pruned to eliminate duplicates Z: 25 21.791 1.919 0.610 0.785 0.875 0.542 CB 1.280 25 residues pruned to eliminate duplicates Z: 27 21.809 1.925 0.642 0.760 0.885 0.577 CB 1.215 27 residues pruned to eliminate duplicates Z: 26 17.673 1.858 0.525 0.715 0.840 0.600 CB 1.223 26 residues pruned to eliminate duplicates Z: 28 21.970 1.910 0.598 0.781 0.889 0.704 CB 1.216 28 residues pruned to eliminate duplicates Z: 27 20.823 1.896 0.591 0.779 0.885 0.654 CB 1.197 27 residues pruned to eliminate duplicates Z: 25 18.839 1.937 0.586 0.725 0.833 0.583 CB 1.227 25 residues pruned to eliminate duplicates Z: 26 25.409 1.992 0.724 0.750 0.920 0.800 CB 1.286 26 residues pruned to eliminate duplicates Z: 28 21.767 1.904 0.598 0.758 0.889 0.481 CB 1.231 28 residues pruned to eliminate duplicates Z: 28 21.895 1.903 0.613 0.732 0.926 0.630 CB 1.203 28 residues pruned to eliminate duplicates Z: 27 26.544 1.953 0.850 0.770 0.923 0.577 CB 1.229 27 residues pruned to eliminate duplicates Z: 16 21.697 1.940 1.061 0.908 0.933 0.800 CB 1.066 16 residues pruned to eliminate duplicates Z: 13 22.699 1.875 1.097 0.930 1.000 0.833 CB 1.165 13 residues pruned to eliminate duplicates Z: 14 24.927 1.976 1.173 0.938 1.000 0.692 CB 1.120 14 residues pruned to eliminate duplicates Z: 26 25.668 1.944 0.827 0.793 0.880 0.480 CB 1.270 26 residues pruned to eliminate duplicates Z: 65 50.740 2.105 0.829 0.753 0.891 0.484 CB 1.477 65 residues pruned to eliminate duplicates Z: 7 5.585 2.023 -0.072 0.610 0.833 0.667 CB 1.313 Z: 10 10.619 1.726 0.358 0.893 1.000 0.667 CB 1.084 10 residues pruned to eliminate duplicates Z: 10 8.724 1.699 0.376 0.890 1.000 0.778 CB 0.895 10 residues pruned to eliminate duplicates Z: 11 12.797 1.745 0.508 0.904 1.000 0.800 CB 1.095 12 residues pruned to eliminate duplicates Z: 11 8.469 1.585 0.432 0.832 0.900 0.400 CB 0.985 11 residues pruned to eliminate duplicates Z: 11 10.986 1.719 0.347 0.887 1.000 0.600 CB 1.082 11 residues pruned to eliminate duplicates Z: 11 13.009 1.739 0.574 0.879 1.000 0.600 CB 1.090 11 residues pruned to eliminate duplicates Z: 12 9.010 1.610 0.538 0.809 0.818 0.455 CB 1.024 12 residues pruned to eliminate duplicates Z: 6 6.976 1.625 0.490 0.701 1.000 0.600 CB 1.073 6 residues pruned to eliminate duplicates Z: 9 11.877 1.792 0.773 0.865 1.000 0.625 CB 0.968 9 residues pruned to eliminate duplicates Z: 68 51.633 2.105 0.792 0.803 0.955 0.552 CB 1.344 68 residues pruned to eliminate duplicates Z: 45 25.015 2.040 0.512 0.673 0.864 0.500 CB 1.207 45 residues pruned to eliminate duplicates Z: 53 39.408 2.109 0.605 0.770 0.923 0.615 CB 1.377 53 residues pruned to eliminate duplicates Z: 67 49.547 2.137 0.698 0.794 0.939 0.530 CB 1.383 67 residues pruned to eliminate duplicates Z: 37 29.756 2.064 0.561 0.763 0.917 0.528 CB 1.329 Z: 16 29.507 2.166 0.840 0.911 1.000 0.600 CB 1.355 19 residues pruned to eliminate duplicates Z: 19 34.821 2.232 0.903 0.920 1.000 0.667 CB 1.361 19 residues pruned to eliminate duplicates Z: 42 31.627 2.049 0.720 0.765 0.951 0.488 CB 1.165 76 residues pruned to eliminate duplicates Z: 67 47.831 2.131 0.682 0.788 0.939 0.470 CB 1.357 67 residues pruned to eliminate duplicates Z: 68 46.806 2.117 0.670 0.788 0.896 0.493 CB 1.403 68 residues pruned to eliminate duplicates Z: 54 40.984 2.080 0.793 0.743 0.925 0.585 CB 1.313 54 residues pruned to eliminate duplicates Z: 68 48.878 2.113 0.735 0.805 0.940 0.507 CB 1.328 68 residues pruned to eliminate duplicates Z: 34 35.831 2.140 0.721 0.807 0.970 0.727 CB 1.337 Z: 25 34.447 2.178 0.703 0.937 0.958 0.750 CB 1.377 25 residues pruned to eliminate duplicates Z: 68 50.243 2.111 0.869 0.800 0.910 0.433 CB 1.315 102 residues pruned to eliminate duplicates Z: 62 54.086 2.162 0.848 0.791 0.967 0.459 CB 1.389 63 residues pruned to eliminate duplicates Z: 25 37.672 2.156 0.810 0.935 1.000 0.417 CB 1.373 Z: 26 38.246 2.119 1.093 0.912 0.960 0.600 CB 1.272 26 residues pruned to eliminate duplicates Z: 26 31.697 2.087 1.043 0.857 0.920 0.440 CB 1.191 26 residues pruned to eliminate duplicates Z: 68 53.158 2.107 0.904 0.800 0.940 0.463 CB 1.324 93 residues pruned to eliminate duplicates Z: 68 50.562 2.104 0.842 0.790 0.910 0.358 CB 1.357 68 residues pruned to eliminate duplicates Z: 10 9.302 1.827 0.324 0.700 0.889 0.667 CB 1.202 Z: 7 4.912 1.691 0.357 0.509 0.667 0.500 CA 1.298 9 residues pruned to eliminate duplicates Z: 6 3.542 1.683 0.378 0.610 0.600 0.600 CB 1.026 6 residues pruned to eliminate duplicates Z: 65 41.044 2.070 0.749 0.732 0.875 0.328 CB 1.314 73 residues pruned to eliminate duplicates Z: 9 6.214 1.853 0.167 0.615 0.875 0.375 CB 1.041 228 residues left after pruning, divided into chains as follows: A: 15 B: 28 C: 6 D: 11 E: 159 F: 9 CC for partial structure against native data = 33.79 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.375, Connect. = 0.736 for dens.mod. cycle 1 = 0.300, Contrast = 0.428, Connect. = 0.757 for dens.mod. cycle 2 = 0.300, Contrast = 0.512, Connect. = 0.788 for dens.mod. cycle 3 = 0.300, Contrast = 0.517, Connect. = 0.790 for dens.mod. cycle 4 = 0.300, Contrast = 0.527, Connect. = 0.792 for dens.mod. cycle 5 = 0.300, Contrast = 0.532, Connect. = 0.794 for dens.mod. cycle 6 = 0.300, Contrast = 0.540, Connect. = 0.795 for dens.mod. cycle 7 = 0.300, Contrast = 0.545, Connect. = 0.797 for dens.mod. cycle 8 = 0.300, Contrast = 0.551, Connect. = 0.798 for dens.mod. cycle 9 = 0.300, Contrast = 0.554, Connect. = 0.800 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1133 peaks > 0.5 sigma used to seed fragment search Space for about 269 unique residues taking solvent into account 267 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 27 45.766 2.208 0.890 0.924 0.923 0.500 CA 1.637 B: 26 57.378 2.311 0.991 0.955 1.000 0.440 CA 1.713 27 residues pruned to eliminate duplicates C: 29 41.654 2.297 0.946 0.822 0.821 0.500 CB 1.621 29 residues pruned to eliminate duplicates D: 25 54.146 2.294 1.026 0.955 0.958 0.667 CB 1.705 25 residues pruned to eliminate duplicates E: 18 41.404 2.348 0.939 0.906 0.882 0.588 CB 1.777 18 residues pruned to eliminate duplicates F: 26 52.286 2.276 0.856 0.944 1.000 0.560 CA 1.714 26 residues pruned to eliminate duplicates G: 16 22.916 1.905 0.585 0.925 0.933 0.867 CB 1.474 H: 25 45.206 2.268 0.742 0.949 0.958 0.667 CB 1.682 25 residues pruned to eliminate duplicates I: 15 21.855 2.133 0.330 0.901 0.929 0.857 CA 1.582 17 residues pruned to eliminate duplicates J: 15 33.664 2.047 0.964 0.922 1.000 0.357 CB 1.574 K: 17 21.430 1.952 0.431 0.878 0.938 0.750 CB 1.485 L: 20 20.027 1.869 0.979 0.942 0.842 0.526 CB 1.023 M: 11 16.252 2.061 0.066 0.842 1.000 0.600 CB 1.742 N: 10 11.493 1.835 0.300 0.823 0.889 0.556 CA 1.366 O: 19 21.922 1.926 0.876 0.932 0.944 0.556 CB 1.057 19 residues pruned to eliminate duplicates P: 25 16.357 1.791 0.809 0.885 0.750 0.375 CB 0.992 20 residues pruned to eliminate duplicates Q: 26 52.187 2.287 0.952 0.914 0.960 0.720 CA 1.722 26 residues pruned to eliminate duplicates R: 11 16.903 2.081 0.234 0.802 0.900 0.600 CA 1.776 11 residues pruned to eliminate duplicates S: 26 16.852 1.862 0.395 0.820 0.880 0.720 CB 1.116 10 residues pruned to eliminate duplicates T: 14 32.628 2.159 0.852 0.926 1.000 0.692 CB 1.587 14 residues pruned to eliminate duplicates U: 27 49.908 2.255 0.933 0.917 0.962 0.346 CB 1.648 27 residues pruned to eliminate duplicates V: 15 20.778 2.086 0.125 0.890 1.000 0.786 CB 1.702 W: 27 54.209 2.213 1.161 0.928 0.962 0.577 CA 1.619 27 residues pruned to eliminate duplicates X: 24 44.468 2.332 0.898 0.912 0.913 0.261 CB 1.625 24 residues pruned to eliminate duplicates Y: 11 16.649 1.940 0.285 0.894 1.000 0.800 O 1.515 Z: 24 55.468 2.347 1.014 0.950 0.957 0.739 CB 1.764 24 residues pruned to eliminate duplicates Z: 30 24.628 2.054 0.497 0.694 0.828 0.621 CB 1.505 30 residues pruned to eliminate duplicates Z: 15 24.973 2.035 0.388 0.911 1.000 0.857 CB 1.674 15 residues pruned to eliminate duplicates Z: 17 22.035 1.959 0.372 0.867 0.938 0.812 CA 1.599 17 residues pruned to eliminate duplicates Z: 28 43.930 2.170 1.142 0.857 0.889 0.481 CB 1.507 28 residues pruned to eliminate duplicates Z: 10 13.452 2.165 0.059 0.880 1.000 0.778 CB 1.417 10 residues pruned to eliminate duplicates Z: 16 23.706 1.972 0.502 0.881 1.000 0.733 CB 1.497 16 residues pruned to eliminate duplicates Z: 10 12.979 1.960 0.158 0.864 1.000 0.778 O 1.397 10 residues pruned to eliminate duplicates Z: 14 17.937 1.990 0.368 0.923 0.923 0.846 CB 1.392 10 residues pruned to eliminate duplicates Z: 11 15.198 2.071 0.437 0.700 0.800 0.300 CA 1.682 11 residues pruned to eliminate duplicates Z: 16 26.778 2.014 0.545 0.891 1.000 0.667 CB 1.597 17 residues pruned to eliminate duplicates Z: 14 17.112 1.965 0.352 0.916 0.923 0.769 CB 1.366 Z: 25 62.164 2.314 1.141 0.961 1.000 0.750 CB 1.753 26 residues pruned to eliminate duplicates Z: 15 20.003 2.014 0.412 0.888 0.857 0.429 CB 1.580 15 residues pruned to eliminate duplicates Z: 16 20.808 2.025 0.416 0.889 0.867 0.600 CB 1.556 16 residues pruned to eliminate duplicates Z: 13 13.512 1.920 0.240 0.935 1.000 1.000 CB 1.142 13 residues pruned to eliminate duplicates Z: 15 34.200 2.090 0.980 0.916 1.000 0.643 CB 1.560 15 residues pruned to eliminate duplicates Z: 16 26.265 1.998 0.686 0.898 1.000 0.933 CB 1.440 16 residues pruned to eliminate duplicates Z: 14 21.659 2.004 0.618 0.936 1.000 0.692 CB 1.290 14 residues pruned to eliminate duplicates Z: 13 13.055 1.910 0.082 0.909 1.000 0.917 CB 1.293 12 residues pruned to eliminate duplicates Z: 14 19.052 2.010 0.399 0.906 1.000 0.692 CB 1.336 14 residues pruned to eliminate duplicates Z: 15 22.343 1.978 0.547 0.923 1.000 0.929 CB 1.372 15 residues pruned to eliminate duplicates Z: 16 22.109 1.988 0.469 0.902 0.933 0.800 CA 1.493 16 residues pruned to eliminate duplicates Z: 15 17.767 1.940 0.501 0.900 0.929 0.857 CB 1.255 15 residues pruned to eliminate duplicates Z: 11 12.619 1.777 0.506 0.751 0.900 0.400 CA 1.325 11 residues pruned to eliminate duplicates Z: 14 25.883 2.141 0.579 0.897 0.923 0.692 CB 1.648 14 residues pruned to eliminate duplicates Z: 10 13.690 1.867 0.396 0.807 0.889 0.333 CB 1.508 10 residues pruned to eliminate duplicates Z: 15 25.660 2.100 0.569 0.899 0.929 0.786 CA 1.603 14 residues pruned to eliminate duplicates Z: 9 11.177 2.172 0.605 0.824 0.625 0.500 CB 1.370 8 residues pruned to eliminate duplicates Z: 16 15.373 1.933 0.042 0.903 0.933 0.933 CA 1.505 16 residues pruned to eliminate duplicates Z: 24 46.601 2.323 0.892 0.916 0.913 0.304 CB 1.710 24 residues pruned to eliminate duplicates Z: 15 22.323 2.085 0.642 0.882 0.786 0.500 CB 1.604 15 residues pruned to eliminate duplicates Z: 16 23.742 1.968 0.478 0.911 1.000 0.933 CB 1.494 16 residues pruned to eliminate duplicates Z: 15 28.476 2.100 0.551 0.903 1.000 0.571 CB 1.665 16 residues pruned to eliminate duplicates Z: 8 6.546 1.740 0.266 0.768 1.000 0.429 CB 0.886 Z: 15 16.539 1.905 0.297 0.909 1.000 0.786 CB 1.270 15 residues pruned to eliminate duplicates Z: 7 5.411 1.486 0.382 0.506 1.000 0.667 N 1.069 Z: 15 28.472 2.072 0.660 0.919 0.929 0.571 CB 1.678 15 residues pruned to eliminate duplicates Z: 26 49.678 2.295 0.838 0.932 0.960 0.760 CA 1.713 26 residues pruned to eliminate duplicates Z: 16 25.432 1.989 0.522 0.888 1.000 0.600 CA 1.564 16 residues pruned to eliminate duplicates Z: 25 54.032 2.321 0.946 0.936 0.958 0.667 CA 1.775 25 residues pruned to eliminate duplicates Z: 14 27.429 2.104 0.618 0.911 1.000 0.923 CB 1.584 14 residues pruned to eliminate duplicates Z: 15 17.235 2.002 0.259 0.865 0.929 0.714 CB 1.443 15 residues pruned to eliminate duplicates Z: 33 44.111 2.277 0.839 0.793 0.844 0.438 CB 1.708 33 residues pruned to eliminate duplicates Z: 14 28.556 2.138 0.615 0.923 1.000 0.846 CB 1.612 14 residues pruned to eliminate duplicates Z: 23 22.641 1.846 0.676 0.930 1.000 0.864 CB 1.091 23 residues pruned to eliminate duplicates Z: 26 50.102 2.278 0.850 0.944 1.000 0.800 CA 1.646 26 residues pruned to eliminate duplicates Z: 16 17.709 1.990 0.199 0.834 1.000 0.600 CB 1.437 16 residues pruned to eliminate duplicates Z: 15 22.734 2.069 0.393 0.942 1.000 0.929 CB 1.462 15 residues pruned to eliminate duplicates Z: 11 7.864 1.770 0.048 0.794 0.800 0.400 CB 1.294 11 residues pruned to eliminate duplicates Z: 10 11.438 2.075 0.133 0.881 0.889 0.667 CB 1.321 10 residues pruned to eliminate duplicates Z: 14 25.368 2.091 0.519 0.904 1.000 0.846 CB 1.578 14 residues pruned to eliminate duplicates Z: 24 54.592 2.333 0.923 0.937 1.000 0.826 CA 1.765 24 residues pruned to eliminate duplicates Z: 16 22.759 1.986 0.434 0.879 1.000 0.733 CB 1.497 16 residues pruned to eliminate duplicates Z: 15 28.032 2.072 0.695 0.904 0.929 0.929 CB 1.635 15 residues pruned to eliminate duplicates Z: 15 17.361 1.920 0.522 0.910 1.000 0.643 CB 1.126 15 residues pruned to eliminate duplicates Z: 16 20.625 1.981 0.410 0.863 0.867 0.533 CB 1.614 16 residues pruned to eliminate duplicates Z: 15 24.073 2.067 0.341 0.905 1.000 0.857 CB 1.652 15 residues pruned to eliminate duplicates Z: 32 51.177 2.314 0.907 0.810 0.935 0.484 CB 1.700 32 residues pruned to eliminate duplicates Z: 16 19.943 1.975 0.408 0.870 0.933 0.667 CB 1.448 16 residues pruned to eliminate duplicates Z: 26 50.770 2.271 0.935 0.938 0.960 0.680 CB 1.673 26 residues pruned to eliminate duplicates Z: 11 13.326 1.739 0.500 0.899 1.000 0.900 CB 1.155 Z: 28 34.132 2.103 0.618 0.779 0.926 0.519 CB 1.630 33 residues pruned to eliminate duplicates Z: 14 26.528 2.147 0.537 0.924 1.000 0.769 CB 1.566 14 residues pruned to eliminate duplicates Z: 15 18.408 1.915 0.608 0.920 1.000 0.571 CB 1.125 15 residues pruned to eliminate duplicates Z: 26 42.963 2.206 0.818 0.912 0.920 0.760 CB 1.649 26 residues pruned to eliminate duplicates Z: 14 20.237 1.980 0.457 0.914 1.000 0.769 CB 1.376 14 residues pruned to eliminate duplicates Z: 15 21.941 2.050 0.454 0.901 1.000 0.929 CA 1.404 15 residues pruned to eliminate duplicates Z: 7 5.500 1.940 0.563 0.473 0.667 0.333 CA 1.142 6 residues pruned to eliminate duplicates Z: 25 52.779 2.320 0.908 0.942 0.958 0.750 CA 1.762 25 residues pruned to eliminate duplicates Z: 11 9.388 1.695 0.215 0.921 1.000 0.900 CB 1.015 11 residues pruned to eliminate duplicates Z: 11 14.645 2.028 0.212 0.772 0.900 0.500 CB 1.645 11 residues pruned to eliminate duplicates Z: 13 29.736 2.148 0.883 0.912 0.917 0.250 N 1.639 13 residues pruned to eliminate duplicates Z: 26 49.690 2.280 0.838 0.946 0.960 0.880 CA 1.709 26 residues pruned to eliminate duplicates Z: 13 11.901 1.888 0.147 0.915 1.000 1.000 CB 1.120 13 residues pruned to eliminate duplicates Z: 26 52.324 2.280 0.872 0.954 1.000 0.840 CA 1.687 26 residues pruned to eliminate duplicates Z: 15 19.084 1.945 0.531 0.902 0.929 0.571 CB 1.315 15 residues pruned to eliminate duplicates Z: 11 9.682 1.683 0.292 0.927 1.000 0.900 CB 0.987 11 residues pruned to eliminate duplicates Z: 16 22.824 2.005 0.403 0.870 1.000 0.800 CB 1.528 16 residues pruned to eliminate duplicates Z: 16 20.806 1.971 0.864 0.738 0.867 0.333 CB 1.363 16 residues pruned to eliminate duplicates Z: 26 48.932 2.266 0.866 0.941 0.960 0.640 CB 1.673 26 residues pruned to eliminate duplicates Z: 57 38.764 2.041 0.463 0.710 0.946 0.643 CB 1.515 51 residues pruned to eliminate duplicates Z: 26 48.862 2.284 0.913 0.927 0.960 0.840 CA 1.633 26 residues pruned to eliminate duplicates Z: 14 9.819 1.820 0.175 0.558 0.923 0.385 CB 1.304 Z: 9 22.312 2.300 0.442 0.845 1.000 0.750 CA 1.769 9 residues pruned to eliminate duplicates Z: 26 49.722 2.287 0.850 0.956 0.960 0.800 CA 1.682 26 residues pruned to eliminate duplicates Z: 14 21.421 2.081 0.457 0.876 1.000 0.769 CA 1.424 14 residues pruned to eliminate duplicates Z: 27 45.110 2.215 0.818 0.907 0.962 0.808 CA 1.624 27 residues pruned to eliminate duplicates Z: 15 16.778 1.886 0.444 0.922 1.000 0.786 CB 1.158 15 residues pruned to eliminate duplicates Z: 35 36.440 2.125 0.746 0.772 0.912 0.471 CB 1.452 32 residues pruned to eliminate duplicates Z: 24 26.152 1.837 1.047 0.942 1.000 0.609 CB 1.006 25 residues pruned to eliminate duplicates Z: 14 22.976 2.094 0.400 0.931 1.000 1.000 CB 1.518 14 residues pruned to eliminate duplicates Z: 16 13.512 1.817 0.103 0.899 1.000 1.000 CB 1.245 16 residues pruned to eliminate duplicates Z: 25 54.293 2.350 1.004 0.940 0.958 0.833 CB 1.705 25 residues pruned to eliminate duplicates Z: 25 52.213 2.298 0.910 0.937 1.000 0.667 CA 1.690 25 residues pruned to eliminate duplicates Z: 15 14.847 1.943 0.210 0.854 0.929 0.500 CB 1.342 15 residues pruned to eliminate duplicates Z: 13 27.160 2.164 0.520 0.915 1.000 0.750 CB 1.684 13 residues pruned to eliminate duplicates Z: 14 10.671 1.798 0.290 0.596 0.846 0.615 CB 1.375 14 residues pruned to eliminate duplicates Z: 15 25.548 1.999 0.987 0.923 0.929 0.714 CA 1.301 15 residues pruned to eliminate duplicates Z: 19 22.714 1.908 0.953 0.944 0.944 0.444 CB 1.054 19 residues pruned to eliminate duplicates Z: 34 21.562 1.877 0.713 0.800 0.909 0.333 CB 0.988 34 residues pruned to eliminate duplicates Z: 11 4.849 1.912 0.029 0.403 0.700 0.400 CB 1.234 11 residues pruned to eliminate duplicates Z: 27 40.805 2.127 0.712 0.943 1.000 0.769 CA 1.522 27 residues pruned to eliminate duplicates Z: 77 43.200 2.020 0.653 0.714 0.895 0.526 CB 1.367 89 residues pruned to eliminate duplicates Z: 28 26.234 2.090 0.618 0.648 0.889 0.407 CB 1.463 28 residues pruned to eliminate duplicates Z: 24 21.156 1.856 0.765 0.941 0.957 0.435 CB 0.977 24 residues pruned to eliminate duplicates Z: 20 17.298 1.863 0.697 0.730 0.842 0.474 CB 1.213 Z: 13 22.166 1.930 0.955 0.907 1.000 0.833 CB 1.205 13 residues pruned to eliminate duplicates Z: 8 4.186 1.637 0.519 0.433 0.714 0.286 CA 0.955 Z: 15 25.735 1.980 0.696 0.920 1.000 0.714 CB 1.442 20 residues pruned to eliminate duplicates Z: 26 52.137 2.291 0.899 0.951 1.000 0.800 CA 1.652 26 residues pruned to eliminate duplicates Z: 10 11.904 1.846 0.543 0.766 0.889 0.667 CB 1.238 10 residues pruned to eliminate duplicates Z: 15 10.016 1.835 0.277 0.632 0.857 0.571 CB 1.177 22 residues pruned to eliminate duplicates Z: 6 5.386 1.810 0.101 0.418 1.000 0.800 CA 1.316 6 residues pruned to eliminate duplicates Z: 7 9.606 1.977 0.128 0.804 1.000 0.667 CA 1.349 7 residues pruned to eliminate duplicates Z: 15 35.919 2.068 1.045 0.942 1.000 0.929 CB 1.574 15 residues pruned to eliminate duplicates Z: 7 6.539 1.929 0.158 0.501 0.833 0.167 CA 1.432 7 residues pruned to eliminate duplicates Z: 15 23.767 2.076 0.415 0.909 1.000 0.857 CA 1.534 15 residues pruned to eliminate duplicates Z: 6 4.609 1.832 0.009 0.835 1.000 0.400 CB 0.835 Z: 55 40.688 2.070 0.560 0.703 0.963 0.574 CB 1.481 59 residues pruned to eliminate duplicates Z: 17 8.838 1.906 0.473 0.583 0.625 0.438 CB 1.163 17 residues pruned to eliminate duplicates Z: 38 35.010 2.105 0.724 0.764 0.892 0.459 CB 1.407 38 residues pruned to eliminate duplicates Z: 7 9.211 1.810 0.443 0.876 1.000 0.833 CB 1.046 Z: 12 22.722 1.933 1.044 0.921 1.000 0.545 CB 1.220 12 residues pruned to eliminate duplicates Z: 16 25.965 2.038 0.423 0.910 1.000 0.733 CA 1.640 16 residues pruned to eliminate duplicates Z: 15 16.749 2.068 0.234 0.873 0.857 0.786 CA 1.491 15 residues pruned to eliminate duplicates Z: 25 25.725 1.860 1.007 0.947 1.000 0.500 CB 0.972 58 residues pruned to eliminate duplicates Z: 25 55.496 2.248 1.230 0.950 0.958 0.458 CB 1.626 25 residues pruned to eliminate duplicates Z: 26 47.023 2.250 0.827 0.904 0.960 0.760 CA 1.696 26 residues pruned to eliminate duplicates Z: 15 21.958 1.963 0.703 0.922 1.000 0.714 CB 1.234 15 residues pruned to eliminate duplicates Z: 7 5.602 1.814 -0.022 0.457 1.000 0.500 CA 1.347 7 residues pruned to eliminate duplicates Z: 70 41.689 2.076 0.482 0.706 0.899 0.536 CB 1.505 67 residues pruned to eliminate duplicates Z: 10 13.793 1.991 0.378 0.843 0.778 0.556 O 1.604 10 residues pruned to eliminate duplicates Z: 6 8.294 1.750 0.201 0.832 1.000 0.600 CB 1.326 6 residues pruned to eliminate duplicates Z: 23 20.838 1.811 0.520 0.930 1.000 0.909 CB 1.129 Z: 21 18.139 1.840 0.649 0.925 0.900 0.750 CB 1.042 44 residues pruned to eliminate duplicates Z: 23 27.477 1.883 1.145 0.956 1.000 0.545 CB 0.996 Z: 56 28.714 1.884 0.748 0.730 0.891 0.236 CB 1.073 56 residues pruned to eliminate duplicates Z: 15 25.651 1.961 0.853 0.913 1.000 0.429 CB 1.335 15 residues pruned to eliminate duplicates Z: 10 18.412 2.130 0.586 0.766 0.889 0.222 CA 1.614 10 residues pruned to eliminate duplicates Z: 6 10.052 1.934 0.440 0.886 1.000 0.800 CB 1.164 6 residues pruned to eliminate duplicates Z: 14 19.363 2.050 0.321 0.841 0.923 0.692 CA 1.602 14 residues pruned to eliminate duplicates Z: 24 60.112 2.341 1.046 0.947 1.000 0.609 CA 1.809 24 residues pruned to eliminate duplicates Z: 20 21.267 1.881 0.938 0.941 0.947 0.579 CB 0.981 20 residues pruned to eliminate duplicates Z: 14 21.518 2.106 0.543 0.911 1.000 0.308 CB 1.301 14 residues pruned to eliminate duplicates Z: 24 19.189 1.815 0.698 0.914 0.957 0.826 CB 0.960 24 residues pruned to eliminate duplicates Z: 11 5.686 1.514 0.593 0.521 0.800 0.400 CB 0.913 Z: 15 35.034 2.112 0.990 0.933 1.000 0.714 CB 1.555 15 residues pruned to eliminate duplicates Z: 10 10.229 1.969 0.283 0.817 0.778 0.556 CB 1.318 10 residues pruned to eliminate duplicates Z: 38 40.426 2.116 0.858 0.723 0.865 0.595 CB 1.597 38 residues pruned to eliminate duplicates Z: 26 20.888 1.777 0.749 0.885 0.920 0.760 CB 1.054 26 residues pruned to eliminate duplicates Z: 14 19.588 1.900 0.580 0.880 1.000 0.615 CB 1.311 14 residues pruned to eliminate duplicates Z: 64 41.437 2.028 0.767 0.808 0.889 0.381 CB 1.253 75 residues pruned to eliminate duplicates Z: 19 20.609 1.936 0.820 0.943 0.944 0.778 CB 1.012 19 residues pruned to eliminate duplicates Z: 15 24.532 1.976 0.662 0.930 1.000 0.857 CB 1.396 15 residues pruned to eliminate duplicates Z: 90 47.324 2.066 0.500 0.733 0.910 0.663 CB 1.442 90 residues pruned to eliminate duplicates Z: 10 8.298 2.010 0.038 0.565 0.889 0.556 CA 1.400 Z: 11 12.411 1.852 0.508 0.807 0.800 0.400 CA 1.344 11 residues pruned to eliminate duplicates Z: 11 12.302 1.736 0.369 0.904 1.000 0.900 CB 1.166 11 residues pruned to eliminate duplicates Z: 34 47.368 2.268 0.867 0.813 0.939 0.485 CB 1.579 44 residues pruned to eliminate duplicates Z: 14 19.544 1.987 0.447 0.901 0.923 0.615 CB 1.459 14 residues pruned to eliminate duplicates Z: 20 17.329 1.886 0.577 0.942 0.947 0.684 CB 0.978 20 residues pruned to eliminate duplicates Z: 15 22.255 1.997 0.406 0.899 1.000 0.714 CB 1.514 15 residues pruned to eliminate duplicates Z: 10 12.301 1.732 0.480 0.856 1.000 0.556 CB 1.180 10 residues pruned to eliminate duplicates Z: 25 20.898 1.805 0.733 0.927 0.958 0.667 CB 0.997 25 residues pruned to eliminate duplicates Z: 7 11.509 1.824 0.494 0.842 1.000 0.833 CB 1.285 7 residues pruned to eliminate duplicates Z: 16 16.957 1.902 0.311 0.874 0.933 0.800 CB 1.369 16 residues pruned to eliminate duplicates Z: 14 8.409 1.812 0.169 0.585 0.846 0.462 CB 1.199 14 residues pruned to eliminate duplicates Z: 12 13.056 1.738 0.323 0.810 0.909 0.727 CB 1.437 12 residues pruned to eliminate duplicates Z: 24 47.761 2.296 1.039 0.921 0.870 0.652 CB 1.722 24 residues pruned to eliminate duplicates Z: 9 16.951 1.920 0.566 0.830 1.000 0.625 CA 1.499 9 residues pruned to eliminate duplicates Z: 21 7.394 1.562 0.339 0.428 0.800 0.450 CB 1.065 15 residues pruned to eliminate duplicates Z: 8 5.585 1.822 0.337 0.823 0.857 0.571 CB 0.764 8 residues pruned to eliminate duplicates Z: 40 24.700 1.924 0.435 0.811 0.923 0.744 CB 1.184 40 residues pruned to eliminate duplicates Z: 8 4.454 1.790 0.245 0.279 0.857 0.714 CB 1.130 8 residues pruned to eliminate duplicates Z: 89 42.964 1.980 0.611 0.719 0.920 0.557 CB 1.279 89 residues pruned to eliminate duplicates Z: 8 10.374 1.887 0.307 0.813 1.000 0.571 CB 1.211 10 residues pruned to eliminate duplicates Z: 11 7.935 1.625 0.411 0.580 0.800 0.400 CA 1.266 Z: 31 15.590 1.640 0.378 0.749 0.967 0.667 CB 1.043 42 residues pruned to eliminate duplicates Z: 30 9.699 1.533 0.258 0.545 0.828 0.552 CB 1.080 34 residues pruned to eliminate duplicates Z: 24 48.074 2.276 0.933 0.916 0.957 0.826 CA 1.683 24 residues pruned to eliminate duplicates Z: 10 10.455 1.839 0.670 0.769 0.667 0.444 CB 1.341 8 residues pruned to eliminate duplicates Z: 11 14.360 1.746 0.624 0.891 1.000 0.500 CB 1.151 11 residues pruned to eliminate duplicates Z: 16 24.172 1.947 0.755 0.816 1.000 0.200 CB 1.388 16 residues pruned to eliminate duplicates Z: 15 22.189 1.875 0.935 0.929 1.000 0.357 CB 1.144 15 residues pruned to eliminate duplicates Z: 16 25.433 2.020 0.629 0.916 0.933 0.667 CB 1.510 16 residues pruned to eliminate duplicates Z: 10 14.001 1.816 0.368 0.817 1.000 0.444 CB 1.427 10 residues pruned to eliminate duplicates Z: 11 18.298 2.201 0.574 0.626 1.000 0.800 CA 1.484 11 residues pruned to eliminate duplicates Z: 12 11.617 1.695 0.620 0.903 0.909 0.455 CB 1.000 12 residues pruned to eliminate duplicates Z: 13 5.234 1.559 0.331 0.335 0.750 0.167 CA 1.163 13 residues pruned to eliminate duplicates Z: 14 17.357 1.885 0.587 0.877 1.000 0.846 CB 1.168 14 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 17 6.088 1.603 0.027 0.443 0.812 0.438 CB 1.207 17 residues pruned to eliminate duplicates Z: 17 5.568 1.727 -0.062 0.401 0.812 0.438 CB 1.174 17 residues pruned to eliminate duplicates Z: 14 6.167 1.806 0.200 0.438 0.769 0.385 CB 1.094 14 residues pruned to eliminate duplicates Z: 13 7.779 1.871 0.137 0.433 0.833 0.417 CB 1.357 13 residues pruned to eliminate duplicates Z: 25 15.234 1.735 0.365 0.646 0.958 0.583 CB 1.196 27 residues pruned to eliminate duplicates Z: 8 8.561 1.789 0.328 0.706 0.857 0.571 CB 1.318 8 residues pruned to eliminate duplicates Z: 27 14.659 1.705 0.298 0.639 0.885 0.615 CB 1.289 25 residues pruned to eliminate duplicates Z: 6 5.014 1.813 -0.043 0.834 0.800 0.400 CB 1.211 6 residues pruned to eliminate duplicates Z: 14 11.759 1.868 0.327 0.590 0.846 0.538 CB 1.427 14 residues pruned to eliminate duplicates Z: 23 12.439 1.754 0.118 0.561 1.000 0.545 CB 1.274 23 residues pruned to eliminate duplicates Z: 26 13.832 1.693 0.159 0.675 0.960 0.640 CB 1.250 26 residues pruned to eliminate duplicates Z: 21 11.224 1.682 0.258 0.532 0.950 0.400 CB 1.209 21 residues pruned to eliminate duplicates Z: 8 7.164 1.890 0.666 0.648 0.571 0.429 CB 1.311 8 residues pruned to eliminate duplicates Z: 8 13.125 1.872 0.667 0.655 1.000 0.143 CB 1.376 7 residues pruned to eliminate duplicates Z: 10 8.186 1.789 0.352 0.668 0.778 0.333 CB 1.242 10 residues pruned to eliminate duplicates Z: 7 9.543 2.028 0.621 0.683 0.667 0.167 CB 1.503 7 residues pruned to eliminate duplicates Z: 7 9.504 2.068 0.303 0.539 0.833 0.167 CB 1.663 7 residues pruned to eliminate duplicates Z: 18 11.227 1.709 0.596 0.543 0.765 0.471 CB 1.251 18 residues pruned to eliminate duplicates Z: 10 15.495 1.965 0.595 0.739 0.889 0.333 CB 1.496 11 residues pruned to eliminate duplicates Z: 11 14.781 1.830 0.491 0.809 1.000 0.400 CA 1.308 11 residues pruned to eliminate duplicates Z: 10 12.545 1.835 0.481 0.816 0.889 0.444 CB 1.316 10 residues pruned to eliminate duplicates Z: 24 18.217 1.872 0.553 0.720 0.870 0.565 CB 1.231 22 residues pruned to eliminate duplicates Z: 26 20.612 1.899 0.369 0.840 0.960 0.720 CB 1.233 26 residues pruned to eliminate duplicates Z: 14 11.980 1.934 0.413 0.749 0.923 0.615 CB 1.054 14 residues pruned to eliminate duplicates Z: 26 18.047 1.920 0.347 0.793 0.920 0.640 CB 1.173 26 residues pruned to eliminate duplicates Z: 11 9.575 1.882 0.142 0.913 1.000 0.700 CB 0.997 11 residues pruned to eliminate duplicates Z: 22 17.906 1.951 0.371 0.770 0.905 0.571 CB 1.272 22 residues pruned to eliminate duplicates Z: 24 18.238 1.949 0.378 0.785 0.870 0.652 CB 1.266 24 residues pruned to eliminate duplicates Z: 16 16.020 1.924 0.570 0.777 0.867 0.267 CB 1.237 16 residues pruned to eliminate duplicates Z: 29 20.100 1.810 0.680 0.705 0.893 0.607 CB 1.162 28 residues pruned to eliminate duplicates Z: 15 17.314 1.859 0.580 0.890 1.000 0.643 CB 1.133 15 residues pruned to eliminate duplicates Z: 22 14.605 1.830 0.649 0.645 0.762 0.476 CB 1.211 22 residues pruned to eliminate duplicates Z: 18 18.347 1.874 0.737 0.794 0.941 0.588 CB 1.123 19 residues pruned to eliminate duplicates Z: 15 22.694 1.921 0.924 0.916 1.000 0.714 CB 1.159 15 residues pruned to eliminate duplicates Z: 14 22.629 1.867 1.072 0.893 1.000 0.692 CB 1.164 14 residues pruned to eliminate duplicates Z: 14 18.229 1.823 1.061 0.787 0.846 0.615 CB 1.236 14 residues pruned to eliminate duplicates Z: 26 23.959 1.918 0.767 0.799 0.840 0.720 CB 1.295 26 residues pruned to eliminate duplicates Z: 13 18.874 1.858 0.756 0.917 1.000 0.917 CB 1.179 13 residues pruned to eliminate duplicates Z: 33 48.104 2.317 0.862 0.797 0.938 0.531 CB 1.620 33 residues pruned to eliminate duplicates Z: 36 41.499 2.189 0.847 0.792 0.914 0.371 CB 1.468 36 residues pruned to eliminate duplicates Z: 67 49.252 2.115 0.735 0.780 0.894 0.455 CB 1.443 67 residues pruned to eliminate duplicates Z: 104 58.563 2.097 0.723 0.732 0.903 0.427 CB 1.436 104 residues pruned to eliminate duplicates Z: 13 9.549 1.589 0.156 0.754 1.000 0.833 CB 1.197 13 residues pruned to eliminate duplicates Z: 7 8.927 1.812 0.128 0.862 1.000 0.833 CB 1.309 7 residues pruned to eliminate duplicates Z: 12 10.199 1.640 0.296 0.830 0.909 0.727 CB 1.196 12 residues pruned to eliminate duplicates Z: 12 9.548 1.620 0.419 0.778 0.909 0.636 CB 1.078 12 residues pruned to eliminate duplicates Z: 26 12.381 1.666 0.264 0.641 0.880 0.560 CB 1.171 26 residues pruned to eliminate duplicates Z: 11 11.173 1.735 0.316 0.887 1.000 0.600 CB 1.116 11 residues pruned to eliminate duplicates Z: 11 11.819 1.756 0.411 0.903 0.900 0.800 CB 1.195 11 residues pruned to eliminate duplicates Z: 12 12.169 1.670 0.693 0.840 0.909 0.909 CB 1.066 13 residues pruned to eliminate duplicates Z: 11 15.878 1.751 0.919 0.897 1.000 0.500 CB 1.070 11 residues pruned to eliminate duplicates Z: 17 23.521 1.976 0.558 0.870 1.000 0.812 CB 1.394 17 residues pruned to eliminate duplicates Z: 40 36.102 2.076 0.606 0.758 0.949 0.667 CB 1.453 63 residues pruned to eliminate duplicates Z: 16 25.520 2.062 0.715 0.865 0.933 0.667 CA 1.462 16 residues pruned to eliminate duplicates Z: 40 33.234 2.093 0.564 0.711 0.897 0.590 CB 1.495 40 residues pruned to eliminate duplicates Z: 41 34.552 2.081 0.615 0.769 0.900 0.600 CB 1.424 41 residues pruned to eliminate duplicates Z: 16 27.251 2.081 1.032 0.798 0.867 0.533 CB 1.479 16 residues pruned to eliminate duplicates Z: 41 35.513 2.096 0.663 0.753 0.900 0.550 CB 1.428 41 residues pruned to eliminate duplicates Z: 36 33.924 2.093 0.706 0.730 0.914 0.571 CB 1.429 36 residues pruned to eliminate duplicates Z: 40 35.775 2.096 0.702 0.717 0.872 0.410 CB 1.514 40 residues pruned to eliminate duplicates Z: 54 39.893 2.058 0.665 0.809 0.887 0.566 CB 1.378 54 residues pruned to eliminate duplicates Z: 47 36.833 2.066 0.608 0.790 0.935 0.630 CB 1.356 47 residues pruned to eliminate duplicates Z: 41 40.507 2.096 0.686 0.785 0.950 0.650 CB 1.485 40 residues pruned to eliminate duplicates Z: 15 38.124 2.089 1.123 0.932 1.000 0.571 CB 1.604 16 residues pruned to eliminate duplicates Z: 15 40.367 2.179 1.153 0.922 1.000 0.571 CB 1.617 15 residues pruned to eliminate duplicates Z: 37 34.936 2.056 0.707 0.723 0.944 0.417 CB 1.437 37 residues pruned to eliminate duplicates Z: 35 38.687 2.091 0.837 0.776 0.912 0.676 CB 1.484 35 residues pruned to eliminate duplicates Z: 39 39.021 2.056 0.779 0.745 0.921 0.632 CB 1.510 39 residues pruned to eliminate duplicates Z: 40 35.806 2.090 0.708 0.693 0.897 0.436 CB 1.500 40 residues pruned to eliminate duplicates Z: 51 30.167 1.963 0.525 0.793 0.920 0.500 CB 1.198 51 residues pruned to eliminate duplicates Z: 31 43.029 2.135 0.869 0.844 0.967 0.433 CB 1.516 31 residues pruned to eliminate duplicates Z: 42 36.189 2.055 0.690 0.706 0.927 0.585 CB 1.457 42 residues pruned to eliminate duplicates Z: 38 39.975 2.127 0.768 0.751 0.946 0.541 CB 1.476 38 residues pruned to eliminate duplicates Z: 26 20.736 2.030 0.463 0.695 0.880 0.600 CB 1.329 26 residues pruned to eliminate duplicates Z: 43 29.175 1.951 0.557 0.819 0.929 0.690 CB 1.210 43 residues pruned to eliminate duplicates Z: 56 40.272 2.021 0.652 0.807 0.964 0.618 CB 1.291 56 residues pruned to eliminate duplicates Z: 55 41.116 2.035 0.675 0.811 0.926 0.556 CB 1.352 55 residues pruned to eliminate duplicates Z: 41 32.831 2.063 0.673 0.764 0.875 0.550 CB 1.360 41 residues pruned to eliminate duplicates Z: 41 41.262 2.068 0.831 0.783 0.950 0.575 CB 1.414 41 residues pruned to eliminate duplicates Z: 41 36.141 2.076 0.704 0.784 0.900 0.600 CB 1.398 41 residues pruned to eliminate duplicates Z: 38 33.245 1.980 0.761 0.754 0.919 0.324 CB 1.360 38 residues pruned to eliminate duplicates Z: 55 37.527 2.024 0.645 0.804 0.907 0.463 CB 1.296 55 residues pruned to eliminate duplicates Z: 26 17.456 1.988 0.432 0.726 0.840 0.480 CB 1.191 26 residues pruned to eliminate duplicates Z: 16 7.603 1.864 0.033 0.647 0.733 0.667 CB 1.212 16 residues pruned to eliminate duplicates Z: 38 29.716 2.072 0.718 0.716 0.838 0.351 CB 1.347 38 residues pruned to eliminate duplicates Z: 40 36.467 2.084 0.756 0.773 0.872 0.436 CB 1.437 40 residues pruned to eliminate duplicates Z: 40 32.498 2.069 0.601 0.771 0.872 0.359 CB 1.418 40 residues pruned to eliminate duplicates Z: 35 40.834 2.158 0.878 0.760 0.912 0.353 CB 1.504 35 residues pruned to eliminate duplicates Z: 19 16.923 1.906 0.332 0.790 1.000 0.833 CB 1.218 19 residues pruned to eliminate duplicates Z: 72 43.754 2.035 0.646 0.729 0.915 0.563 CB 1.377 72 residues pruned to eliminate duplicates Z: 35 24.908 1.934 0.333 0.781 1.000 0.706 CB 1.294 35 residues pruned to eliminate duplicates Z: 93 56.228 2.077 0.626 0.737 0.946 0.598 CB 1.484 93 residues pruned to eliminate duplicates Z: 47 30.634 1.968 0.420 0.709 0.913 0.565 CB 1.464 47 residues pruned to eliminate duplicates Z: 35 29.227 1.981 0.550 0.761 0.971 0.559 CB 1.334 35 residues pruned to eliminate duplicates Z: 35 23.853 1.932 0.344 0.768 0.971 0.618 CB 1.280 35 residues pruned to eliminate duplicates Z: 71 41.616 2.015 0.701 0.731 0.886 0.500 CB 1.330 71 residues pruned to eliminate duplicates Z: 73 40.830 1.976 0.669 0.695 0.903 0.639 CB 1.352 73 residues pruned to eliminate duplicates Z: 106 61.911 2.106 0.648 0.745 0.952 0.562 CB 1.468 105 residues pruned to eliminate duplicates Z: 14 21.211 2.009 0.539 0.919 1.000 0.769 CB 1.340 14 residues pruned to eliminate duplicates Z: 72 44.424 2.029 0.663 0.742 0.901 0.423 CB 1.395 72 residues pruned to eliminate duplicates Z: 72 43.771 2.013 0.665 0.733 0.944 0.521 CB 1.332 72 residues pruned to eliminate duplicates Z: 94 52.551 2.053 0.581 0.745 0.957 0.656 CB 1.410 94 residues pruned to eliminate duplicates Z: 44 24.487 1.910 0.418 0.623 0.907 0.558 CB 1.354 44 residues pruned to eliminate duplicates Z: 58 32.396 1.985 0.577 0.689 0.895 0.526 CB 1.288 58 residues pruned to eliminate duplicates Z: 33 29.113 1.986 0.573 0.788 0.969 0.375 CB 1.321 33 residues pruned to eliminate duplicates Z: 104 60.284 2.113 0.609 0.753 0.942 0.592 CB 1.480 104 residues pruned to eliminate duplicates Z: 69 53.291 2.107 0.659 0.797 0.971 0.706 CB 1.469 69 residues pruned to eliminate duplicates Z: 48 29.705 1.937 0.566 0.679 0.915 0.553 CB 1.325 48 residues pruned to eliminate duplicates Z: 48 26.732 1.938 0.442 0.666 0.894 0.468 CB 1.340 48 residues pruned to eliminate duplicates Z: 70 51.157 2.094 0.652 0.754 0.942 0.652 CB 1.506 70 residues pruned to eliminate duplicates Z: 68 49.384 2.088 0.626 0.767 0.970 0.552 CB 1.445 68 residues pruned to eliminate duplicates Z: 35 27.869 1.933 0.526 0.777 0.941 0.441 CB 1.348 35 residues pruned to eliminate duplicates Z: 34 30.286 2.004 0.459 0.799 1.000 0.515 CB 1.388 34 residues pruned to eliminate duplicates Z: 91 54.030 2.094 0.638 0.728 0.944 0.567 CB 1.432 91 residues pruned to eliminate duplicates Z: 105 54.449 2.055 0.641 0.732 0.913 0.615 CB 1.407 105 residues pruned to eliminate duplicates Z: 57 36.971 1.981 0.597 0.732 0.929 0.411 CB 1.365 57 residues pruned to eliminate duplicates Z: 72 48.673 2.031 0.784 0.728 0.944 0.493 CB 1.376 72 residues pruned to eliminate duplicates Z: 15 20.728 1.998 0.578 0.888 0.929 0.500 CB 1.364 15 residues pruned to eliminate duplicates Z: 42 52.637 2.213 0.773 0.835 0.927 0.756 CB 1.694 42 residues pruned to eliminate duplicates Z: 72 47.566 2.025 0.779 0.747 0.915 0.521 CB 1.373 72 residues pruned to eliminate duplicates Z: 16 20.653 2.012 0.457 0.842 0.933 0.600 CB 1.453 16 residues pruned to eliminate duplicates Z: 53 46.088 2.094 0.665 0.782 0.962 0.731 CB 1.487 53 residues pruned to eliminate duplicates Z: 32 46.048 2.315 0.712 0.818 0.935 0.774 CB 1.692 32 residues pruned to eliminate duplicates Z: 52 46.537 2.167 0.701 0.750 0.902 0.608 CB 1.567 52 residues pruned to eliminate duplicates Z: 34 45.710 2.282 0.838 0.788 0.909 0.545 CB 1.620 34 residues pruned to eliminate duplicates Z: 76 50.593 2.093 0.748 0.724 0.907 0.600 CB 1.438 76 residues pruned to eliminate duplicates Z: 48 42.446 2.162 0.762 0.745 0.830 0.468 CB 1.573 48 residues pruned to eliminate duplicates Z: 36 42.488 2.186 0.794 0.758 0.943 0.514 CB 1.544 36 residues pruned to eliminate duplicates Z: 34 49.313 2.291 0.831 0.811 0.970 0.667 CB 1.610 34 residues pruned to eliminate duplicates Z: 27 50.946 2.305 0.944 0.843 0.962 0.423 CB 1.727 27 residues pruned to eliminate duplicates Z: 69 54.283 2.096 0.781 0.773 0.941 0.574 CB 1.472 69 residues pruned to eliminate duplicates Z: 68 57.837 2.118 0.847 0.788 0.955 0.567 CB 1.469 68 residues pruned to eliminate duplicates Z: 97 60.733 2.091 0.795 0.764 0.885 0.469 CB 1.476 97 residues pruned to eliminate duplicates Z: 33 49.482 2.279 0.895 0.842 0.906 0.531 CB 1.666 33 residues pruned to eliminate duplicates Z: 91 53.884 2.096 0.668 0.735 0.922 0.556 CB 1.426 91 residues pruned to eliminate duplicates Z: 66 54.487 2.148 0.739 0.787 0.938 0.523 CB 1.498 66 residues pruned to eliminate duplicates Z: 33 51.549 2.295 0.976 0.834 0.938 0.656 CB 1.607 33 residues pruned to eliminate duplicates Z: 69 54.200 2.115 0.702 0.774 0.971 0.603 CB 1.476 69 residues pruned to eliminate duplicates Z: 96 59.581 2.078 0.786 0.724 0.926 0.442 CB 1.452 96 residues pruned to eliminate duplicates Z: 92 49.081 2.047 0.748 0.717 0.846 0.440 CB 1.396 92 residues pruned to eliminate duplicates Z: 34 46.694 2.295 0.784 0.801 0.939 0.364 CB 1.624 34 residues pruned to eliminate duplicates Z: 106 64.172 2.111 0.775 0.766 0.914 0.581 CB 1.444 104 residues pruned to eliminate duplicates Z: 24 61.737 2.364 1.141 0.953 0.957 0.522 CB 1.830 24 residues pruned to eliminate duplicates Z: 107 66.264 2.104 0.799 0.756 0.934 0.472 CB 1.449 107 residues pruned to eliminate duplicates Z: 40 36.448 2.145 0.860 0.696 0.795 0.359 CB 1.538 40 residues pruned to eliminate duplicates Z: 72 49.255 2.082 0.746 0.722 0.930 0.451 CB 1.416 72 residues pruned to eliminate duplicates Z: 101 63.175 2.080 0.862 0.748 0.920 0.380 CB 1.421 101 residues pruned to eliminate duplicates Z: 87 58.247 2.082 0.821 0.742 0.919 0.558 CB 1.452 87 residues pruned to eliminate duplicates Z: 43 33.883 2.077 0.752 0.658 0.857 0.190 CB 1.447 43 residues pruned to eliminate duplicates Z: 14 10.916 1.883 0.418 0.588 0.846 0.538 CA 1.232 14 residues pruned to eliminate duplicates Z: 14 9.190 1.887 0.255 0.429 0.923 0.231 CA 1.255 14 residues pruned to eliminate duplicates Z: 36 22.363 1.944 0.502 0.579 0.914 0.486 CB 1.312 36 residues pruned to eliminate duplicates Z: 34 20.981 1.961 0.380 0.663 0.879 0.515 CB 1.321 34 residues pruned to eliminate duplicates Z: 29 22.553 2.003 0.356 0.690 0.929 0.750 CA 1.420 29 residues pruned to eliminate duplicates Z: 61 34.883 2.056 0.491 0.649 0.883 0.500 CB 1.447 61 residues pruned to eliminate duplicates Z: 14 12.470 1.824 0.471 0.685 0.923 0.462 CB 1.179 14 residues pruned to eliminate duplicates Z: 82 45.390 2.008 0.825 0.667 0.852 0.469 CB 1.385 82 residues pruned to eliminate duplicates Z: 30 20.278 1.980 0.322 0.689 0.862 0.517 CB 1.404 30 residues pruned to eliminate duplicates Z: 53 40.869 2.059 0.749 0.694 0.865 0.615 CB 1.523 53 residues pruned to eliminate duplicates Z: 58 35.142 2.032 0.497 0.671 0.877 0.526 CB 1.490 58 residues pruned to eliminate duplicates Z: 40 21.977 1.998 0.328 0.589 0.872 0.641 CB 1.398 40 residues pruned to eliminate duplicates Z: 57 33.878 1.990 0.471 0.636 0.911 0.643 CB 1.495 57 residues pruned to eliminate duplicates Z: 84 57.145 2.146 0.663 0.722 0.904 0.566 CB 1.592 85 residues pruned to eliminate duplicates Z: 15 24.105 2.112 0.448 0.925 1.000 0.857 CA 1.478 15 residues pruned to eliminate duplicates Z: 17 19.720 1.950 0.420 0.831 0.938 0.562 CA 1.426 17 residues pruned to eliminate duplicates Z: 17 17.243 2.073 0.201 0.782 0.875 0.750 CB 1.544 17 residues pruned to eliminate duplicates Z: 44 37.182 2.118 0.585 0.697 0.860 0.535 CB 1.639 44 residues pruned to eliminate duplicates Z: 15 20.708 2.114 0.357 0.879 0.929 0.714 CA 1.507 15 residues pruned to eliminate duplicates Z: 27 21.156 2.032 0.451 0.595 0.885 0.577 CB 1.452 27 residues pruned to eliminate duplicates Z: 28 23.768 2.029 0.410 0.684 0.889 0.519 CB 1.519 28 residues pruned to eliminate duplicates Z: 16 17.965 2.052 0.375 0.761 0.867 0.600 CA 1.504 16 residues pruned to eliminate duplicates Z: 46 30.349 2.092 0.355 0.677 0.844 0.511 CB 1.606 46 residues pruned to eliminate duplicates Z: 45 35.478 2.098 0.446 0.703 0.909 0.568 CB 1.612 43 residues pruned to eliminate duplicates Z: 16 21.741 2.035 0.455 0.873 0.933 0.733 CB 1.480 16 residues pruned to eliminate duplicates Z: 6 4.250 1.725 0.595 0.294 0.800 0.400 CB 1.088 6 residues pruned to eliminate duplicates Z: 47 32.911 2.068 0.398 0.698 0.913 0.609 CB 1.534 47 residues pruned to eliminate duplicates Z: 45 32.876 2.105 0.370 0.742 0.864 0.636 CB 1.602 45 residues pruned to eliminate duplicates Z: 19 18.861 2.062 0.349 0.751 0.889 0.611 CB 1.437 19 residues pruned to eliminate duplicates Z: 57 32.671 2.035 0.476 0.654 0.839 0.500 CB 1.501 57 residues pruned to eliminate duplicates Z: 48 32.325 2.056 0.470 0.678 0.872 0.468 CB 1.518 48 residues pruned to eliminate duplicates Z: 57 37.930 2.070 0.545 0.682 0.893 0.589 CB 1.502 57 residues pruned to eliminate duplicates Z: 46 36.911 2.079 0.525 0.693 0.933 0.600 CB 1.558 46 residues pruned to eliminate duplicates Z: 58 38.346 2.067 0.604 0.671 0.860 0.491 CB 1.522 58 residues pruned to eliminate duplicates Z: 46 38.284 2.106 0.509 0.728 0.933 0.667 CB 1.567 46 residues pruned to eliminate duplicates Z: 28 31.650 2.133 0.475 0.729 0.926 0.407 CB 1.702 28 residues pruned to eliminate duplicates Z: 44 37.708 2.112 0.520 0.743 0.907 0.558 CB 1.589 44 residues pruned to eliminate duplicates Z: 44 40.079 2.121 0.527 0.738 0.930 0.651 CB 1.638 44 residues pruned to eliminate duplicates Z: 43 38.374 2.135 0.478 0.747 0.905 0.619 CB 1.663 43 residues pruned to eliminate duplicates Z: 43 37.821 2.128 0.449 0.750 0.929 0.667 CB 1.630 43 residues pruned to eliminate duplicates Z: 46 32.532 2.076 0.428 0.719 0.889 0.622 CB 1.510 46 residues pruned to eliminate duplicates Z: 31 28.272 2.080 0.448 0.677 0.867 0.567 CB 1.680 31 residues pruned to eliminate duplicates Z: 51 32.173 2.069 0.364 0.665 0.920 0.560 CB 1.505 51 residues pruned to eliminate duplicates Z: 30 28.998 2.107 0.356 0.706 0.931 0.552 CB 1.679 30 residues pruned to eliminate duplicates Z: 58 36.296 2.063 0.515 0.680 0.877 0.561 CB 1.485 58 residues pruned to eliminate duplicates Z: 30 35.960 2.129 0.660 0.706 0.966 0.483 CB 1.623 30 residues pruned to eliminate duplicates Z: 16 22.986 1.988 0.503 0.880 0.867 0.533 CB 1.661 16 residues pruned to eliminate duplicates Z: 59 37.835 2.039 0.460 0.690 0.948 0.638 CB 1.480 59 residues pruned to eliminate duplicates Z: 59 40.907 2.066 0.580 0.699 0.914 0.690 CB 1.502 59 residues pruned to eliminate duplicates Z: 15 28.294 2.053 0.683 0.913 1.000 0.643 CB 1.549 15 residues pruned to eliminate duplicates Z: 85 59.612 2.132 0.737 0.735 0.940 0.488 CB 1.512 85 residues pruned to eliminate duplicates Z: 29 32.136 2.108 0.511 0.732 1.000 0.500 CB 1.548 29 residues pruned to eliminate duplicates Z: 8 14.140 1.954 0.468 0.887 0.857 0.571 CB 1.567 8 residues pruned to eliminate duplicates Z: 45 38.996 2.127 0.474 0.741 0.932 0.591 CB 1.621 45 residues pruned to eliminate duplicates Z: 30 33.496 2.089 0.544 0.743 0.966 0.586 CB 1.607 30 residues pruned to eliminate duplicates Z: 46 37.370 2.092 0.468 0.751 0.933 0.667 CB 1.553 46 residues pruned to eliminate duplicates Z: 68 36.236 1.984 0.800 0.776 0.791 0.358 CB 1.229 68 residues pruned to eliminate duplicates Z: 18 16.181 1.913 0.869 0.777 0.824 0.412 CB 1.043 Z: 7 6.829 1.713 0.349 0.653 0.833 0.500 CB 1.256 3 residues pruned to eliminate duplicates 234 residues left after pruning, divided into chains as follows: A: 28 B: 26 C: 158 D: 22 CC for partial structure against native data = 35.88 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.383, Connect. = 0.738 for dens.mod. cycle 1 = 0.300, Contrast = 0.436, Connect. = 0.759 for dens.mod. cycle 2 = 0.300, Contrast = 0.525, Connect. = 0.789 for dens.mod. cycle 3 = 0.300, Contrast = 0.529, Connect. = 0.791 for dens.mod. cycle 4 = 0.300, Contrast = 0.539, Connect. = 0.793 for dens.mod. cycle 5 = 0.300, Contrast = 0.545, Connect. = 0.795 for dens.mod. cycle 6 = 0.300, Contrast = 0.553, Connect. = 0.797 for dens.mod. cycle 7 = 0.300, Contrast = 0.556, Connect. = 0.798 for dens.mod. cycle 8 = 0.300, Contrast = 0.561, Connect. = 0.799 for dens.mod. cycle 9 = 0.300, Contrast = 0.564, Connect. = 0.800 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1114 peaks > 0.5 sigma used to seed fragment search Space for about 269 unique residues taking solvent into account 281 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 26.632 2.054 0.827 0.948 1.000 0.800 CB 1.265 B: 23 29.272 1.985 1.032 0.953 0.955 0.682 CB 1.115 16 residues pruned to eliminate duplicates C: 24 44.235 2.325 0.935 0.938 0.783 0.391 CB 1.822 D: 25 24.209 1.913 0.955 0.900 0.958 0.583 CB 0.985 25 residues pruned to eliminate duplicates E: 23 63.281 2.368 1.232 0.934 1.000 0.591 CB 1.780 24 residues pruned to eliminate duplicates F: 19 21.438 1.956 0.805 0.932 0.944 0.333 CB 1.059 18 residues pruned to eliminate duplicates G: 24 59.024 2.368 1.042 0.952 0.957 0.826 CA 1.833 24 residues pruned to eliminate duplicates H: 26 47.565 2.268 0.804 0.909 0.960 0.920 CA 1.719 26 residues pruned to eliminate duplicates I: 26 57.077 2.309 1.121 0.913 0.960 0.600 CB 1.718 25 residues pruned to eliminate duplicates J: 15 26.329 2.156 0.581 0.907 1.000 0.857 CB 1.467 K: 15 23.370 2.135 0.402 0.882 0.929 0.857 CB 1.627 L: 10 12.653 1.788 0.409 0.849 1.000 0.889 CB 1.241 M: 26 47.015 2.298 0.809 0.909 0.920 0.680 CB 1.745 26 residues pruned to eliminate duplicates N: 14 31.965 2.174 0.762 0.885 1.000 0.231 CB 1.670 O: 29 28.960 2.098 0.443 0.740 0.893 0.464 CB 1.633 P: 24 56.910 2.354 1.001 0.942 1.000 0.565 CB 1.747 24 residues pruned to eliminate duplicates Q: 16 20.761 1.990 0.339 0.877 1.000 0.733 CB 1.461 16 residues pruned to eliminate duplicates R: 20 21.598 1.936 0.786 0.867 0.947 0.474 CB 1.106 20 residues pruned to eliminate duplicates S: 11 11.112 1.885 0.435 0.715 0.800 0.500 CB 1.336 10 residues pruned to eliminate duplicates T: 25 55.292 2.295 1.033 0.957 0.958 0.750 CB 1.733 25 residues pruned to eliminate duplicates U: 11 17.795 2.038 0.225 0.818 1.000 0.600 O 1.710 11 residues pruned to eliminate duplicates V: 25 16.589 1.821 0.349 0.787 0.917 0.708 CB 1.168 10 residues pruned to eliminate duplicates W: 14 18.333 2.004 0.302 0.938 1.000 0.923 CB 1.355 X: 15 22.354 1.989 0.587 0.935 0.929 0.786 CB 1.421 Y: 12 16.262 1.874 0.513 0.925 1.000 1.000 CB 1.214 12 residues pruned to eliminate duplicates Z: 15 24.924 2.190 0.404 0.898 1.000 0.714 CB 1.550 15 residues pruned to eliminate duplicates Z: 26 45.966 2.248 0.847 0.869 0.960 0.800 CA 1.684 26 residues pruned to eliminate duplicates Z: 17 24.289 1.965 0.384 0.889 1.000 0.812 CA 1.608 16 residues pruned to eliminate duplicates Z: 25 24.283 1.953 0.938 0.912 0.917 0.417 CB 1.012 25 residues pruned to eliminate duplicates Z: 16 21.216 1.925 0.485 0.906 1.000 0.800 CB 1.362 15 residues pruned to eliminate duplicates Z: 23 50.655 2.285 1.072 0.928 0.909 0.591 CB 1.757 23 residues pruned to eliminate duplicates Z: 24 46.070 2.289 0.830 0.946 0.957 0.870 CA 1.658 24 residues pruned to eliminate duplicates Z: 18 26.286 2.033 0.831 0.914 1.000 0.588 CB 1.211 18 residues pruned to eliminate duplicates Z: 13 24.267 2.151 0.443 0.932 1.000 0.833 CB 1.576 13 residues pruned to eliminate duplicates Z: 27 41.856 2.213 0.881 0.910 0.923 0.269 CB 1.515 25 residues pruned to eliminate duplicates Z: 16 27.596 2.055 0.462 0.919 1.000 0.733 CB 1.672 17 residues pruned to eliminate duplicates Z: 15 22.635 2.067 0.420 0.913 0.929 0.714 CB 1.571 15 residues pruned to eliminate duplicates Z: 26 54.353 2.282 0.958 0.938 1.000 0.760 CB 1.692 27 residues pruned to eliminate duplicates Z: 15 30.422 2.078 0.705 0.895 1.000 0.714 CB 1.645 16 residues pruned to eliminate duplicates Z: 16 22.986 1.967 0.548 0.866 0.933 0.533 CB 1.530 16 residues pruned to eliminate duplicates Z: 14 22.019 2.036 0.597 0.940 1.000 0.692 CB 1.304 14 residues pruned to eliminate duplicates Z: 16 27.299 2.004 0.690 0.887 1.000 0.733 CB 1.501 15 residues pruned to eliminate duplicates Z: 14 14.460 2.034 0.126 0.842 0.923 0.769 CB 1.413 14 residues pruned to eliminate duplicates Z: 17 22.339 1.966 0.241 0.887 1.000 0.750 CB 1.650 17 residues pruned to eliminate duplicates Z: 11 11.628 1.720 0.275 0.933 1.000 0.900 CB 1.171 Z: 17 23.431 1.923 0.536 0.866 1.000 0.750 CB 1.452 17 residues pruned to eliminate duplicates Z: 15 24.122 2.182 0.388 0.903 1.000 0.429 CB 1.518 15 residues pruned to eliminate duplicates Z: 16 18.934 1.935 0.249 0.886 0.933 0.867 CA 1.563 16 residues pruned to eliminate duplicates Z: 14 27.286 2.129 0.538 0.937 1.000 0.846 CB 1.609 14 residues pruned to eliminate duplicates Z: 34 20.542 1.927 0.322 0.582 0.909 0.636 CB 1.427 20 residues pruned to eliminate duplicates Z: 14 22.210 2.031 0.505 0.921 1.000 0.769 CB 1.418 14 residues pruned to eliminate duplicates Z: 16 26.604 2.063 0.543 0.899 1.000 0.333 CB 1.543 16 residues pruned to eliminate duplicates Z: 25 53.000 2.353 0.908 0.929 0.958 0.458 CB 1.760 25 residues pruned to eliminate duplicates Z: 25 51.100 2.315 0.822 0.919 0.958 0.750 CB 1.818 25 residues pruned to eliminate duplicates Z: 15 21.075 2.087 0.251 0.904 1.000 0.857 CA 1.537 15 residues pruned to eliminate duplicates Z: 14 30.469 2.162 0.676 0.916 1.000 0.846 CB 1.646 14 residues pruned to eliminate duplicates Z: 10 11.674 2.147 0.333 0.750 0.667 0.444 CB 1.631 10 residues pruned to eliminate duplicates Z: 15 19.689 2.046 0.604 0.872 0.857 0.643 CB 1.363 15 residues pruned to eliminate duplicates Z: 14 26.758 2.185 0.428 0.902 1.000 0.692 CB 1.697 14 residues pruned to eliminate duplicates Z: 15 22.020 1.959 0.340 0.866 1.000 0.786 CB 1.641 15 residues pruned to eliminate duplicates Z: 15 28.368 2.144 0.630 0.894 1.000 0.786 CB 1.557 14 residues pruned to eliminate duplicates Z: 17 22.540 1.984 0.478 0.863 0.938 0.500 CB 1.504 17 residues pruned to eliminate duplicates Z: 28 32.439 2.149 0.536 0.754 0.926 0.444 CB 1.630 28 residues pruned to eliminate duplicates Z: 14 19.507 1.989 0.507 0.938 1.000 1.000 CB 1.255 14 residues pruned to eliminate duplicates Z: 15 32.629 2.130 0.777 0.911 1.000 0.786 CB 1.633 15 residues pruned to eliminate duplicates Z: 14 32.379 2.167 0.891 0.912 0.923 0.538 CB 1.681 15 residues pruned to eliminate duplicates Z: 16 27.942 2.022 0.597 0.933 1.000 0.600 CB 1.559 16 residues pruned to eliminate duplicates Z: 23 50.338 2.356 0.783 0.946 1.000 0.864 CB 1.767 23 residues pruned to eliminate duplicates Z: 16 22.195 2.051 0.399 0.877 0.933 0.800 CB 1.554 16 residues pruned to eliminate duplicates Z: 15 19.938 2.014 0.231 0.925 1.000 0.929 CB 1.509 15 residues pruned to eliminate duplicates Z: 103 63.194 2.101 0.798 0.750 0.902 0.510 CB 1.470 86 residues pruned to eliminate duplicates Z: 7 6.755 1.668 0.158 0.710 1.000 0.833 CA 1.179 7 residues pruned to eliminate duplicates Z: 14 25.923 2.186 0.584 0.896 0.923 0.615 CB 1.611 14 residues pruned to eliminate duplicates Z: 23 28.238 1.957 1.011 0.923 0.955 0.773 CB 1.127 23 residues pruned to eliminate duplicates Z: 10 22.277 2.003 0.780 0.904 1.000 0.889 CB 1.484 10 residues pruned to eliminate duplicates Z: 15 20.092 2.005 0.473 0.896 0.929 0.714 CB 1.403 15 residues pruned to eliminate duplicates Z: 21 26.639 1.893 0.835 0.891 0.950 0.650 CB 1.297 21 residues pruned to eliminate duplicates Z: 11 9.753 1.580 0.319 0.866 1.000 0.800 CB 1.084 11 residues pruned to eliminate duplicates Z: 14 15.960 1.998 0.231 0.883 1.000 0.923 CB 1.302 14 residues pruned to eliminate duplicates Z: 23 52.757 2.351 0.887 0.955 0.955 0.818 CA 1.826 23 residues pruned to eliminate duplicates Z: 15 23.578 2.055 0.521 0.894 0.929 0.786 CA 1.557 15 residues pruned to eliminate duplicates Z: 14 20.324 2.103 0.158 0.941 1.000 1.000 CB 1.606 14 residues pruned to eliminate duplicates Z: 22 49.004 2.267 0.831 0.946 1.000 0.619 CA 1.781 22 residues pruned to eliminate duplicates Z: 11 12.636 1.771 0.395 0.912 1.000 0.900 CB 1.145 11 residues pruned to eliminate duplicates Z: 15 20.908 2.109 0.365 0.880 0.929 0.857 CA 1.515 15 residues pruned to eliminate duplicates Z: 15 23.032 1.975 0.793 0.940 0.929 0.714 CB 1.299 15 residues pruned to eliminate duplicates Z: 15 29.815 2.135 0.622 0.920 1.000 0.929 CB 1.620 15 residues pruned to eliminate duplicates Z: 12 11.326 1.957 -0.099 0.858 1.000 0.727 CB 1.425 12 residues pruned to eliminate duplicates Z: 17 20.839 1.929 0.611 0.818 0.875 0.188 CB 1.453 17 residues pruned to eliminate duplicates Z: 19 21.189 2.147 0.677 0.696 0.833 0.278 CB 1.391 13 residues pruned to eliminate duplicates Z: 25 26.229 1.971 0.774 0.934 0.917 0.250 CB 1.165 25 residues pruned to eliminate duplicates Z: 6 8.910 1.689 0.584 0.886 1.000 1.000 CB 1.074 6 residues pruned to eliminate duplicates Z: 15 19.206 1.995 0.445 0.876 0.929 0.857 CA 1.393 15 residues pruned to eliminate duplicates Z: 17 20.627 1.930 0.848 0.681 0.875 0.375 CB 1.399 17 residues pruned to eliminate duplicates Z: 17 24.436 1.959 1.138 0.889 0.938 0.625 CB 1.119 17 residues pruned to eliminate duplicates Z: 25 55.521 2.345 0.863 0.941 1.000 0.583 CB 1.800 25 residues pruned to eliminate duplicates Z: 25 49.196 2.308 0.856 0.940 0.958 0.667 CB 1.699 25 residues pruned to eliminate duplicates Z: 14 22.221 2.064 0.447 0.910 1.000 0.769 CB 1.464 14 residues pruned to eliminate duplicates Z: 28 23.986 1.986 0.758 0.767 0.852 0.296 CB 1.225 23 residues pruned to eliminate duplicates Z: 14 15.703 1.939 0.287 0.877 0.923 0.692 CB 1.373 14 residues pruned to eliminate duplicates Z: 13 8.482 1.722 0.373 0.885 1.000 0.750 CB 0.748 13 residues pruned to eliminate duplicates Z: 25 22.490 2.058 0.834 0.812 0.750 0.458 CB 1.236 25 residues pruned to eliminate duplicates Z: 27 44.299 2.205 0.782 0.909 0.962 0.731 CA 1.632 27 residues pruned to eliminate duplicates Z: 6 4.707 1.793 0.097 0.624 0.600 0.200 N 1.587 6 residues pruned to eliminate duplicates Z: 15 19.266 1.984 0.347 0.893 0.929 0.714 CB 1.490 15 residues pruned to eliminate duplicates Z: 15 20.531 1.993 0.404 0.925 0.929 0.643 CB 1.482 15 residues pruned to eliminate duplicates Z: 10 13.459 1.835 0.695 0.854 0.889 0.556 CB 1.198 10 residues pruned to eliminate duplicates Z: 32 28.345 1.912 0.887 0.755 0.968 0.419 CB 1.162 32 residues pruned to eliminate duplicates Z: 17 26.571 2.068 1.103 0.947 0.938 0.500 CB 1.126 17 residues pruned to eliminate duplicates Z: 15 9.764 2.057 0.152 0.684 0.714 0.286 CB 1.302 15 residues pruned to eliminate duplicates Z: 16 26.192 1.999 0.429 0.915 1.000 0.733 CA 1.673 16 residues pruned to eliminate duplicates Z: 14 19.827 1.931 0.384 0.914 1.000 0.846 CB 1.456 14 residues pruned to eliminate duplicates Z: 7 7.008 1.675 0.269 0.839 1.000 0.500 CB 1.005 7 residues pruned to eliminate duplicates Z: 16 22.335 1.996 0.253 0.881 1.000 0.600 CB 1.670 16 residues pruned to eliminate duplicates Z: 26 22.900 1.966 0.844 0.797 0.840 0.400 CB 1.160 26 residues pruned to eliminate duplicates Z: 15 30.445 2.155 0.632 0.886 1.000 0.857 CA 1.668 15 residues pruned to eliminate duplicates Z: 14 27.438 2.187 0.525 0.908 1.000 0.692 CA 1.621 14 residues pruned to eliminate duplicates Z: 13 7.526 1.782 0.268 0.543 0.750 0.667 CB 1.229 Z: 23 59.240 2.368 0.974 0.955 1.000 0.727 CA 1.856 23 residues pruned to eliminate duplicates Z: 13 10.462 1.884 0.211 0.562 0.917 0.667 CB 1.360 13 residues pruned to eliminate duplicates Z: 10 15.741 2.147 0.332 0.806 0.889 0.778 CB 1.581 10 residues pruned to eliminate duplicates Z: 11 10.540 1.732 0.277 0.883 1.000 0.700 CB 1.090 11 residues pruned to eliminate duplicates Z: 15 22.786 1.881 0.826 0.898 1.000 0.786 CB 1.268 15 residues pruned to eliminate duplicates Z: 32 50.906 2.254 0.981 0.798 0.968 0.452 CB 1.630 33 residues pruned to eliminate duplicates Z: 9 7.199 1.840 0.169 0.764 0.875 0.625 CB 1.070 9 residues pruned to eliminate duplicates Z: 14 33.004 2.179 0.866 0.922 1.000 0.692 CB 1.583 14 residues pruned to eliminate duplicates Z: 16 24.943 2.019 0.400 0.899 1.000 0.933 CB 1.628 16 residues pruned to eliminate duplicates Z: 24 54.070 2.334 0.828 0.945 1.000 0.870 CB 1.830 24 residues pruned to eliminate duplicates Z: 7 4.615 1.736 0.220 0.828 0.833 0.667 CB 0.803 7 residues pruned to eliminate duplicates Z: 15 19.855 1.963 0.536 0.912 1.000 0.786 CB 1.246 15 residues pruned to eliminate duplicates Z: 25 53.644 2.318 0.979 0.930 0.958 0.417 CB 1.742 25 residues pruned to eliminate duplicates Z: 15 19.530 1.943 0.297 0.897 1.000 0.929 CB 1.483 15 residues pruned to eliminate duplicates Z: 15 25.293 1.972 0.599 0.940 1.000 0.714 CB 1.488 15 residues pruned to eliminate duplicates Z: 13 6.482 1.843 0.109 0.483 0.833 0.417 CB 1.117 13 residues pruned to eliminate duplicates Z: 12 8.465 1.799 0.247 0.564 0.909 0.818 CB 1.175 12 residues pruned to eliminate duplicates Z: 15 20.793 1.919 0.642 0.895 1.000 0.714 CB 1.264 15 residues pruned to eliminate duplicates Z: 24 20.954 1.892 0.474 0.926 0.957 0.870 CB 1.149 24 residues pruned to eliminate duplicates Z: 17 22.417 1.982 0.418 0.833 1.000 0.688 CB 1.496 17 residues pruned to eliminate duplicates Z: 16 16.715 1.804 0.533 0.914 1.000 0.867 CB 1.104 16 residues pruned to eliminate duplicates Z: 9 7.186 1.842 0.395 0.534 0.750 0.625 CB 1.274 9 residues pruned to eliminate duplicates Z: 22 15.935 1.848 0.341 0.872 0.952 0.810 CB 1.074 22 residues pruned to eliminate duplicates Z: 15 13.830 1.840 0.254 0.888 1.000 0.929 CB 1.154 15 residues pruned to eliminate duplicates Z: 15 19.634 2.035 0.395 0.895 0.857 0.500 CB 1.546 15 residues pruned to eliminate duplicates Z: 14 17.186 2.003 0.016 0.921 1.000 0.692 CB 1.648 14 residues pruned to eliminate duplicates Z: 26 40.917 2.219 0.783 0.912 0.880 0.680 CB 1.665 26 residues pruned to eliminate duplicates Z: 15 19.329 1.975 0.302 0.928 1.000 0.571 CB 1.407 15 residues pruned to eliminate duplicates Z: 15 24.515 2.055 0.835 0.909 0.857 0.357 CB 1.439 15 residues pruned to eliminate duplicates Z: 14 22.254 2.013 0.619 0.918 1.000 0.846 CB 1.335 14 residues pruned to eliminate duplicates Z: 15 16.614 1.935 0.171 0.908 1.000 0.857 CB 1.392 15 residues pruned to eliminate duplicates Z: 17 31.934 2.054 0.999 0.874 0.938 0.250 CB 1.510 17 residues pruned to eliminate duplicates Z: 16 16.637 1.971 -0.042 0.902 1.000 0.933 CB 1.623 16 residues pruned to eliminate duplicates Z: 12 15.030 1.995 0.454 0.690 0.818 0.455 CB 1.606 12 residues pruned to eliminate duplicates Z: 17 23.763 2.006 0.539 0.864 0.938 0.562 CB 1.505 17 residues pruned to eliminate duplicates Z: 76 39.643 2.029 0.592 0.715 0.827 0.293 CB 1.412 76 residues pruned to eliminate duplicates Z: 104 63.209 2.101 0.700 0.768 0.942 0.524 CB 1.461 102 residues pruned to eliminate duplicates Z: 14 12.976 1.865 0.291 0.920 1.000 0.923 CB 1.053 14 residues pruned to eliminate duplicates Z: 11 6.265 1.678 0.506 0.479 0.700 0.500 CA 1.144 11 residues pruned to eliminate duplicates Z: 15 16.688 1.872 0.537 0.879 1.000 0.571 CB 1.124 15 residues pruned to eliminate duplicates Z: 14 20.096 1.922 0.788 0.887 0.923 0.385 CB 1.267 15 residues pruned to eliminate duplicates Z: 16 23.701 1.999 0.615 0.903 0.933 0.867 CB 1.447 16 residues pruned to eliminate duplicates Z: 11 13.506 1.936 0.196 0.798 0.900 0.400 CA 1.580 11 residues pruned to eliminate duplicates Z: 10 10.455 1.801 0.664 0.771 0.778 0.333 CA 1.177 10 residues pruned to eliminate duplicates Z: 13 6.209 1.799 0.003 0.429 0.833 0.500 CB 1.283 13 residues pruned to eliminate duplicates Z: 25 39.380 2.163 0.715 0.916 0.958 0.875 CA 1.597 25 residues pruned to eliminate duplicates Z: 15 23.009 1.960 0.682 0.920 1.000 0.643 CB 1.314 15 residues pruned to eliminate duplicates Z: 6 6.182 1.448 1.069 0.691 0.800 0.800 CB 0.969 6 residues pruned to eliminate duplicates Z: 15 18.982 1.986 0.227 0.923 1.000 0.929 CB 1.463 15 residues pruned to eliminate duplicates Z: 15 13.187 1.846 0.052 0.897 1.000 1.000 CB 1.299 15 residues pruned to eliminate duplicates Z: 14 15.550 1.994 0.353 0.892 0.923 0.846 CB 1.245 14 residues pruned to eliminate duplicates Z: 86 53.715 2.084 0.792 0.711 0.906 0.365 CB 1.422 86 residues pruned to eliminate duplicates Z: 16 10.212 1.801 0.119 0.887 0.933 0.867 CB 1.011 16 residues pruned to eliminate duplicates Z: 15 36.181 2.160 1.052 0.932 1.000 0.429 CB 1.524 15 residues pruned to eliminate duplicates Z: 15 16.431 1.895 0.667 0.911 0.929 0.571 CB 1.061 15 residues pruned to eliminate duplicates Z: 13 14.485 1.881 0.406 0.896 0.917 0.500 CB 1.236 13 residues pruned to eliminate duplicates Z: 102 67.026 2.093 0.838 0.766 0.941 0.554 CB 1.456 101 residues pruned to eliminate duplicates Z: 17 16.086 2.154 0.288 0.592 0.812 0.375 CB 1.634 17 residues pruned to eliminate duplicates Z: 15 16.320 1.961 0.292 0.867 0.929 0.857 CA 1.356 15 residues pruned to eliminate duplicates Z: 16 23.562 2.003 0.339 0.907 1.000 0.933 CB 1.612 16 residues pruned to eliminate duplicates Z: 7 9.579 1.842 0.421 0.896 1.000 1.000 CB 1.071 7 residues pruned to eliminate duplicates Z: 14 18.277 2.018 0.383 0.891 0.923 0.538 CB 1.414 14 residues pruned to eliminate duplicates Z: 14 22.010 2.017 0.703 0.933 1.000 0.615 CB 1.240 14 residues pruned to eliminate duplicates Z: 24 51.043 2.325 0.855 0.943 0.957 0.696 CA 1.789 24 residues pruned to eliminate duplicates Z: 16 31.033 2.076 0.916 0.934 1.000 0.667 CB 1.404 16 residues pruned to eliminate duplicates Z: 17 25.690 1.939 0.700 0.903 1.000 0.500 CB 1.389 17 residues pruned to eliminate duplicates Z: 11 12.895 1.729 0.599 0.893 1.000 0.600 CB 1.059 11 residues pruned to eliminate duplicates Z: 7 9.387 1.762 0.474 0.880 1.000 0.500 CB 1.069 7 residues pruned to eliminate duplicates Z: 15 23.064 1.979 0.943 0.939 0.929 0.571 CB 1.200 15 residues pruned to eliminate duplicates Z: 12 14.024 1.928 0.401 0.619 1.000 0.636 CB 1.399 12 residues pruned to eliminate duplicates Z: 15 21.742 1.918 0.448 0.849 1.000 0.643 CB 1.551 15 residues pruned to eliminate duplicates Z: 24 27.995 2.074 0.932 0.855 0.913 0.565 CB 1.178 28 residues pruned to eliminate duplicates Z: 14 10.042 1.880 0.242 0.523 0.846 0.462 CB 1.378 45 residues pruned to eliminate duplicates Z: 14 20.058 2.013 0.528 0.932 1.000 0.692 CB 1.264 14 residues pruned to eliminate duplicates Z: 7 5.323 1.942 0.564 0.471 0.500 0.500 CB 1.473 7 residues pruned to eliminate duplicates Z: 11 10.689 1.710 0.146 0.905 1.000 0.900 CB 1.227 11 residues pruned to eliminate duplicates Z: 11 18.441 1.931 0.466 0.782 1.000 0.500 CB 1.608 11 residues pruned to eliminate duplicates Z: 29 16.739 1.876 0.459 0.584 0.786 0.429 CB 1.357 29 residues pruned to eliminate duplicates Z: 6 6.264 1.756 -0.128 0.809 1.000 1.000 CB 1.397 6 residues pruned to eliminate duplicates Z: 26 51.650 2.275 0.844 0.943 1.000 0.880 CA 1.706 26 residues pruned to eliminate duplicates Z: 9 14.894 2.195 0.407 0.726 1.000 1.000 CA 1.390 9 residues pruned to eliminate duplicates Z: 6 6.109 1.519 0.740 0.711 0.800 0.600 CA 1.067 Z: 16 32.995 2.149 0.892 0.827 0.933 0.733 CA 1.692 16 residues pruned to eliminate duplicates Z: 20 21.068 2.064 0.472 0.669 0.947 0.737 CB 1.436 20 residues pruned to eliminate duplicates Z: 15 17.434 1.993 0.269 0.911 1.000 0.929 CA 1.306 15 residues pruned to eliminate duplicates Z: 27 10.808 1.754 0.483 0.530 0.808 0.500 CB 0.979 27 residues pruned to eliminate duplicates Z: 11 16.863 1.740 0.793 0.927 1.000 0.900 CB 1.198 11 residues pruned to eliminate duplicates Z: 15 20.886 2.085 0.438 0.902 1.000 0.286 CB 1.328 15 residues pruned to eliminate duplicates Z: 7 2.915 1.499 0.245 0.314 0.833 0.333 CB 0.940 7 residues pruned to eliminate duplicates Z: 6 5.647 1.687 0.074 0.814 0.800 0.800 CB 1.326 6 residues pruned to eliminate duplicates Z: 68 50.674 2.099 0.767 0.762 0.896 0.507 CB 1.477 68 residues pruned to eliminate duplicates Z: 24 21.776 1.877 0.552 0.908 1.000 0.826 CB 1.107 24 residues pruned to eliminate duplicates Z: 15 22.050 1.921 0.524 0.863 1.000 0.857 CB 1.477 15 residues pruned to eliminate duplicates Z: 13 12.416 1.911 0.263 0.876 1.000 0.583 CB 1.080 13 residues pruned to eliminate duplicates Z: 10 23.702 2.008 0.745 0.908 1.000 0.889 CB 1.602 10 residues pruned to eliminate duplicates Z: 9 6.913 1.731 0.421 0.836 0.875 0.750 CB 0.850 9 residues pruned to eliminate duplicates Z: 15 25.826 1.993 0.683 0.913 1.000 0.571 CB 1.456 15 residues pruned to eliminate duplicates Z: 6 7.543 1.817 0.502 0.866 1.000 0.600 CB 0.905 6 residues pruned to eliminate duplicates Z: 11 18.271 1.918 0.891 0.935 1.000 0.900 CB 1.110 11 residues pruned to eliminate duplicates Z: 6 12.252 2.014 0.448 0.756 1.000 0.400 CA 1.496 6 residues pruned to eliminate duplicates Z: 13 6.959 1.648 0.276 0.893 1.000 0.917 CB 0.686 13 residues pruned to eliminate duplicates Z: 10 7.435 1.840 0.498 0.503 0.778 0.556 CB 1.153 10 residues pruned to eliminate duplicates Z: 53 42.005 2.066 0.708 0.782 0.904 0.365 CB 1.424 53 residues pruned to eliminate duplicates Z: 21 15.408 1.881 0.807 0.721 0.800 0.350 CB 1.038 22 residues pruned to eliminate duplicates Z: 13 9.817 1.840 0.446 0.580 0.917 0.667 CB 1.076 13 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 11 13.882 1.902 0.469 0.658 1.000 0.300 CB 1.357 10 residues pruned to eliminate duplicates Z: 8 10.850 2.051 0.701 0.651 0.714 0.286 CB 1.430 8 residues pruned to eliminate duplicates Z: 15 9.074 1.752 0.454 0.592 0.786 0.571 CB 1.109 14 residues pruned to eliminate duplicates Z: 11 9.428 1.882 0.343 0.712 0.700 0.600 CB 1.391 11 residues pruned to eliminate duplicates Z: 11 8.050 1.855 0.401 0.648 0.700 0.400 CB 1.219 11 residues pruned to eliminate duplicates Z: 25 13.168 1.839 0.154 0.732 0.917 0.750 CB 1.122 26 residues pruned to eliminate duplicates Z: 11 12.622 1.855 0.645 0.792 0.800 0.700 CB 1.265 11 residues pruned to eliminate duplicates Z: 28 17.224 1.840 0.405 0.748 0.889 0.704 CB 1.156 28 residues pruned to eliminate duplicates Z: 27 12.786 1.770 0.450 0.668 0.769 0.500 CB 1.087 27 residues pruned to eliminate duplicates Z: 23 14.778 1.891 0.438 0.736 0.773 0.545 CB 1.212 23 residues pruned to eliminate duplicates Z: 13 8.485 1.893 0.118 0.712 0.917 0.750 CB 1.042 13 residues pruned to eliminate duplicates Z: 24 12.676 1.862 0.393 0.670 0.739 0.565 CB 1.179 24 residues pruned to eliminate duplicates Z: 20 11.594 1.771 0.449 0.671 0.895 0.684 CB 0.989 20 residues pruned to eliminate duplicates Z: 15 12.859 1.851 0.479 0.759 0.929 0.571 CB 1.074 15 residues pruned to eliminate duplicates Z: 25 14.788 1.793 0.385 0.769 0.833 0.583 CB 1.149 25 residues pruned to eliminate duplicates Z: 20 13.272 1.791 0.593 0.674 0.895 0.526 CB 1.015 20 residues pruned to eliminate duplicates Z: 25 13.787 1.822 0.433 0.699 0.792 0.542 CB 1.135 25 residues pruned to eliminate duplicates Z: 13 16.330 1.898 0.749 0.844 0.917 0.750 CB 1.152 13 residues pruned to eliminate duplicates Z: 9 17.007 2.067 0.651 0.912 1.000 1.000 CB 1.249 9 residues pruned to eliminate duplicates Z: 26 18.773 1.917 0.617 0.770 0.800 0.760 CB 1.193 25 residues pruned to eliminate duplicates Z: 15 25.106 1.926 0.917 0.938 1.000 0.929 CB 1.264 15 residues pruned to eliminate duplicates Z: 15 24.104 1.920 0.883 0.912 1.000 0.929 CB 1.262 15 residues pruned to eliminate duplicates Z: 27 17.860 1.867 0.574 0.755 0.846 0.577 CB 1.122 27 residues pruned to eliminate duplicates Z: 17 15.351 1.861 0.553 0.862 0.938 0.938 CB 1.040 17 residues pruned to eliminate duplicates Z: 20 13.945 1.807 0.457 0.766 0.895 0.579 CB 1.073 20 residues pruned to eliminate duplicates Z: 13 8.456 1.861 0.153 0.530 0.917 0.333 CB 1.204 13 residues pruned to eliminate duplicates Z: 7 4.743 1.888 0.031 0.336 0.833 0.667 CB 1.427 7 residues pruned to eliminate duplicates Z: 22 9.339 1.693 0.142 0.577 0.810 0.619 CB 1.209 20 residues pruned to eliminate duplicates Z: 9 6.966 1.612 0.141 0.610 1.000 0.625 CB 1.207 9 residues pruned to eliminate duplicates Z: 13 9.160 1.758 0.217 0.477 1.000 0.417 CB 1.265 13 residues pruned to eliminate duplicates Z: 15 9.796 1.709 0.389 0.529 0.857 0.500 CB 1.251 15 residues pruned to eliminate duplicates Z: 13 12.956 1.860 0.337 0.591 1.000 0.583 CB 1.378 13 residues pruned to eliminate duplicates Z: 13 11.547 1.826 0.361 0.630 0.917 0.833 CB 1.294 13 residues pruned to eliminate duplicates Z: 14 10.982 1.821 0.298 0.615 0.846 0.538 CB 1.365 14 residues pruned to eliminate duplicates Z: 26 11.901 1.638 0.368 0.606 0.800 0.680 CB 1.200 26 residues pruned to eliminate duplicates Z: 22 12.059 1.707 0.330 0.589 0.905 0.524 CB 1.176 22 residues pruned to eliminate duplicates Z: 26 15.182 1.672 0.405 0.625 0.920 0.560 CB 1.250 26 residues pruned to eliminate duplicates Z: 8 8.150 1.640 0.527 0.814 0.857 0.429 CB 1.092 8 residues pruned to eliminate duplicates Z: 11 10.160 1.722 0.273 0.789 0.900 0.800 CB 1.264 11 residues pruned to eliminate duplicates Z: 11 13.920 1.705 0.495 0.793 1.000 0.800 CB 1.335 11 residues pruned to eliminate duplicates Z: 11 12.226 1.715 0.558 0.884 1.000 0.700 CB 1.046 11 residues pruned to eliminate duplicates Z: 12 12.932 1.668 0.671 0.843 1.000 0.727 CB 1.041 12 residues pruned to eliminate duplicates Z: 11 14.327 1.739 0.561 0.816 1.000 0.900 CB 1.268 11 residues pruned to eliminate duplicates Z: 10 14.642 1.802 0.724 0.924 1.000 0.889 CB 1.103 10 residues pruned to eliminate duplicates Z: 12 11.743 1.664 0.710 0.849 1.000 0.455 CB 0.922 12 residues pruned to eliminate duplicates Z: 10 14.509 1.779 0.727 0.875 1.000 0.667 CB 1.144 10 residues pruned to eliminate duplicates Z: 54 36.931 2.069 0.456 0.825 0.925 0.679 CB 1.374 54 residues pruned to eliminate duplicates Z: 43 32.577 2.047 0.501 0.720 0.929 0.548 CB 1.443 42 residues pruned to eliminate duplicates Z: 15 25.339 2.025 0.610 0.913 1.000 0.786 CB 1.470 15 residues pruned to eliminate duplicates Z: 60 41.355 2.102 0.636 0.719 0.915 0.542 CB 1.404 60 residues pruned to eliminate duplicates Z: 36 31.644 2.132 0.561 0.735 0.886 0.514 CB 1.470 36 residues pruned to eliminate duplicates Z: 65 43.542 2.084 0.592 0.780 0.906 0.578 CB 1.414 65 residues pruned to eliminate duplicates Z: 33 34.587 2.165 0.596 0.802 0.906 0.438 CB 1.500 33 residues pruned to eliminate duplicates Z: 58 46.934 2.112 0.630 0.814 0.965 0.561 CB 1.424 58 residues pruned to eliminate duplicates Z: 43 33.213 2.061 0.658 0.710 0.881 0.476 CB 1.407 43 residues pruned to eliminate duplicates Z: 15 31.360 2.172 0.939 0.887 0.929 0.643 CB 1.544 15 residues pruned to eliminate duplicates Z: 37 36.000 2.154 0.586 0.737 0.917 0.417 CB 1.549 37 residues pruned to eliminate duplicates Z: 36 38.647 2.194 0.662 0.746 0.943 0.486 CB 1.526 37 residues pruned to eliminate duplicates Z: 15 32.895 2.165 0.903 0.925 1.000 0.500 CB 1.497 15 residues pruned to eliminate duplicates Z: 47 36.883 2.064 0.584 0.782 0.935 0.587 CB 1.389 47 residues pruned to eliminate duplicates Z: 46 36.683 2.066 0.622 0.786 0.911 0.511 CB 1.393 46 residues pruned to eliminate duplicates Z: 36 35.602 2.168 0.669 0.733 0.886 0.429 CB 1.522 36 residues pruned to eliminate duplicates Z: 38 37.091 2.118 0.700 0.755 0.892 0.514 CB 1.512 38 residues pruned to eliminate duplicates Z: 50 37.398 2.079 0.649 0.756 0.939 0.571 CB 1.322 50 residues pruned to eliminate duplicates Z: 40 34.943 2.095 0.571 0.763 0.923 0.487 CB 1.458 40 residues pruned to eliminate duplicates Z: 43 32.589 2.074 0.641 0.702 0.881 0.548 CB 1.395 43 residues pruned to eliminate duplicates Z: 46 33.711 2.061 0.549 0.752 0.911 0.311 CB 1.380 46 residues pruned to eliminate duplicates Z: 37 37.845 2.166 0.565 0.769 0.972 0.444 CB 1.508 37 residues pruned to eliminate duplicates Z: 40 35.150 2.113 0.600 0.767 0.923 0.462 CB 1.423 40 residues pruned to eliminate duplicates Z: 38 38.655 2.129 0.727 0.767 0.946 0.297 CB 1.442 38 residues pruned to eliminate duplicates Z: 40 35.088 2.083 0.602 0.746 0.923 0.359 CB 1.464 40 residues pruned to eliminate duplicates Z: 45 31.227 2.073 0.628 0.789 0.864 0.364 CB 1.254 45 residues pruned to eliminate duplicates Z: 63 36.425 2.059 0.610 0.687 0.855 0.355 CB 1.375 63 residues pruned to eliminate duplicates Z: 41 26.285 1.983 0.608 0.769 0.900 0.600 CB 1.141 41 residues pruned to eliminate duplicates Z: 37 40.754 2.158 0.718 0.772 0.972 0.361 CB 1.481 37 residues pruned to eliminate duplicates Z: 39 36.407 2.128 0.679 0.767 0.921 0.447 CB 1.418 39 residues pruned to eliminate duplicates Z: 50 31.751 2.054 0.546 0.750 0.857 0.367 CB 1.333 50 residues pruned to eliminate duplicates Z: 18 22.215 2.145 0.542 0.750 0.882 0.235 CB 1.477 18 residues pruned to eliminate duplicates Z: 40 28.876 2.060 0.481 0.719 0.872 0.487 CB 1.426 40 residues pruned to eliminate duplicates Z: 37 27.689 2.061 0.725 0.710 0.778 0.361 CB 1.379 37 residues pruned to eliminate duplicates Z: 36 36.620 2.162 0.796 0.732 0.857 0.400 CB 1.508 36 residues pruned to eliminate duplicates Z: 67 32.051 2.008 0.465 0.654 0.833 0.394 CB 1.394 67 residues pruned to eliminate duplicates Z: 68 39.036 2.019 0.588 0.688 0.881 0.463 CB 1.422 68 residues pruned to eliminate duplicates Z: 42 29.514 2.084 0.565 0.665 0.829 0.268 CB 1.464 42 residues pruned to eliminate duplicates Z: 53 30.729 2.036 0.544 0.647 0.885 0.346 CB 1.336 53 residues pruned to eliminate duplicates Z: 47 20.034 1.925 0.255 0.590 0.848 0.565 CB 1.323 47 residues pruned to eliminate duplicates Z: 77 51.083 2.096 0.599 0.732 0.947 0.618 CB 1.499 77 residues pruned to eliminate duplicates Z: 33 19.923 1.924 0.403 0.605 0.875 0.531 CB 1.349 33 residues pruned to eliminate duplicates Z: 68 34.533 2.051 0.514 0.659 0.866 0.388 CB 1.354 68 residues pruned to eliminate duplicates Z: 70 39.094 2.022 0.625 0.676 0.884 0.420 CB 1.377 70 residues pruned to eliminate duplicates Z: 104 65.838 2.124 0.718 0.768 0.942 0.612 CB 1.489 104 residues pruned to eliminate duplicates Z: 16 17.662 1.922 0.365 0.924 0.933 0.600 CB 1.308 16 residues pruned to eliminate duplicates Z: 71 42.862 2.057 0.539 0.747 0.914 0.471 CB 1.419 71 residues pruned to eliminate duplicates Z: 19 17.635 1.898 0.589 0.751 0.889 0.611 CB 1.240 19 residues pruned to eliminate duplicates Z: 75 45.960 2.042 0.584 0.687 0.932 0.595 CB 1.492 75 residues pruned to eliminate duplicates Z: 70 38.946 2.009 0.507 0.719 0.913 0.522 CB 1.392 70 residues pruned to eliminate duplicates Z: 71 43.512 2.059 0.580 0.730 0.929 0.443 CB 1.399 71 residues pruned to eliminate duplicates Z: 67 54.712 2.100 0.712 0.794 0.955 0.727 CB 1.516 67 residues pruned to eliminate duplicates Z: 72 46.109 2.039 0.672 0.751 0.915 0.451 CB 1.402 72 residues pruned to eliminate duplicates Z: 78 44.593 2.054 0.545 0.718 0.909 0.571 CB 1.445 78 residues pruned to eliminate duplicates Z: 36 25.128 1.906 0.414 0.718 0.943 0.514 CB 1.372 36 residues pruned to eliminate duplicates Z: 70 47.132 2.060 0.578 0.754 0.971 0.551 CB 1.434 70 residues pruned to eliminate duplicates Z: 57 38.586 1.996 0.586 0.736 0.982 0.500 CB 1.342 57 residues pruned to eliminate duplicates Z: 34 29.586 1.941 0.554 0.784 0.970 0.545 CB 1.372 34 residues pruned to eliminate duplicates Z: 50 26.638 1.924 0.494 0.674 0.857 0.551 CB 1.317 50 residues pruned to eliminate duplicates Z: 18 20.936 1.943 0.481 0.756 0.941 0.529 CB 1.493 18 residues pruned to eliminate duplicates Z: 71 44.957 2.054 0.666 0.735 0.900 0.443 CB 1.413 71 residues pruned to eliminate duplicates Z: 69 56.334 2.106 0.716 0.776 0.971 0.588 CB 1.527 69 residues pruned to eliminate duplicates Z: 102 66.117 2.127 0.730 0.765 0.950 0.505 CB 1.488 102 residues pruned to eliminate duplicates Z: 103 66.188 2.142 0.718 0.750 0.941 0.539 CB 1.514 103 residues pruned to eliminate duplicates Z: 103 65.648 2.125 0.719 0.762 0.931 0.510 CB 1.514 103 residues pruned to eliminate duplicates Z: 81 51.577 2.085 0.635 0.754 0.913 0.650 CB 1.478 81 residues pruned to eliminate duplicates Z: 93 51.905 2.064 0.616 0.715 0.870 0.500 CB 1.536 126 residues pruned to eliminate duplicates Z: 15 25.957 2.017 0.633 0.920 1.000 0.571 CB 1.484 15 residues pruned to eliminate duplicates Z: 100 62.973 2.118 0.737 0.763 0.919 0.505 CB 1.482 100 residues pruned to eliminate duplicates Z: 70 45.205 2.051 0.706 0.743 0.899 0.406 CB 1.393 70 residues pruned to eliminate duplicates Z: 26 54.426 2.346 0.879 0.905 0.960 0.800 CB 1.830 26 residues pruned to eliminate duplicates Z: 67 53.735 2.106 0.801 0.776 0.909 0.621 CB 1.504 67 residues pruned to eliminate duplicates Z: 27 51.462 2.330 0.855 0.828 1.000 0.538 CA 1.759 27 residues pruned to eliminate duplicates Z: 32 46.684 2.253 0.808 0.796 0.935 0.677 CB 1.698 32 residues pruned to eliminate duplicates Z: 30 50.665 2.307 0.839 0.874 0.966 0.517 CB 1.671 30 residues pruned to eliminate duplicates Z: 32 51.747 2.293 0.890 0.827 0.968 0.581 CB 1.670 32 residues pruned to eliminate duplicates Z: 35 42.376 2.204 0.823 0.757 0.941 0.500 CB 1.528 35 residues pruned to eliminate duplicates Z: 72 53.602 2.108 0.751 0.754 0.930 0.563 CB 1.479 72 residues pruned to eliminate duplicates Z: 65 55.077 2.107 0.825 0.784 0.891 0.531 CB 1.566 65 residues pruned to eliminate duplicates Z: 36 42.319 2.208 0.756 0.775 0.914 0.657 CB 1.584 36 residues pruned to eliminate duplicates Z: 32 54.262 2.296 0.943 0.829 0.968 0.677 CB 1.700 32 residues pruned to eliminate duplicates Z: 35 44.378 2.190 0.934 0.731 0.912 0.500 CB 1.601 35 residues pruned to eliminate duplicates Z: 104 66.722 2.127 0.766 0.761 0.942 0.476 CB 1.474 104 residues pruned to eliminate duplicates Z: 56 48.611 2.062 0.814 0.762 0.927 0.418 CB 1.497 56 residues pruned to eliminate duplicates Z: 33 46.973 2.243 0.739 0.794 0.969 0.531 CB 1.698 33 residues pruned to eliminate duplicates Z: 30 45.869 2.209 0.937 0.770 0.931 0.586 CB 1.683 30 residues pruned to eliminate duplicates Z: 27 55.708 2.339 1.189 0.836 0.962 0.423 CB 1.661 27 residues pruned to eliminate duplicates Z: 33 45.958 2.248 0.801 0.785 0.969 0.500 CB 1.611 33 residues pruned to eliminate duplicates Z: 32 48.843 2.282 0.896 0.822 0.935 0.484 CB 1.640 32 residues pruned to eliminate duplicates Z: 101 58.836 2.104 0.716 0.719 0.890 0.480 CB 1.503 101 residues pruned to eliminate duplicates Z: 99 59.931 2.085 0.748 0.758 0.898 0.480 CB 1.470 99 residues pruned to eliminate duplicates Z: 103 65.109 2.126 0.740 0.757 0.931 0.569 CB 1.488 103 residues pruned to eliminate duplicates Z: 103 62.900 2.089 0.813 0.750 0.902 0.441 CB 1.459 103 residues pruned to eliminate duplicates Z: 34 47.682 2.194 0.908 0.787 0.939 0.455 CB 1.640 34 residues pruned to eliminate duplicates Z: 32 50.104 2.262 0.887 0.822 0.968 0.516 CB 1.648 32 residues pruned to eliminate duplicates Z: 78 42.298 2.048 0.710 0.652 0.831 0.455 CB 1.438 78 residues pruned to eliminate duplicates Z: 30 23.428 1.986 0.548 0.642 0.931 0.621 CB 1.331 Z: 9 9.570 1.791 0.838 0.568 0.750 0.375 CB 1.284 9 residues pruned to eliminate duplicates Z: 30 23.972 1.992 0.580 0.710 0.862 0.690 CB 1.356 31 residues pruned to eliminate duplicates Z: 6 6.714 1.737 1.388 0.813 0.600 0.400 CB 0.919 6 residues pruned to eliminate duplicates Z: 58 35.772 2.020 0.630 0.668 0.860 0.544 CB 1.434 86 residues pruned to eliminate duplicates Z: 6 9.325 1.848 0.997 0.850 0.800 0.200 CB 1.046 Z: 6 8.660 1.830 0.966 0.838 0.800 0.400 CB 1.006 6 residues pruned to eliminate duplicates Z: 58 34.450 2.067 0.410 0.662 0.912 0.632 CB 1.477 66 residues pruned to eliminate duplicates Z: 15 23.048 2.131 0.397 0.892 0.929 0.786 CB 1.602 Z: 14 26.212 2.185 0.445 0.923 1.000 0.923 CA 1.618 14 residues pruned to eliminate duplicates Z: 15 26.310 2.139 0.446 0.899 1.000 0.857 CA 1.625 15 residues pruned to eliminate duplicates Z: 15 21.144 2.119 0.250 0.896 1.000 0.857 CA 1.529 15 residues pruned to eliminate duplicates Z: 56 31.441 2.060 0.329 0.657 0.873 0.564 CB 1.533 71 residues pruned to eliminate duplicates Z: 15 22.970 2.125 0.681 0.781 0.929 0.929 CA 1.445 Z: 13 15.983 1.877 0.358 0.839 1.000 0.833 CB 1.351 13 residues pruned to eliminate duplicates Z: 16 23.414 2.094 0.568 0.798 0.933 0.733 CB 1.520 16 residues pruned to eliminate duplicates Z: 15 24.536 2.149 0.485 0.897 0.929 0.857 CA 1.584 16 residues pruned to eliminate duplicates Z: 16 20.647 1.997 0.626 0.868 0.867 0.733 CB 1.385 16 residues pruned to eliminate duplicates Z: 11 15.930 1.994 0.764 0.647 0.800 0.800 CA 1.560 11 residues pruned to eliminate duplicates Z: 19 20.249 2.028 0.545 0.714 0.889 0.833 CB 1.411 19 residues pruned to eliminate duplicates Z: 11 21.033 1.996 0.823 0.837 0.900 0.800 CB 1.519 11 residues pruned to eliminate duplicates Z: 46 34.567 2.116 0.371 0.735 0.911 0.667 CB 1.579 46 residues pruned to eliminate duplicates Z: 58 32.946 2.073 0.473 0.659 0.825 0.596 CB 1.495 72 residues pruned to eliminate duplicates Z: 58 33.339 2.074 0.430 0.682 0.825 0.596 CB 1.527 58 residues pruned to eliminate duplicates Z: 45 35.201 2.148 0.463 0.719 0.864 0.636 CB 1.604 45 residues pruned to eliminate duplicates Z: 45 36.956 2.099 0.545 0.727 0.886 0.568 CB 1.579 45 residues pruned to eliminate duplicates Z: 9 7.492 2.021 0.386 0.504 0.625 0.375 N 1.506 Z: 7 7.992 2.091 0.377 0.510 0.667 0.500 CB 1.683 7 residues pruned to eliminate duplicates Z: 30 24.595 2.163 0.349 0.703 0.828 0.483 CB 1.572 39 residues pruned to eliminate duplicates Z: 45 39.394 2.136 0.543 0.729 0.909 0.614 CB 1.612 45 residues pruned to eliminate duplicates Z: 47 35.543 2.081 0.389 0.718 0.957 0.652 CB 1.556 47 residues pruned to eliminate duplicates Z: 57 36.010 2.045 0.528 0.635 0.911 0.554 CB 1.489 57 residues pruned to eliminate duplicates Z: 31 29.538 2.108 0.499 0.693 0.933 0.500 CB 1.533 31 residues pruned to eliminate duplicates Z: 38 29.479 2.112 0.448 0.666 0.865 0.595 CB 1.571 38 residues pruned to eliminate duplicates Z: 45 36.158 2.125 0.456 0.737 0.909 0.659 CB 1.567 45 residues pruned to eliminate duplicates Z: 123 62.557 2.095 0.621 0.704 0.918 0.623 CB 1.509 123 residues pruned to eliminate duplicates Z: 47 33.727 2.088 0.375 0.697 0.935 0.565 CB 1.548 47 residues pruned to eliminate duplicates Z: 28 34.909 2.171 0.460 0.783 0.963 0.593 CB 1.716 28 residues pruned to eliminate duplicates Z: 30 32.950 2.162 0.547 0.697 0.966 0.414 CB 1.583 30 residues pruned to eliminate duplicates Z: 45 35.292 2.116 0.465 0.724 0.909 0.545 CB 1.542 45 residues pruned to eliminate duplicates Z: 30 33.526 2.159 0.520 0.725 0.966 0.414 CB 1.603 30 residues pruned to eliminate duplicates Z: 45 40.095 2.143 0.558 0.734 0.932 0.659 CB 1.574 45 residues pruned to eliminate duplicates Z: 30 32.932 2.155 0.542 0.705 0.966 0.517 CB 1.582 30 residues pruned to eliminate duplicates Z: 46 40.102 2.107 0.635 0.709 0.933 0.600 CB 1.538 46 residues pruned to eliminate duplicates Z: 32 33.025 2.115 0.559 0.678 0.968 0.645 CB 1.578 32 residues pruned to eliminate duplicates Z: 32 26.702 2.100 0.548 0.660 0.806 0.419 CB 1.577 32 residues pruned to eliminate duplicates Z: 45 39.808 2.139 0.472 0.742 0.977 0.568 CB 1.571 44 residues pruned to eliminate duplicates Z: 16 31.814 1.999 0.895 0.905 1.000 0.467 CB 1.544 16 residues pruned to eliminate duplicates Z: 17 27.747 1.993 0.569 0.858 1.000 0.625 CB 1.634 17 residues pruned to eliminate duplicates Z: 31 33.265 2.110 0.593 0.705 0.967 0.433 CB 1.552 31 residues pruned to eliminate duplicates Z: 16 26.744 2.092 0.501 0.851 1.000 0.600 CB 1.627 16 residues pruned to eliminate duplicates Z: 25 29.747 2.093 0.793 0.794 1.000 0.500 CB 1.250 Z: 16 23.698 2.070 0.692 0.894 0.933 0.667 CB 1.343 16 residues pruned to eliminate duplicates Z: 24 23.427 2.080 0.662 0.812 0.870 0.348 CB 1.239 25 residues pruned to eliminate duplicates Z: 20 25.960 2.012 1.075 0.929 0.895 0.316 CB 1.115 17 residues pruned to eliminate duplicates Z: 20 23.381 1.970 1.143 0.803 0.895 0.316 CB 1.090 20 residues pruned to eliminate duplicates Z: 30 22.304 1.927 0.699 0.722 0.897 0.241 CB 1.154 30 residues pruned to eliminate duplicates Z: 28 29.817 1.987 1.000 0.820 0.926 0.333 CB 1.182 31 residues pruned to eliminate duplicates Z: 21 24.060 1.957 1.260 0.910 0.900 0.150 CB 0.958 21 residues pruned to eliminate duplicates Z: 23 23.383 2.075 0.817 0.761 0.909 0.273 CB 1.153 23 residues pruned to eliminate duplicates Z: 31 27.691 1.903 0.872 0.782 0.967 0.500 CB 1.145 31 residues pruned to eliminate duplicates Z: 21 22.192 2.108 0.872 0.817 0.800 0.250 CB 1.194 21 residues pruned to eliminate duplicates Z: 24 22.631 2.059 0.782 0.753 0.783 0.435 CB 1.311 24 residues pruned to eliminate duplicates Z: 23 25.977 2.063 1.007 0.819 0.909 0.364 CB 1.116 23 residues pruned to eliminate duplicates Z: 30 23.947 1.914 0.842 0.768 0.828 0.379 CB 1.203 30 residues pruned to eliminate duplicates Z: 24 23.013 2.070 0.669 0.759 0.870 0.304 CB 1.269 24 residues pruned to eliminate duplicates Z: 29 26.050 1.976 0.790 0.762 0.821 0.536 CB 1.342 31 residues pruned to eliminate duplicates Z: 6 8.962 1.799 0.464 0.644 1.000 0.600 CA 1.330 6 residues pruned to eliminate duplicates Z: 28 25.339 1.982 0.759 0.780 0.926 0.407 CB 1.180 28 residues pruned to eliminate duplicates Z: 7 2.451 1.364 0.647 0.182 0.833 0.500 CA 0.783 7 residues pruned to eliminate duplicates Z: 9 2.611 1.325 0.473 0.282 0.750 0.500 CB 0.806 4 residues pruned to eliminate duplicates 208 residues left after pruning, divided into chains as follows: A: 27 B: 26 C: 127 D: 28 CC for partial structure against native data = 31.52 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.416, Connect. = 0.739 for dens.mod. cycle 1 = 0.300, Contrast = 0.473, Connect. = 0.760 for dens.mod. cycle 2 = 0.300, Contrast = 0.554, Connect. = 0.789 for dens.mod. cycle 3 = 0.300, Contrast = 0.553, Connect. = 0.791 for dens.mod. cycle 4 = 0.300, Contrast = 0.560, Connect. = 0.793 for dens.mod. cycle 5 = 0.300, Contrast = 0.563, Connect. = 0.795 for dens.mod. cycle 6 = 0.300, Contrast = 0.567, Connect. = 0.797 for dens.mod. cycle 7 = 0.300, Contrast = 0.570, Connect. = 0.798 for dens.mod. cycle 8 = 0.300, Contrast = 0.573, Connect. = 0.799 for dens.mod. cycle 9 = 0.300, Contrast = 0.575, Connect. = 0.800 for dens.mod. cycle 10 TimeTaking 68.32