null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 23:23:19 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2okf-1.6-parrot-noncs/2okf-1.6-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2okf-1.6-parrot-noncs/2okf-1.6-parrot-noncs.ins Phases from ./2okf-1.6-parrot-noncs/2okf-1.6-parrot-noncs.phi Native data from ./2okf-1.6-parrot-noncs/2okf-1.6-parrot-noncs.hkl Listing output to ./2okf-1.6-parrot-noncs/2okf-1.6-parrot-noncs.lst Phases output to ./2okf-1.6-parrot-noncs/2okf-1.6-parrot-noncs.phs Poly-Ala trace output to ./2okf-1.6-parrot-noncs/2okf-1.6-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 31 Allowed origin shift code: 11 38581 Reflections read from file ./2okf-1.6-parrot-noncs/2okf-1.6-parrot-noncs.phi 38581 Reflections read from file ./2okf-1.6-parrot-noncs/2okf-1.6-parrot-noncs.hkl 38581 Unique data, highest resolution = 1.600 Angstroms Anisotropic scaling: intensities multiplied by 0.000075h^2 +0.000075k^2 -0.000049l^2 +0.000000kl +0.000000hl +0.000075hk 59 Reflections with d > 1.800 and 0 in range 1.800 > d > 1.600 added Density sharpening factor set to 1.35 Fourier grid = 128 x 128 x 46 0.000 <= z <= 0.333 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.636 ** -f missing ?? ** = 0.285, Contrast = 0.082, Connect. = 0.537 for dens.mod. cycle 1 = 0.300, Contrast = 0.259, Connect. = 0.608 for dens.mod. cycle 2 = 0.300, Contrast = 0.517, Connect. = 0.744 for dens.mod. cycle 3 = 0.300, Contrast = 0.628, Connect. = 0.783 for dens.mod. cycle 4 = 0.300, Contrast = 0.676, Connect. = 0.798 for dens.mod. cycle 5 = 0.300, Contrast = 0.700, Connect. = 0.806 for dens.mod. cycle 6 = 0.300, Contrast = 0.715, Connect. = 0.810 for dens.mod. cycle 7 = 0.300, Contrast = 0.725, Connect. = 0.813 for dens.mod. cycle 8 = 0.300, Contrast = 0.732, Connect. = 0.815 for dens.mod. cycle 9 = 0.300, Contrast = 0.736, Connect. = 0.816 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1389 peaks > 0.5 sigma used to seed fragment search Space for about 333 unique residues taking solvent into account 302 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 24 56.230 2.405 1.006 0.943 1.000 0.913 CB 1.685 B: 24 59.348 2.361 1.177 0.928 1.000 0.870 CB 1.686 C: 25 53.399 2.304 0.983 0.937 1.000 0.917 CB 1.660 25 residues pruned to eliminate duplicates D: 23 52.297 2.401 1.238 0.931 0.955 0.773 CB 1.519 23 residues pruned to eliminate duplicates E: 19 27.438 2.235 0.722 0.497 0.944 0.722 CB 1.785 F: 13 35.207 2.304 1.099 0.847 1.000 0.833 CB 1.560 G: 24 60.866 2.353 1.246 0.949 1.000 0.913 CB 1.658 24 residues pruned to eliminate duplicates H: 24 53.154 2.338 1.009 0.903 1.000 0.870 CB 1.682 24 residues pruned to eliminate duplicates I: 25 53.639 2.377 1.085 0.882 0.958 0.792 CB 1.669 25 residues pruned to eliminate duplicates J: 23 60.272 2.408 1.264 0.935 1.000 0.818 CB 1.643 23 residues pruned to eliminate duplicates K: 12 14.028 2.061 0.806 0.355 0.909 0.545 CB 1.462 L: 13 31.230 2.256 1.156 0.809 0.917 0.583 CB 1.545 13 residues pruned to eliminate duplicates M: 41 50.181 2.347 0.958 0.535 0.925 0.625 CB 1.804 13 residues pruned to eliminate duplicates N: 24 59.075 2.417 1.084 0.939 1.000 0.826 CB 1.699 24 residues pruned to eliminate duplicates O: 25 54.651 2.312 1.141 0.897 1.000 0.833 CB 1.614 23 residues pruned to eliminate duplicates P: 20 17.030 2.045 0.506 0.470 0.895 0.579 CB 1.463 Q: 11 39.692 2.486 1.037 0.904 1.000 1.000 CB 1.765 R: 12 37.321 2.437 1.069 0.831 1.000 0.727 CB 1.677 12 residues pruned to eliminate duplicates S: 13 31.169 2.256 0.988 0.829 1.000 0.833 CB 1.509 13 residues pruned to eliminate duplicates T: 23 53.463 2.454 0.924 0.934 1.000 0.955 CB 1.683 23 residues pruned to eliminate duplicates U: 24 57.905 2.363 1.183 0.898 0.957 0.826 CB 1.751 24 residues pruned to eliminate duplicates V: 24 47.024 2.372 0.695 0.939 1.000 0.913 CB 1.694 24 residues pruned to eliminate duplicates W: 23 58.500 2.448 1.229 0.942 0.955 0.818 CB 1.661 23 residues pruned to eliminate duplicates X: 12 31.507 2.410 0.957 0.839 0.909 0.545 CB 1.654 12 residues pruned to eliminate duplicates Y: 24 54.937 2.408 1.019 0.905 0.957 0.870 CB 1.753 24 residues pruned to eliminate duplicates Z: 12 36.576 2.438 1.029 0.834 1.000 1.000 CB 1.671 12 residues pruned to eliminate duplicates Z: 60 83.026 2.430 1.131 0.715 0.966 0.712 CB 1.778 56 residues pruned to eliminate duplicates Z: 25 51.245 2.364 0.946 0.904 0.958 0.750 CB 1.690 25 residues pruned to eliminate duplicates Z: 13 27.176 2.230 0.927 0.854 0.917 0.833 CB 1.471 13 residues pruned to eliminate duplicates Z: 16 25.410 2.172 1.054 0.621 0.867 0.667 CB 1.513 20 residues pruned to eliminate duplicates Z: 16 25.963 2.257 0.773 0.596 1.000 0.600 CB 1.528 12 residues pruned to eliminate duplicates Z: 16 31.495 2.057 0.850 0.919 1.000 0.867 CB 1.506 Z: 26 45.384 2.300 0.708 0.916 1.000 0.840 CB 1.632 27 residues pruned to eliminate duplicates Z: 16 30.448 1.998 0.903 0.940 1.000 0.800 CB 1.436 16 residues pruned to eliminate duplicates Z: 13 26.628 2.125 1.096 0.811 0.917 0.750 CB 1.436 13 residues pruned to eliminate duplicates Z: 23 51.368 2.367 1.001 0.912 1.000 0.864 CB 1.637 23 residues pruned to eliminate duplicates Z: 19 23.986 2.270 0.939 0.404 0.889 0.778 CB 1.599 8 residues pruned to eliminate duplicates Z: 74 82.427 2.422 1.114 0.641 0.959 0.712 CB 1.721 60 residues pruned to eliminate duplicates Z: 75 76.760 2.402 1.137 0.617 0.905 0.703 CB 1.719 75 residues pruned to eliminate duplicates Z: 12 34.007 2.293 0.948 0.903 1.000 0.818 CB 1.636 12 residues pruned to eliminate duplicates Z: 15 26.438 2.103 0.821 0.895 0.929 0.786 CB 1.424 Z: 15 29.117 2.156 0.618 0.908 1.000 0.786 CB 1.583 16 residues pruned to eliminate duplicates Z: 13 28.621 2.245 0.876 0.833 0.917 0.833 CB 1.605 13 residues pruned to eliminate duplicates Z: 14 35.616 2.227 0.912 0.938 1.000 0.769 CB 1.614 14 residues pruned to eliminate duplicates Z: 24 52.904 2.306 1.011 0.940 0.957 0.870 CB 1.727 24 residues pruned to eliminate duplicates Z: 11 39.380 2.517 0.969 0.893 1.000 1.000 CB 1.805 11 residues pruned to eliminate duplicates Z: 16 20.608 1.981 0.623 0.881 0.867 0.800 CB 1.382 15 residues pruned to eliminate duplicates Z: 13 30.218 2.254 1.045 0.807 1.000 0.833 CB 1.448 13 residues pruned to eliminate duplicates Z: 42 64.774 2.342 1.244 0.739 0.976 0.683 CB 1.592 42 residues pruned to eliminate duplicates Z: 10 16.969 2.060 1.039 0.600 0.889 0.778 CB 1.378 10 residues pruned to eliminate duplicates Z: 24 62.798 2.368 1.338 0.933 1.000 0.913 CB 1.649 24 residues pruned to eliminate duplicates Z: 23 59.838 2.437 1.323 0.926 0.955 0.727 CB 1.656 23 residues pruned to eliminate duplicates Z: 10 14.122 1.716 0.800 0.766 0.889 0.778 C 1.354 10 residues pruned to eliminate duplicates Z: 8 13.498 2.085 1.253 0.580 0.857 0.857 CB 1.174 8 residues pruned to eliminate duplicates Z: 25 54.885 2.364 1.018 0.909 1.000 0.708 CB 1.666 25 residues pruned to eliminate duplicates Z: 17 23.582 2.079 0.766 0.621 0.938 0.562 CB 1.527 17 residues pruned to eliminate duplicates Z: 15 25.623 2.066 0.661 0.894 1.000 0.714 CB 1.431 15 residues pruned to eliminate duplicates Z: 59 80.382 2.425 1.149 0.716 0.966 0.724 CB 1.726 59 residues pruned to eliminate duplicates Z: 15 30.304 2.110 0.841 0.905 1.000 0.571 CB 1.484 16 residues pruned to eliminate duplicates Z: 8 11.215 1.747 0.965 0.516 1.000 0.857 CB 1.216 8 residues pruned to eliminate duplicates Z: 16 32.426 1.982 0.896 0.927 1.000 0.733 CB 1.560 16 residues pruned to eliminate duplicates Z: 24 49.326 2.362 0.763 0.930 1.000 0.826 CB 1.727 24 residues pruned to eliminate duplicates Z: 73 80.696 2.439 1.156 0.667 0.917 0.736 CB 1.690 73 residues pruned to eliminate duplicates Z: 12 8.941 1.930 0.228 0.477 0.818 0.455 CB 1.423 12 residues pruned to eliminate duplicates Z: 25 58.591 2.385 1.091 0.922 1.000 0.917 CB 1.687 25 residues pruned to eliminate duplicates Z: 10 13.815 1.743 0.570 0.783 1.000 0.778 N 1.312 10 residues pruned to eliminate duplicates Z: 14 15.574 2.180 0.930 0.311 0.846 0.769 CB 1.495 14 residues pruned to eliminate duplicates Z: 25 54.124 2.364 0.999 0.914 1.000 0.917 CB 1.653 25 residues pruned to eliminate duplicates Z: 37 52.805 2.406 0.976 0.628 0.944 0.750 CB 1.738 37 residues pruned to eliminate duplicates Z: 16 29.537 2.033 0.840 0.925 1.000 0.800 CB 1.430 15 residues pruned to eliminate duplicates Z: 25 56.565 2.313 1.197 0.904 0.958 0.792 CB 1.690 25 residues pruned to eliminate duplicates Z: 8 15.851 1.780 0.751 0.853 1.000 1.000 CA 1.421 8 residues pruned to eliminate duplicates Z: 8 19.297 1.969 0.942 0.872 0.857 0.571 CA 1.622 8 residues pruned to eliminate duplicates Z: 19 21.084 2.007 1.072 0.441 0.944 0.611 CB 1.344 19 residues pruned to eliminate duplicates Z: 12 15.228 2.038 0.853 0.675 0.727 0.545 CA 1.423 12 residues pruned to eliminate duplicates Z: 38 57.717 2.409 1.039 0.609 0.973 0.649 CB 1.790 38 residues pruned to eliminate duplicates Z: 19 20.512 2.132 0.887 0.369 0.889 0.667 CB 1.555 19 residues pruned to eliminate duplicates Z: 39 52.521 2.331 1.105 0.584 0.895 0.684 CB 1.790 39 residues pruned to eliminate duplicates Z: 9 9.030 1.909 0.460 0.779 0.625 0.500 CA 1.433 9 residues pruned to eliminate duplicates Z: 23 54.965 2.437 1.094 0.949 0.955 0.909 CB 1.661 23 residues pruned to eliminate duplicates Z: 11 12.766 1.857 0.444 0.793 0.900 0.500 CA 1.294 11 residues pruned to eliminate duplicates Z: 16 31.019 2.010 0.856 0.939 1.000 0.667 CB 1.492 16 residues pruned to eliminate duplicates Z: 21 22.648 2.254 0.620 0.588 0.850 0.600 CB 1.500 21 residues pruned to eliminate duplicates Z: 16 22.735 2.005 0.500 0.903 1.000 0.800 CB 1.391 16 residues pruned to eliminate duplicates Z: 12 34.928 2.251 1.262 0.875 1.000 0.818 CB 1.505 12 residues pruned to eliminate duplicates Z: 62 72.809 2.465 1.066 0.675 0.869 0.689 CB 1.792 62 residues pruned to eliminate duplicates Z: 12 30.355 2.321 0.970 0.840 1.000 0.909 CB 1.493 12 residues pruned to eliminate duplicates Z: 20 12.394 1.880 0.706 0.397 0.737 0.526 CB 1.341 20 residues pruned to eliminate duplicates Z: 6 7.979 1.909 0.568 0.442 0.800 0.600 N 1.581 6 residues pruned to eliminate duplicates Z: 8 18.574 2.050 0.945 0.772 0.857 0.571 CB 1.614 8 residues pruned to eliminate duplicates Z: 24 49.511 2.345 0.839 0.934 1.000 0.957 CB 1.669 24 residues pruned to eliminate duplicates Z: 24 56.320 2.332 1.121 0.930 1.000 0.913 CB 1.659 24 residues pruned to eliminate duplicates Z: 16 28.989 2.045 0.792 0.921 1.000 0.733 CB 1.438 16 residues pruned to eliminate duplicates Z: 13 26.446 2.209 0.884 0.851 1.000 0.833 CB 1.358 13 residues pruned to eliminate duplicates Z: 12 32.310 2.384 0.938 0.829 1.000 0.818 CB 1.587 12 residues pruned to eliminate duplicates Z: 24 54.791 2.378 1.025 0.938 1.000 0.870 CB 1.649 24 residues pruned to eliminate duplicates Z: 15 26.775 2.081 0.735 0.910 1.000 0.857 CB 1.406 15 residues pruned to eliminate duplicates Z: 39 49.218 2.340 0.937 0.617 0.895 0.684 CB 1.762 39 residues pruned to eliminate duplicates Z: 24 59.109 2.370 1.148 0.936 1.000 0.870 CB 1.685 24 residues pruned to eliminate duplicates Z: 23 55.362 2.437 0.999 0.926 1.000 0.864 CB 1.699 23 residues pruned to eliminate duplicates Z: 51 47.503 2.345 1.057 0.496 0.860 0.660 CB 1.626 51 residues pruned to eliminate duplicates Z: 59 85.271 2.459 1.167 0.732 0.966 0.690 CB 1.767 60 residues pruned to eliminate duplicates Z: 12 23.113 2.383 0.578 0.825 0.909 0.909 CB 1.539 12 residues pruned to eliminate duplicates Z: 12 22.261 2.330 0.776 0.843 0.818 0.818 CB 1.477 12 residues pruned to eliminate duplicates Z: 16 23.526 1.979 0.578 0.908 1.000 0.800 CB 1.382 16 residues pruned to eliminate duplicates Z: 24 55.573 2.379 1.254 0.911 0.957 0.652 CB 1.601 24 residues pruned to eliminate duplicates Z: 9 15.964 1.828 0.737 0.833 1.000 1.000 CA 1.334 9 residues pruned to eliminate duplicates Z: 15 28.306 2.170 0.735 0.905 0.929 0.571 CB 1.540 15 residues pruned to eliminate duplicates Z: 42 59.306 2.428 1.185 0.595 0.927 0.659 CB 1.720 42 residues pruned to eliminate duplicates Z: 74 77.508 2.407 1.042 0.634 0.959 0.781 CB 1.698 74 residues pruned to eliminate duplicates Z: 20 35.389 2.163 1.194 0.731 0.947 0.737 CB 1.467 14 residues pruned to eliminate duplicates Z: 14 33.356 2.255 0.735 0.901 1.000 0.692 CB 1.687 14 residues pruned to eliminate duplicates Z: 12 36.631 2.397 1.209 0.843 1.000 0.727 CB 1.553 12 residues pruned to eliminate duplicates Z: 23 50.179 2.407 0.928 0.921 1.000 0.909 CB 1.623 23 residues pruned to eliminate duplicates Z: 15 24.182 2.116 0.537 0.895 1.000 0.857 CB 1.425 15 residues pruned to eliminate duplicates Z: 14 29.115 2.215 0.664 0.889 1.000 0.692 CB 1.578 14 residues pruned to eliminate duplicates Z: 36 55.910 2.474 0.971 0.647 0.943 0.771 CB 1.791 36 residues pruned to eliminate duplicates Z: 19 23.187 2.199 0.990 0.427 0.833 0.611 CB 1.618 19 residues pruned to eliminate duplicates Z: 23 49.765 2.398 0.802 0.924 1.000 0.909 CB 1.724 23 residues pruned to eliminate duplicates Z: 14 23.722 2.236 0.379 0.908 0.923 0.769 CB 1.642 14 residues pruned to eliminate duplicates Z: 42 51.393 2.317 1.093 0.563 0.878 0.683 CB 1.773 42 residues pruned to eliminate duplicates Z: 7 9.986 1.793 0.458 0.793 1.000 0.500 CB 1.206 7 residues pruned to eliminate duplicates Z: 24 58.548 2.435 1.226 0.936 0.957 0.826 CB 1.640 24 residues pruned to eliminate duplicates Z: 13 33.954 2.237 1.166 0.849 0.917 0.833 CB 1.636 13 residues pruned to eliminate duplicates Z: 20 30.177 2.182 0.996 0.726 0.895 0.684 CB 1.449 15 residues pruned to eliminate duplicates Z: 26 47.346 2.316 0.903 0.857 0.960 0.800 CB 1.649 25 residues pruned to eliminate duplicates Z: 25 50.449 2.250 1.196 0.911 0.958 0.458 CB 1.541 25 residues pruned to eliminate duplicates Z: 18 20.607 2.037 0.820 0.550 0.882 0.647 CB 1.455 18 residues pruned to eliminate duplicates Z: 35 73.742 2.508 1.169 0.828 1.000 0.853 CB 1.751 36 residues pruned to eliminate duplicates Z: 24 59.568 2.412 1.149 0.928 1.000 0.913 CB 1.678 23 residues pruned to eliminate duplicates Z: 7 4.439 1.673 0.356 0.462 0.667 0.500 CA 1.246 7 residues pruned to eliminate duplicates Z: 15 22.949 2.063 0.514 0.877 1.000 0.786 CB 1.426 15 residues pruned to eliminate duplicates Z: 15 25.408 2.052 0.751 0.897 0.929 0.857 CA 1.456 15 residues pruned to eliminate duplicates Z: 23 46.293 2.371 0.938 0.921 0.955 0.864 CB 1.583 23 residues pruned to eliminate duplicates Z: 24 61.290 2.403 1.153 0.935 1.000 0.913 CB 1.721 24 residues pruned to eliminate duplicates Z: 23 48.686 2.392 0.934 0.913 1.000 0.818 CB 1.588 23 residues pruned to eliminate duplicates Z: 17 23.460 2.099 0.950 0.607 0.875 0.688 CB 1.479 17 residues pruned to eliminate duplicates Z: 26 38.944 2.406 0.696 0.813 0.880 0.760 CB 1.652 26 residues pruned to eliminate duplicates Z: 11 13.318 2.129 0.631 0.330 0.900 0.500 CA 1.624 11 residues pruned to eliminate duplicates Z: 12 30.265 2.309 0.845 0.869 1.000 1.000 CB 1.564 12 residues pruned to eliminate duplicates Z: 22 21.418 2.098 1.165 0.355 0.762 0.571 CB 1.579 22 residues pruned to eliminate duplicates Z: 12 28.975 2.363 1.005 0.847 0.909 0.909 CB 1.507 12 residues pruned to eliminate duplicates Z: 24 50.781 2.324 0.933 0.929 1.000 0.913 CB 1.650 24 residues pruned to eliminate duplicates Z: 24 50.896 2.390 1.001 0.934 1.000 0.826 CB 1.547 24 residues pruned to eliminate duplicates Z: 15 33.736 2.318 0.839 0.906 1.000 0.857 CB 1.505 15 residues pruned to eliminate duplicates Z: 24 62.527 2.415 1.175 0.946 1.000 0.913 CB 1.716 24 residues pruned to eliminate duplicates Z: 14 10.925 1.879 0.486 0.364 0.923 0.538 CB 1.361 14 residues pruned to eliminate duplicates Z: 11 44.557 2.480 1.153 0.927 1.000 1.000 CB 1.849 11 residues pruned to eliminate duplicates Z: 20 28.723 2.132 0.845 0.737 0.947 0.579 CB 1.430 21 residues pruned to eliminate duplicates Z: 13 21.858 2.266 0.552 0.820 1.000 0.833 CB 1.359 13 residues pruned to eliminate duplicates Z: 56 71.690 2.460 0.998 0.749 0.927 0.764 CB 1.698 56 residues pruned to eliminate duplicates Z: 11 34.000 2.386 1.183 0.885 1.000 0.800 CB 1.491 11 residues pruned to eliminate duplicates Z: 6 13.594 1.900 0.975 0.749 1.000 0.800 CB 1.297 6 residues pruned to eliminate duplicates Z: 16 24.229 2.226 1.007 0.502 0.800 0.600 CB 1.747 16 residues pruned to eliminate duplicates Z: 11 9.071 1.688 0.871 0.411 0.800 0.500 CB 1.246 11 residues pruned to eliminate duplicates Z: 16 21.238 2.229 0.587 0.563 0.933 0.667 CB 1.562 16 residues pruned to eliminate duplicates Z: 19 30.898 2.176 1.060 0.768 0.889 0.778 CB 1.442 19 residues pruned to eliminate duplicates Z: 14 28.382 2.147 0.751 0.907 0.923 0.769 CB 1.612 14 residues pruned to eliminate duplicates Z: 16 16.201 2.000 0.607 0.523 0.867 0.600 CB 1.468 16 residues pruned to eliminate duplicates Z: 22 53.089 2.230 1.329 0.936 1.000 0.667 CB 1.553 22 residues pruned to eliminate duplicates Z: 25 53.303 2.276 0.980 0.930 1.000 0.917 CB 1.689 25 residues pruned to eliminate duplicates Z: 20 32.508 2.168 1.011 0.728 0.947 0.737 CB 1.471 21 residues pruned to eliminate duplicates Z: 52 63.488 2.404 1.188 0.555 0.922 0.706 CB 1.737 52 residues pruned to eliminate duplicates Z: 15 32.183 2.133 0.912 0.926 1.000 0.714 CB 1.480 15 residues pruned to eliminate duplicates Z: 15 20.455 2.197 0.680 0.604 0.857 0.643 CB 1.566 15 residues pruned to eliminate duplicates Z: 73 83.816 2.459 1.084 0.667 0.958 0.819 CB 1.724 73 residues pruned to eliminate duplicates Z: 7 4.372 1.734 0.185 0.563 1.000 0.667 CB 0.817 7 residues pruned to eliminate duplicates Z: 24 46.560 2.313 0.900 0.918 1.000 0.826 CB 1.558 24 residues pruned to eliminate duplicates Z: 40 48.540 2.338 0.940 0.583 0.897 0.513 CB 1.763 40 residues pruned to eliminate duplicates Z: 72 74.610 2.370 1.077 0.666 0.915 0.746 CB 1.685 72 residues pruned to eliminate duplicates Z: 24 55.627 2.351 1.044 0.925 1.000 0.870 CB 1.694 24 residues pruned to eliminate duplicates Z: 24 40.469 2.263 0.792 0.880 1.000 0.870 CB 1.507 24 residues pruned to eliminate duplicates Z: 70 80.435 2.434 1.125 0.676 0.942 0.725 CB 1.689 70 residues pruned to eliminate duplicates Z: 8 9.680 1.877 0.619 0.599 0.714 0.714 CA 1.533 8 residues pruned to eliminate duplicates Z: 6 5.238 1.719 0.599 0.413 0.800 0.600 CB 1.166 Z: 19 19.002 1.967 0.637 0.530 0.889 0.500 CB 1.519 19 residues pruned to eliminate duplicates Z: 8 8.111 1.914 0.401 0.459 0.857 0.714 O 1.391 8 residues pruned to eliminate duplicates Z: 12 14.717 2.053 0.972 0.399 0.909 0.545 CB 1.341 12 residues pruned to eliminate duplicates Z: 23 63.332 2.436 1.345 0.954 1.000 0.864 CB 1.625 24 residues pruned to eliminate duplicates Z: 24 62.358 2.367 1.376 0.959 1.000 0.783 CB 1.586 24 residues pruned to eliminate duplicates Z: 60 75.140 2.432 1.061 0.739 0.966 0.695 CB 1.631 60 residues pruned to eliminate duplicates Z: 33 46.073 2.400 0.894 0.595 0.906 0.750 CB 1.806 33 residues pruned to eliminate duplicates Z: 19 18.965 2.112 0.660 0.503 0.833 0.500 CB 1.525 19 residues pruned to eliminate duplicates Z: 11 29.597 2.394 0.764 0.879 1.000 0.800 CB 1.608 11 residues pruned to eliminate duplicates Z: 11 17.084 2.100 0.650 0.686 0.800 0.300 CB 1.645 11 residues pruned to eliminate duplicates Z: 16 17.048 2.111 0.450 0.611 0.867 0.600 CB 1.494 16 residues pruned to eliminate duplicates Z: 49 55.094 2.347 1.008 0.498 0.958 0.688 CB 1.764 49 residues pruned to eliminate duplicates Z: 26 16.822 2.029 0.805 0.289 0.840 0.480 CB 1.386 26 residues pruned to eliminate duplicates Z: 14 13.565 1.919 0.746 0.520 0.846 0.538 CA 1.301 14 residues pruned to eliminate duplicates Z: 23 57.323 2.438 1.109 0.922 1.000 0.955 CB 1.672 23 residues pruned to eliminate duplicates Z: 23 58.683 2.392 1.326 0.942 1.000 0.955 CB 1.559 23 residues pruned to eliminate duplicates Z: 37 50.483 2.436 0.912 0.606 0.944 0.639 CB 1.729 37 residues pruned to eliminate duplicates Z: 24 64.550 2.381 1.337 0.958 1.000 0.957 CB 1.659 24 residues pruned to eliminate duplicates Z: 38 49.734 2.334 0.896 0.600 0.973 0.757 CB 1.727 38 residues pruned to eliminate duplicates Z: 9 6.642 1.836 0.482 0.346 0.875 0.750 CA 1.165 6 residues pruned to eliminate duplicates Z: 69 73.342 2.365 1.122 0.618 0.912 0.691 CB 1.738 69 residues pruned to eliminate duplicates Z: 7 14.886 1.981 0.869 0.886 0.833 0.667 CA 1.422 7 residues pruned to eliminate duplicates Z: 13 30.515 2.384 0.784 0.641 1.000 0.917 CB 1.816 13 residues pruned to eliminate duplicates Z: 16 22.616 1.989 0.517 0.908 1.000 0.800 CB 1.374 16 residues pruned to eliminate duplicates Z: 17 11.187 2.012 0.229 0.548 0.812 0.562 CB 1.328 17 residues pruned to eliminate duplicates Z: 6 3.571 1.687 -0.160 0.643 1.000 0.800 CB 0.986 Z: 20 28.827 2.069 0.967 0.783 0.895 0.632 CB 1.415 20 residues pruned to eliminate duplicates Z: 26 32.244 2.036 1.084 0.722 0.880 0.720 CB 1.413 26 residues pruned to eliminate duplicates Z: 23 46.117 2.392 0.696 0.939 1.000 0.955 CB 1.684 23 residues pruned to eliminate duplicates Z: 24 53.378 2.350 0.935 0.927 1.000 1.000 CB 1.715 24 residues pruned to eliminate duplicates Z: 14 41.761 2.426 1.265 0.868 1.000 0.923 CB 1.541 14 residues pruned to eliminate duplicates Z: 6 4.987 1.787 -0.116 0.716 0.800 0.800 CB 1.452 6 residues pruned to eliminate duplicates Z: 20 28.495 2.072 1.114 0.684 0.895 0.632 CB 1.409 20 residues pruned to eliminate duplicates Z: 41 54.033 2.309 1.027 0.675 0.950 0.625 CB 1.635 41 residues pruned to eliminate duplicates Z: 11 12.457 1.677 0.639 0.838 0.800 0.500 CB 1.338 11 residues pruned to eliminate duplicates Z: 15 23.530 2.064 0.660 0.915 0.929 0.500 CB 1.397 15 residues pruned to eliminate duplicates Z: 7 17.405 2.278 0.652 0.650 1.000 0.500 CB 1.642 7 residues pruned to eliminate duplicates Z: 69 86.488 2.454 1.141 0.681 0.971 0.765 CB 1.741 69 residues pruned to eliminate duplicates Z: 53 52.204 2.333 0.962 0.513 0.904 0.615 CB 1.728 53 residues pruned to eliminate duplicates Z: 23 53.044 2.298 1.073 0.921 1.000 0.909 CB 1.671 23 residues pruned to eliminate duplicates Z: 6 11.396 2.136 0.672 0.582 0.800 0.800 CA 1.648 6 residues pruned to eliminate duplicates Z: 52 71.641 2.387 1.059 0.722 0.961 0.843 CB 1.738 52 residues pruned to eliminate duplicates Z: 13 36.652 2.413 1.130 0.846 1.000 0.833 CB 1.530 13 residues pruned to eliminate duplicates Z: 14 30.883 2.235 0.933 0.684 1.000 0.923 CB 1.675 14 residues pruned to eliminate duplicates Z: 7 7.667 1.721 0.263 0.764 1.000 0.667 CB 1.139 7 residues pruned to eliminate duplicates Z: 21 49.385 2.463 1.015 0.885 0.950 0.900 CB 1.692 21 residues pruned to eliminate duplicates Z: 14 27.272 2.247 0.446 0.899 1.000 0.923 CB 1.664 14 residues pruned to eliminate duplicates Z: 6 12.046 1.917 0.428 0.805 1.000 1.000 CA 1.508 6 residues pruned to eliminate duplicates Z: 35 65.645 2.478 1.088 0.814 1.000 0.735 CB 1.656 35 residues pruned to eliminate duplicates Z: 13 4.765 1.656 0.106 0.288 0.917 0.583 CB 1.040 13 residues pruned to eliminate duplicates Z: 15 33.374 2.326 0.709 0.919 1.000 0.929 CB 1.581 15 residues pruned to eliminate duplicates Z: 15 22.015 2.013 0.795 0.895 0.857 0.643 CB 1.362 15 residues pruned to eliminate duplicates Z: 61 75.223 2.388 1.133 0.700 0.950 0.717 CB 1.673 61 residues pruned to eliminate duplicates Z: 100 79.973 2.391 1.059 0.528 0.929 0.707 CB 1.708 124 residues pruned to eliminate duplicates Z: 20 28.399 2.081 0.914 0.779 0.895 0.789 CB 1.429 20 residues pruned to eliminate duplicates Z: 101 85.338 2.400 0.977 0.663 0.900 0.740 CB 1.718 101 residues pruned to eliminate duplicates Z: 15 26.149 2.030 0.765 0.887 1.000 0.643 CB 1.406 14 residues pruned to eliminate duplicates Z: 23 35.237 2.331 0.544 0.910 1.000 0.955 CB 1.481 Z: 11 42.688 2.468 1.142 0.913 1.000 0.900 CB 1.807 11 residues pruned to eliminate duplicates Z: 8 9.301 1.924 0.520 0.623 0.857 0.714 CB 1.248 9 residues pruned to eliminate duplicates Z: 6 3.478 1.710 -0.335 0.729 1.000 0.800 C 1.112 6 residues pruned to eliminate duplicates Z: 116 102.481 2.414 1.070 0.658 0.948 0.696 CB 1.742 97 residues pruned to eliminate duplicates Z: 15 26.535 1.971 0.811 0.877 1.000 0.857 CB 1.444 15 residues pruned to eliminate duplicates Z: 45 66.065 2.411 1.098 0.726 0.955 0.795 CB 1.682 45 residues pruned to eliminate duplicates Z: 7 12.349 2.064 0.640 0.610 0.833 0.500 CB 1.611 7 residues pruned to eliminate duplicates Z: 11 9.452 1.785 0.580 0.468 0.800 0.600 CB 1.368 11 residues pruned to eliminate duplicates Z: 26 31.974 2.330 0.821 0.521 0.880 0.640 CB 1.678 26 residues pruned to eliminate duplicates Z: 10 15.842 1.980 0.544 0.673 1.000 0.889 CA 1.473 Z: 15 37.425 2.272 1.374 0.906 0.929 0.714 CB 1.420 15 residues pruned to eliminate duplicates Z: 10 27.312 2.336 0.776 0.811 1.000 0.889 CB 1.674 8 residues pruned to eliminate duplicates Z: 25 58.587 2.259 1.289 0.943 1.000 0.958 CB 1.602 25 residues pruned to eliminate duplicates Z: 6 11.758 1.793 0.727 0.702 1.000 0.400 CA 1.413 6 residues pruned to eliminate duplicates Z: 7 2.208 1.659 -0.085 0.353 0.833 0.500 CB 0.835 Z: 6 13.074 2.177 0.527 0.664 1.000 0.800 CA 1.510 Z: 10 18.890 1.941 0.843 0.677 1.000 0.667 CA 1.496 10 residues pruned to eliminate duplicates Z: 12 15.433 2.021 1.122 0.369 0.818 0.636 CB 1.525 7 residues pruned to eliminate duplicates 202 residues left after pruning, divided into chains as follows: A: 20 B: 16 C: 21 D: 18 E: 13 F: 90 G: 12 H: 12 CC for partial structure against native data = 32.62 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.482, Connect. = 0.734 for dens.mod. cycle 1 = 0.300, Contrast = 0.559, Connect. = 0.766 for dens.mod. cycle 2 = 0.300, Contrast = 0.676, Connect. = 0.800 for dens.mod. cycle 3 = 0.300, Contrast = 0.692, Connect. = 0.805 for dens.mod. cycle 4 = 0.300, Contrast = 0.710, Connect. = 0.809 for dens.mod. cycle 5 = 0.300, Contrast = 0.719, Connect. = 0.812 for dens.mod. cycle 6 = 0.300, Contrast = 0.728, Connect. = 0.814 for dens.mod. cycle 7 = 0.300, Contrast = 0.733, Connect. = 0.815 for dens.mod. cycle 8 = 0.300, Contrast = 0.738, Connect. = 0.816 for dens.mod. cycle 9 = 0.300, Contrast = 0.741, Connect. = 0.817 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1545 peaks > 0.5 sigma used to seed fragment search Space for about 333 unique residues taking solvent into account 324 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 34.278 2.496 0.688 0.857 1.000 0.909 CB 1.808 B: 12 36.713 2.508 0.829 0.847 1.000 0.818 CB 1.791 12 residues pruned to eliminate duplicates C: 13 36.029 2.404 0.889 0.831 1.000 0.833 CB 1.721 D: 13 35.330 2.409 0.861 0.847 1.000 0.750 CB 1.690 13 residues pruned to eliminate duplicates E: 12 36.261 2.464 0.768 0.913 1.000 0.818 CB 1.777 12 residues pruned to eliminate duplicates F: 25 62.698 2.404 1.023 0.917 1.000 0.833 CB 1.858 G: 15 30.722 2.137 0.780 0.859 1.000 0.929 CB 1.588 15 residues pruned to eliminate duplicates H: 23 49.362 2.414 0.896 0.909 0.955 0.727 CB 1.709 23 residues pruned to eliminate duplicates I: 55 62.662 2.371 0.982 0.561 0.963 0.704 CB 1.775 12 residues pruned to eliminate duplicates J: 25 59.084 2.428 0.856 0.938 1.000 0.917 CB 1.862 25 residues pruned to eliminate duplicates K: 12 28.604 2.417 0.593 0.853 1.000 0.909 CB 1.656 12 residues pruned to eliminate duplicates L: 65 70.374 2.411 0.862 0.665 0.938 0.734 CB 1.794 43 residues pruned to eliminate duplicates M: 40 42.502 2.472 0.599 0.521 0.923 0.641 CB 1.828 13 residues pruned to eliminate duplicates N: 24 61.461 2.429 1.105 0.905 0.957 0.870 CB 1.866 25 residues pruned to eliminate duplicates O: 14 30.909 2.390 0.399 0.913 1.000 0.923 CB 1.815 P: 75 82.724 2.504 0.830 0.647 0.973 0.662 CB 1.880 64 residues pruned to eliminate duplicates Q: 16 27.888 2.409 0.684 0.610 0.933 0.667 CB 1.713 R: 12 36.404 2.485 1.061 0.844 0.909 0.909 CB 1.755 12 residues pruned to eliminate duplicates S: 16 26.592 2.180 0.399 0.925 1.000 0.800 CB 1.580 15 residues pruned to eliminate duplicates T: 24 44.332 2.271 0.818 0.926 0.957 0.870 CB 1.642 25 residues pruned to eliminate duplicates U: 13 30.697 2.336 0.872 0.852 0.917 0.917 CB 1.635 13 residues pruned to eliminate duplicates V: 17 22.475 2.176 0.801 0.554 0.875 0.625 CB 1.555 W: 26 39.295 2.219 0.571 0.923 0.960 0.880 CB 1.650 26 residues pruned to eliminate duplicates X: 11 38.908 2.601 0.810 0.860 1.000 0.900 CB 1.922 11 residues pruned to eliminate duplicates Y: 24 62.643 2.487 1.028 0.936 1.000 0.870 CB 1.804 24 residues pruned to eliminate duplicates Z: 25 68.924 2.392 1.247 0.940 1.000 0.833 CB 1.818 25 residues pruned to eliminate duplicates Z: 24 59.485 2.435 0.973 0.914 1.000 0.826 CB 1.826 24 residues pruned to eliminate duplicates Z: 16 23.419 2.132 0.301 0.918 1.000 0.867 CB 1.538 16 residues pruned to eliminate duplicates Z: 10 12.682 2.005 0.721 0.589 0.889 0.667 CB 1.265 10 residues pruned to eliminate duplicates Z: 25 57.408 2.479 0.824 0.903 1.000 0.833 CB 1.848 25 residues pruned to eliminate duplicates Z: 24 50.458 2.377 0.690 0.942 0.957 0.870 CB 1.899 24 residues pruned to eliminate duplicates Z: 27 55.154 2.513 0.803 0.846 0.962 0.769 CB 1.845 27 residues pruned to eliminate duplicates Z: 16 25.632 2.149 0.348 0.950 1.000 0.733 CB 1.576 16 residues pruned to eliminate duplicates Z: 8 9.994 2.047 0.946 0.434 0.714 0.571 CB 1.421 8 residues pruned to eliminate duplicates Z: 16 26.321 2.129 0.683 0.853 0.933 0.667 CB 1.501 Z: 17 27.879 2.262 0.823 0.644 0.938 0.688 CB 1.577 17 residues pruned to eliminate duplicates Z: 14 29.332 2.279 0.679 0.825 1.000 0.769 CB 1.604 14 residues pruned to eliminate duplicates Z: 24 59.416 2.469 0.901 0.936 1.000 0.913 CB 1.837 24 residues pruned to eliminate duplicates Z: 24 51.950 2.284 0.918 0.946 1.000 0.913 CB 1.709 24 residues pruned to eliminate duplicates Z: 25 45.492 2.363 0.572 0.890 1.000 0.833 CB 1.798 25 residues pruned to eliminate duplicates Z: 17 24.530 2.188 0.832 0.614 0.938 0.625 CB 1.465 17 residues pruned to eliminate duplicates Z: 60 84.298 2.536 0.929 0.715 0.983 0.678 CB 1.878 60 residues pruned to eliminate duplicates Z: 25 62.805 2.464 0.958 0.912 1.000 0.792 CB 1.881 25 residues pruned to eliminate duplicates Z: 17 31.926 2.084 0.565 0.909 1.000 0.875 CB 1.737 15 residues pruned to eliminate duplicates Z: 18 20.893 2.060 1.010 0.440 1.000 0.706 CB 1.302 18 residues pruned to eliminate duplicates Z: 16 28.321 2.142 0.632 0.922 1.000 0.800 CB 1.472 16 residues pruned to eliminate duplicates Z: 24 44.062 2.295 0.752 0.930 0.957 0.870 CB 1.670 24 residues pruned to eliminate duplicates Z: 13 31.996 2.414 0.718 0.833 1.000 0.833 CB 1.671 13 residues pruned to eliminate duplicates Z: 12 13.411 2.232 0.105 0.682 0.818 0.636 CB 1.696 12 residues pruned to eliminate duplicates Z: 63 69.207 2.377 0.854 0.711 0.952 0.726 CB 1.731 63 residues pruned to eliminate duplicates Z: 16 30.908 2.297 0.756 0.934 0.933 0.733 CB 1.479 16 residues pruned to eliminate duplicates Z: 25 56.489 2.440 0.880 0.893 0.958 0.917 CB 1.883 25 residues pruned to eliminate duplicates Z: 24 51.038 2.323 1.057 0.924 0.957 0.913 CB 1.635 24 residues pruned to eliminate duplicates Z: 23 65.438 2.520 1.228 0.926 0.955 0.682 CB 1.825 23 residues pruned to eliminate duplicates Z: 12 34.610 2.490 0.618 0.875 1.000 0.818 CB 1.884 12 residues pruned to eliminate duplicates Z: 15 37.167 2.266 0.863 0.926 1.000 0.786 CB 1.650 16 residues pruned to eliminate duplicates Z: 12 28.346 2.432 0.655 0.891 0.909 0.909 CB 1.680 12 residues pruned to eliminate duplicates Z: 17 25.551 2.262 0.621 0.574 1.000 0.562 CB 1.622 16 residues pruned to eliminate duplicates Z: 16 28.428 2.171 0.641 0.906 0.933 0.667 CB 1.570 16 residues pruned to eliminate duplicates Z: 15 33.049 2.277 0.607 0.915 1.000 0.786 CB 1.707 16 residues pruned to eliminate duplicates Z: 23 52.965 2.326 1.074 0.941 0.955 0.909 CB 1.701 23 residues pruned to eliminate duplicates Z: 9 9.290 1.907 0.458 0.682 0.625 0.500 CA 1.600 9 residues pruned to eliminate duplicates Z: 26 59.747 2.345 1.053 0.941 1.000 0.680 CB 1.722 26 residues pruned to eliminate duplicates Z: 16 30.102 2.153 0.593 0.942 1.000 0.800 CB 1.571 16 residues pruned to eliminate duplicates Z: 24 43.443 2.257 0.714 0.938 1.000 0.913 CA 1.629 24 residues pruned to eliminate duplicates Z: 16 33.915 2.114 0.877 0.938 0.933 0.600 CB 1.644 15 residues pruned to eliminate duplicates Z: 87 67.679 2.450 0.765 0.540 0.907 0.709 CB 1.790 113 residues pruned to eliminate duplicates Z: 7 13.073 1.963 0.483 0.778 1.000 0.500 CB 1.435 7 residues pruned to eliminate duplicates Z: 19 23.020 2.195 0.767 0.451 0.944 0.556 CB 1.557 19 residues pruned to eliminate duplicates Z: 12 17.985 2.478 0.139 0.847 0.909 0.909 CB 1.569 12 residues pruned to eliminate duplicates Z: 55 48.433 2.406 0.694 0.497 0.944 0.593 CB 1.718 55 residues pruned to eliminate duplicates Z: 8 15.081 2.043 0.597 0.739 0.857 0.429 CB 1.646 8 residues pruned to eliminate duplicates Z: 11 19.229 2.318 0.500 0.690 0.800 0.700 CA 1.836 11 residues pruned to eliminate duplicates Z: 15 28.033 2.385 0.739 0.623 1.000 0.571 CB 1.608 16 residues pruned to eliminate duplicates Z: 24 63.619 2.455 1.014 0.931 1.000 0.870 CB 1.875 24 residues pruned to eliminate duplicates Z: 24 52.958 2.295 0.986 0.945 1.000 0.783 CB 1.676 Z: 11 17.667 2.287 0.546 0.718 0.700 0.600 CA 1.854 11 residues pruned to eliminate duplicates Z: 65 74.696 2.402 0.965 0.692 0.938 0.703 CB 1.770 89 residues pruned to eliminate duplicates Z: 23 51.143 2.332 0.902 0.924 1.000 0.864 CB 1.725 Z: 24 40.861 2.244 0.618 0.934 1.000 0.913 CA 1.635 24 residues pruned to eliminate duplicates Z: 74 82.908 2.482 0.943 0.644 0.959 0.712 CB 1.834 74 residues pruned to eliminate duplicates Z: 25 49.076 2.265 0.835 0.926 1.000 0.833 CA 1.691 23 residues pruned to eliminate duplicates Z: 12 35.257 2.398 0.861 0.877 1.000 0.909 CB 1.731 12 residues pruned to eliminate duplicates Z: 17 24.220 2.115 0.488 0.902 1.000 0.625 CB 1.373 17 residues pruned to eliminate duplicates Z: 10 13.174 1.986 0.376 0.824 0.778 0.556 CB 1.561 10 residues pruned to eliminate duplicates Z: 6 3.783 1.413 0.357 0.489 0.800 0.200 CA 1.116 6 residues pruned to eliminate duplicates Z: 24 52.300 2.296 0.930 0.931 1.000 0.870 CB 1.720 24 residues pruned to eliminate duplicates Z: 6 14.182 2.016 0.755 0.775 1.000 0.800 CB 1.406 6 residues pruned to eliminate duplicates Z: 16 33.817 2.200 0.826 0.915 1.000 0.867 CB 1.536 16 residues pruned to eliminate duplicates Z: 25 48.648 2.411 0.608 0.888 1.000 0.833 CB 1.845 25 residues pruned to eliminate duplicates Z: 25 41.296 2.188 0.715 0.911 1.000 0.875 CB 1.592 25 residues pruned to eliminate duplicates Z: 13 27.221 2.351 1.029 0.822 0.833 0.833 CB 1.496 13 residues pruned to eliminate duplicates Z: 24 46.518 2.264 0.729 0.914 1.000 0.826 CB 1.752 24 residues pruned to eliminate duplicates Z: 24 49.862 2.276 1.077 0.912 0.913 0.870 CB 1.706 24 residues pruned to eliminate duplicates Z: 9 12.347 1.809 0.617 0.741 0.875 0.875 CB 1.374 9 residues pruned to eliminate duplicates Z: 24 54.243 2.425 0.763 0.941 1.000 0.913 CB 1.837 24 residues pruned to eliminate duplicates Z: 9 13.840 1.710 0.644 0.707 1.000 0.875 CA 1.443 9 residues pruned to eliminate duplicates Z: 15 32.859 2.270 0.666 0.926 1.000 0.857 CB 1.628 16 residues pruned to eliminate duplicates Z: 12 22.449 2.163 0.384 0.930 1.000 0.909 CB 1.581 12 residues pruned to eliminate duplicates Z: 12 37.459 2.452 1.086 0.856 1.000 0.818 CB 1.629 12 residues pruned to eliminate duplicates Z: 11 9.550 1.773 0.677 0.408 0.900 0.700 CB 1.242 11 residues pruned to eliminate duplicates Z: 12 37.315 2.540 0.864 0.854 1.000 0.909 CB 1.755 12 residues pruned to eliminate duplicates Z: 20 36.228 2.245 0.929 0.734 0.947 0.684 CB 1.641 16 residues pruned to eliminate duplicates Z: 8 10.634 2.063 0.302 0.791 0.714 0.714 CA 1.623 8 residues pruned to eliminate duplicates Z: 12 41.774 2.428 1.179 0.898 1.000 0.818 CB 1.704 12 residues pruned to eliminate duplicates Z: 10 15.810 2.171 0.437 0.500 1.000 0.778 CB 1.690 10 residues pruned to eliminate duplicates Z: 15 29.814 2.270 0.527 0.930 1.000 0.857 CB 1.607 15 residues pruned to eliminate duplicates Z: 43 48.319 2.397 0.841 0.542 0.881 0.548 CB 1.840 43 residues pruned to eliminate duplicates Z: 8 10.339 1.843 0.045 0.855 1.000 1.000 C 1.496 8 residues pruned to eliminate duplicates Z: 73 84.438 2.524 0.876 0.665 0.958 0.639 CB 1.882 73 residues pruned to eliminate duplicates Z: 16 35.039 2.164 0.951 0.922 1.000 0.800 CB 1.507 16 residues pruned to eliminate duplicates Z: 14 24.631 2.260 0.783 0.796 0.923 0.923 CB 1.418 14 residues pruned to eliminate duplicates Z: 33 52.084 2.552 0.959 0.564 0.938 0.688 CB 1.847 33 residues pruned to eliminate duplicates Z: 22 15.989 1.994 0.720 0.403 0.905 0.619 CB 1.245 21 residues pruned to eliminate duplicates Z: 16 18.863 2.134 0.926 0.512 0.933 0.667 CB 1.254 16 residues pruned to eliminate duplicates Z: 22 30.412 2.307 0.508 0.568 1.000 0.714 CB 1.785 22 residues pruned to eliminate duplicates Z: 18 25.345 2.270 0.719 0.490 0.882 0.647 CA 1.804 18 residues pruned to eliminate duplicates Z: 16 18.275 2.000 0.704 0.538 0.933 0.733 CB 1.429 16 residues pruned to eliminate duplicates Z: 16 30.056 2.157 0.704 0.921 1.000 0.800 CB 1.486 16 residues pruned to eliminate duplicates Z: 39 46.457 2.413 0.739 0.589 0.947 0.737 CB 1.741 39 residues pruned to eliminate duplicates Z: 40 74.830 2.550 1.033 0.765 0.974 0.667 CB 1.875 40 residues pruned to eliminate duplicates Z: 21 34.092 2.198 0.978 0.744 0.950 0.700 CB 1.484 16 residues pruned to eliminate duplicates Z: 11 20.619 2.288 0.460 0.760 0.900 0.700 CA 1.721 11 residues pruned to eliminate duplicates Z: 9 20.167 1.954 0.797 0.782 1.000 0.625 CA 1.585 9 residues pruned to eliminate duplicates Z: 70 56.643 2.319 0.682 0.612 0.928 0.681 CB 1.695 112 residues pruned to eliminate duplicates Z: 15 26.147 2.153 0.824 0.876 0.929 0.786 CB 1.392 15 residues pruned to eliminate duplicates Z: 12 26.545 2.426 0.635 0.851 1.000 0.909 CB 1.493 12 residues pruned to eliminate duplicates Z: 61 87.758 2.548 0.971 0.732 0.967 0.733 CB 1.894 61 residues pruned to eliminate duplicates Z: 33 61.701 2.572 0.778 0.768 0.969 0.875 CB 1.942 33 residues pruned to eliminate duplicates Z: 24 49.354 2.340 0.940 0.935 0.957 0.870 CB 1.652 Z: 17 18.377 2.172 0.767 0.395 0.875 0.500 CA 1.528 17 residues pruned to eliminate duplicates Z: 12 32.066 2.423 0.843 0.891 0.909 0.909 CB 1.713 12 residues pruned to eliminate duplicates Z: 9 18.908 2.003 0.537 0.870 1.000 0.750 CB 1.585 9 residues pruned to eliminate duplicates Z: 11 18.840 1.866 0.548 0.863 1.000 0.500 CB 1.513 10 residues pruned to eliminate duplicates Z: 6 9.219 1.834 0.387 0.805 1.000 1.000 CB 1.242 6 residues pruned to eliminate duplicates Z: 25 63.555 2.500 0.959 0.939 1.000 0.875 CB 1.841 25 residues pruned to eliminate duplicates Z: 9 17.914 1.998 0.525 0.774 1.000 0.625 CA 1.633 9 residues pruned to eliminate duplicates Z: 74 83.245 2.513 0.924 0.666 0.959 0.781 CB 1.802 74 residues pruned to eliminate duplicates Z: 11 10.702 1.833 0.899 0.320 0.900 0.400 CB 1.318 11 residues pruned to eliminate duplicates Z: 74 74.339 2.481 0.849 0.631 0.918 0.671 CB 1.826 74 residues pruned to eliminate duplicates Z: 18 17.937 2.197 0.808 0.300 0.882 0.706 CB 1.552 18 residues pruned to eliminate duplicates Z: 25 47.818 2.248 0.815 0.907 1.000 0.875 CB 1.700 25 residues pruned to eliminate duplicates Z: 16 26.427 2.349 0.516 0.604 1.000 0.667 CB 1.736 Z: 24 51.369 2.279 0.887 0.943 1.000 0.913 CB 1.727 23 residues pruned to eliminate duplicates Z: 40 66.184 2.427 1.008 0.767 0.974 0.769 CB 1.761 40 residues pruned to eliminate duplicates Z: 23 49.202 2.343 1.178 0.905 0.909 0.773 CB 1.609 23 residues pruned to eliminate duplicates Z: 25 54.132 2.377 0.974 0.912 0.958 0.833 CB 1.740 25 residues pruned to eliminate duplicates Z: 21 35.740 2.195 0.895 0.737 1.000 0.700 CB 1.554 21 residues pruned to eliminate duplicates Z: 9 11.583 1.835 0.728 0.529 1.000 0.500 CB 1.255 8 residues pruned to eliminate duplicates Z: 20 16.007 2.084 0.423 0.423 0.947 0.632 CB 1.416 20 residues pruned to eliminate duplicates Z: 12 11.293 1.680 0.278 0.858 0.818 0.545 C 1.429 12 residues pruned to eliminate duplicates Z: 16 26.415 2.144 0.543 0.896 1.000 0.733 CB 1.477 16 residues pruned to eliminate duplicates Z: 18 20.667 2.253 0.621 0.505 0.941 0.588 CB 1.451 18 residues pruned to eliminate duplicates Z: 24 43.066 2.416 0.467 0.931 1.000 0.957 CB 1.771 24 residues pruned to eliminate duplicates Z: 12 33.918 2.369 0.999 0.860 1.000 0.909 CB 1.588 12 residues pruned to eliminate duplicates Z: 24 40.094 2.219 0.563 0.942 1.000 0.957 CA 1.671 24 residues pruned to eliminate duplicates Z: 6 5.012 1.917 0.108 0.713 1.000 0.800 CB 0.870 6 residues pruned to eliminate duplicates Z: 20 20.169 2.062 0.748 0.448 0.895 0.632 CB 1.513 20 residues pruned to eliminate duplicates Z: 16 20.444 2.167 0.601 0.548 0.933 0.600 CB 1.555 16 residues pruned to eliminate duplicates Z: 16 28.644 2.124 0.725 0.915 1.000 0.867 CB 1.426 16 residues pruned to eliminate duplicates Z: 7 12.887 2.183 0.403 0.710 0.833 0.833 CA 1.704 7 residues pruned to eliminate duplicates Z: 15 29.620 2.246 0.535 0.923 1.000 0.786 CB 1.614 15 residues pruned to eliminate duplicates Z: 24 47.324 2.219 0.956 0.904 0.957 0.739 CB 1.693 24 residues pruned to eliminate duplicates Z: 24 22.502 2.152 0.788 0.327 0.913 0.435 CB 1.614 24 residues pruned to eliminate duplicates Z: 16 25.973 2.055 0.761 0.908 1.000 0.467 CB 1.316 16 residues pruned to eliminate duplicates Z: 25 57.072 2.254 1.118 0.939 1.000 0.792 CB 1.696 25 residues pruned to eliminate duplicates Z: 24 49.567 2.287 0.894 0.946 1.000 0.870 CB 1.650 24 residues pruned to eliminate duplicates Z: 32 42.047 2.422 0.703 0.629 0.935 0.742 CB 1.733 32 residues pruned to eliminate duplicates Z: 12 8.697 1.658 0.306 0.846 0.818 0.455 CA 1.100 12 residues pruned to eliminate duplicates Z: 16 23.542 2.114 0.297 0.921 1.000 0.933 CA 1.560 16 residues pruned to eliminate duplicates Z: 18 23.603 2.243 0.676 0.563 1.000 0.529 CB 1.432 18 residues pruned to eliminate duplicates Z: 13 23.259 2.296 0.536 0.854 1.000 0.917 CB 1.406 13 residues pruned to eliminate duplicates Z: 62 77.440 2.406 0.941 0.713 0.984 0.738 CB 1.779 87 residues pruned to eliminate duplicates Z: 15 21.659 2.180 0.270 0.881 1.000 0.643 CB 1.514 15 residues pruned to eliminate duplicates Z: 25 45.828 2.201 0.883 0.902 0.958 0.833 CB 1.680 Z: 77 74.442 2.341 0.898 0.630 0.974 0.724 CB 1.747 79 residues pruned to eliminate duplicates Z: 72 70.385 2.437 0.867 0.590 0.944 0.606 CB 1.785 72 residues pruned to eliminate duplicates Z: 23 46.835 2.331 0.966 0.927 0.955 0.909 CB 1.599 24 residues pruned to eliminate duplicates Z: 24 55.188 2.320 1.012 0.943 1.000 0.870 CB 1.708 24 residues pruned to eliminate duplicates Z: 24 44.862 2.265 0.705 0.936 1.000 0.870 CA 1.687 24 residues pruned to eliminate duplicates Z: 24 47.551 2.398 0.803 0.900 0.957 0.739 CB 1.713 24 residues pruned to eliminate duplicates Z: 24 36.933 2.243 0.687 0.892 0.957 0.826 CB 1.529 24 residues pruned to eliminate duplicates Z: 14 26.257 2.209 0.509 0.908 1.000 0.846 CB 1.552 14 residues pruned to eliminate duplicates Z: 15 30.542 2.108 0.848 0.929 1.000 0.429 CB 1.466 15 residues pruned to eliminate duplicates Z: 16 20.255 2.234 0.707 0.558 0.867 0.667 CB 1.496 16 residues pruned to eliminate duplicates Z: 18 28.014 2.210 0.898 0.577 0.941 0.765 CB 1.597 17 residues pruned to eliminate duplicates Z: 6 4.475 1.921 0.314 0.433 0.600 0.600 CB 1.415 6 residues pruned to eliminate duplicates Z: 15 29.407 2.224 0.342 0.929 1.000 1.000 CB 1.844 15 residues pruned to eliminate duplicates Z: 17 33.999 2.273 0.866 0.913 1.000 1.000 CB 1.418 17 residues pruned to eliminate duplicates Z: 7 7.746 1.833 1.092 0.522 0.833 0.833 CA 0.968 7 residues pruned to eliminate duplicates Z: 37 45.208 2.389 0.773 0.571 0.889 0.694 CB 1.869 37 residues pruned to eliminate duplicates Z: 25 61.668 2.471 0.904 0.924 1.000 0.875 CB 1.879 25 residues pruned to eliminate duplicates Z: 7 14.525 2.273 0.386 0.708 1.000 1.000 CA 1.558 7 residues pruned to eliminate duplicates Z: 13 12.554 2.034 0.846 0.464 0.667 0.500 CB 1.501 13 residues pruned to eliminate duplicates Z: 76 77.655 2.424 0.888 0.701 0.960 0.747 CB 1.699 76 residues pruned to eliminate duplicates Z: 15 9.757 1.769 0.745 0.359 0.786 0.643 CA 1.251 15 residues pruned to eliminate duplicates Z: 33 37.724 2.438 0.569 0.597 0.906 0.594 CB 1.753 33 residues pruned to eliminate duplicates Z: 43 46.749 2.398 0.746 0.547 0.881 0.643 CB 1.867 43 residues pruned to eliminate duplicates Z: 8 8.834 1.764 0.539 0.760 0.857 0.571 CA 1.139 8 residues pruned to eliminate duplicates Z: 23 49.555 2.452 0.812 0.916 0.955 0.909 CB 1.759 23 residues pruned to eliminate duplicates Z: 26 40.247 2.395 0.460 0.862 0.960 0.880 CB 1.760 26 residues pruned to eliminate duplicates Z: 19 20.381 2.077 0.862 0.433 0.889 0.778 CB 1.497 19 residues pruned to eliminate duplicates Z: 8 3.079 1.364 0.155 0.415 0.857 0.571 CB 0.941 6 residues pruned to eliminate duplicates Z: 73 85.436 2.553 0.960 0.657 0.931 0.736 CB 1.869 73 residues pruned to eliminate duplicates Z: 49 55.943 2.476 0.856 0.551 0.938 0.708 CB 1.782 49 residues pruned to eliminate duplicates Z: 24 47.509 2.299 0.891 0.935 0.957 0.870 CB 1.659 24 residues pruned to eliminate duplicates Z: 38 66.229 2.495 1.012 0.764 0.946 0.811 CB 1.814 38 residues pruned to eliminate duplicates Z: 7 10.295 2.148 -0.170 0.843 1.000 0.500 CB 1.756 7 residues pruned to eliminate duplicates Z: 39 40.758 2.318 0.684 0.563 0.895 0.711 CB 1.782 60 residues pruned to eliminate duplicates Z: 7 3.152 1.520 0.296 0.284 0.833 0.667 CB 1.000 Z: 16 23.996 2.321 0.754 0.591 0.933 0.600 CB 1.495 16 residues pruned to eliminate duplicates Z: 24 43.785 2.277 0.673 0.927 1.000 0.957 CA 1.679 24 residues pruned to eliminate duplicates Z: 55 50.542 2.335 0.752 0.591 0.926 0.648 CB 1.663 79 residues pruned to eliminate duplicates Z: 13 8.374 2.084 0.093 0.378 0.917 0.583 CB 1.319 13 residues pruned to eliminate duplicates Z: 37 51.606 2.524 0.727 0.635 0.917 0.583 CB 1.896 37 residues pruned to eliminate duplicates Z: 13 15.324 2.266 0.796 0.319 0.917 0.750 CB 1.448 14 residues pruned to eliminate duplicates Z: 24 50.224 2.416 0.666 0.911 1.000 0.826 CB 1.844 24 residues pruned to eliminate duplicates Z: 10 13.376 1.935 0.441 0.818 0.889 0.556 CA 1.364 10 residues pruned to eliminate duplicates Z: 7 9.867 2.015 0.221 0.713 0.833 0.833 CB 1.619 7 residues pruned to eliminate duplicates Z: 11 9.840 1.948 0.542 0.245 1.000 0.500 CB 1.390 7 residues pruned to eliminate duplicates Z: 116 95.817 2.459 0.868 0.649 0.939 0.670 CB 1.802 79 residues pruned to eliminate duplicates Z: 8 14.380 2.044 0.905 0.390 1.000 0.571 CB 1.568 8 residues pruned to eliminate duplicates Z: 11 9.432 1.768 0.485 0.381 0.900 0.600 CB 1.433 Z: 24 56.543 2.302 1.099 0.954 1.000 0.652 CB 1.678 Z: 10 13.017 1.896 0.454 0.818 1.000 0.889 CB 1.194 10 residues pruned to eliminate duplicates Z: 9 7.123 2.055 0.312 0.421 0.750 0.500 CB 1.351 9 residues pruned to eliminate duplicates Z: 21 31.226 2.169 0.800 0.748 0.900 0.700 CB 1.593 21 residues pruned to eliminate duplicates Z: 55 69.418 2.581 0.692 0.640 0.963 0.722 CB 1.970 55 residues pruned to eliminate duplicates Z: 11 29.893 2.336 0.872 0.824 1.000 0.700 CA 1.633 11 residues pruned to eliminate duplicates Z: 76 79.402 2.412 0.948 0.639 0.947 0.707 CB 1.810 111 residues pruned to eliminate duplicates Z: 18 40.741 2.230 1.005 0.915 0.941 0.765 CB 1.659 Z: 33 38.830 2.264 0.893 0.508 0.938 0.656 CB 1.695 33 residues pruned to eliminate duplicates Z: 35 37.622 2.342 0.641 0.549 0.941 0.618 CB 1.699 35 residues pruned to eliminate duplicates Z: 8 15.068 2.171 0.478 0.697 1.000 0.571 CB 1.482 8 residues pruned to eliminate duplicates Z: 34 48.979 2.340 0.818 0.672 0.970 0.636 CB 1.763 53 residues pruned to eliminate duplicates Z: 6 4.913 1.854 0.131 0.396 1.000 0.600 CA 1.168 Z: 11 15.295 1.835 0.771 0.804 0.800 0.800 CA 1.426 11 residues pruned to eliminate duplicates Z: 7 6.381 1.649 0.374 0.548 0.833 0.667 CA 1.316 7 residues pruned to eliminate duplicates Z: 24 59.821 2.514 0.954 0.916 1.000 0.826 CB 1.794 24 residues pruned to eliminate duplicates Z: 17 28.314 2.340 0.844 0.610 0.938 0.750 CB 1.577 6 residues pruned to eliminate duplicates Z: 9 22.284 2.249 0.737 0.778 1.000 0.625 CA 1.578 9 residues pruned to eliminate duplicates Z: 12 28.328 2.286 0.782 0.726 1.000 0.909 CA 1.711 12 residues pruned to eliminate duplicates Z: 10 8.872 2.048 0.575 0.234 0.778 0.556 CA 1.605 10 residues pruned to eliminate duplicates Z: 48 67.445 2.487 0.819 0.713 0.957 0.723 CB 1.873 48 residues pruned to eliminate duplicates Z: 6 13.265 2.107 0.736 0.631 1.000 0.800 CB 1.434 6 residues pruned to eliminate duplicates Z: 11 12.075 2.167 0.299 0.465 0.900 0.800 CB 1.562 11 residues pruned to eliminate duplicates Z: 17 27.738 2.244 0.655 0.637 1.000 0.688 CB 1.642 17 residues pruned to eliminate duplicates Z: 7 5.760 1.827 0.122 0.550 1.000 0.667 CB 1.093 Z: 65 68.506 2.497 0.865 0.561 0.938 0.688 CB 1.848 65 residues pruned to eliminate duplicates Z: 25 48.711 2.328 0.955 0.921 0.958 0.583 CB 1.604 25 residues pruned to eliminate duplicates Z: 9 16.016 2.134 0.374 0.776 1.000 0.750 CA 1.513 9 residues pruned to eliminate duplicates Z: 76 74.026 2.425 0.829 0.638 0.933 0.720 CB 1.814 76 residues pruned to eliminate duplicates Z: 18 56.438 2.442 1.244 0.882 1.000 0.882 CB 1.807 18 residues pruned to eliminate duplicates Z: 19 16.163 2.147 0.511 0.299 0.889 0.667 CB 1.653 12 residues pruned to eliminate duplicates Z: 52 63.373 2.393 0.870 0.684 0.961 0.804 CB 1.743 52 residues pruned to eliminate duplicates Z: 8 8.291 2.146 0.133 0.510 0.857 0.429 CB 1.489 8 residues pruned to eliminate duplicates Z: 16 19.901 2.015 0.383 0.858 0.933 0.600 CB 1.455 16 residues pruned to eliminate duplicates Z: 20 22.460 2.102 0.701 0.547 0.947 0.474 CB 1.453 19 residues pruned to eliminate duplicates Z: 52 64.068 2.418 0.853 0.648 0.980 0.647 CB 1.779 70 residues pruned to eliminate duplicates Z: 15 28.593 2.224 0.389 0.934 1.000 1.000 CB 1.725 15 residues pruned to eliminate duplicates Z: 46 72.643 2.492 0.883 0.754 0.978 0.778 CB 1.882 46 residues pruned to eliminate duplicates Z: 11 20.687 2.012 0.741 0.689 1.000 0.900 CA 1.571 Z: 30 34.553 2.299 0.822 0.487 0.897 0.655 CB 1.732 30 residues pruned to eliminate duplicates Z: 48 56.253 2.266 0.983 0.689 0.915 0.745 CB 1.679 48 residues pruned to eliminate duplicates Z: 35 44.964 2.258 0.949 0.696 0.912 0.706 CB 1.606 46 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 20 37.130 2.329 0.893 0.725 0.947 0.737 CB 1.664 20 residues pruned to eliminate duplicates Z: 35 35.175 2.241 0.707 0.599 0.882 0.588 CB 1.626 36 residues pruned to eliminate duplicates Z: 15 27.600 2.266 0.311 0.931 1.000 0.714 CB 1.736 15 residues pruned to eliminate duplicates Z: 22 31.379 2.142 0.885 0.686 0.952 0.762 CB 1.501 22 residues pruned to eliminate duplicates Z: 16 29.326 2.158 0.721 0.904 0.933 0.733 CB 1.556 16 residues pruned to eliminate duplicates Z: 22 30.893 2.156 0.926 0.654 0.905 0.714 CB 1.556 22 residues pruned to eliminate duplicates Z: 22 27.628 2.139 0.752 0.664 0.905 0.762 CB 1.528 22 residues pruned to eliminate duplicates Z: 15 35.910 2.268 0.915 0.801 1.000 0.643 CB 1.699 15 residues pruned to eliminate duplicates Z: 21 34.114 2.251 0.878 0.679 0.950 0.800 CB 1.611 21 residues pruned to eliminate duplicates Z: 20 40.444 2.293 0.940 0.771 1.000 0.632 CB 1.640 21 residues pruned to eliminate duplicates Z: 16 36.561 2.164 0.889 0.871 1.000 0.533 CB 1.684 16 residues pruned to eliminate duplicates Z: 36 35.076 2.220 0.824 0.583 0.886 0.714 CB 1.527 36 residues pruned to eliminate duplicates Z: 21 38.403 2.236 1.019 0.752 0.950 0.800 CB 1.598 21 residues pruned to eliminate duplicates Z: 21 34.387 2.240 0.886 0.694 0.950 0.600 CB 1.605 21 residues pruned to eliminate duplicates Z: 21 33.436 2.220 0.969 0.699 0.900 0.500 CB 1.585 21 residues pruned to eliminate duplicates Z: 6 3.497 1.523 1.151 0.294 0.600 0.400 CA 1.002 6 residues pruned to eliminate duplicates Z: 22 35.648 2.123 1.186 0.721 0.952 0.714 CB 1.442 22 residues pruned to eliminate duplicates Z: 23 30.877 2.111 1.020 0.663 0.909 0.682 CB 1.460 23 residues pruned to eliminate duplicates Z: 9 9.430 2.029 0.439 0.576 0.750 0.500 CA 1.416 9 residues pruned to eliminate duplicates Z: 18 19.526 2.186 0.611 0.567 0.824 0.588 CB 1.531 18 residues pruned to eliminate duplicates Z: 17 25.458 2.258 0.744 0.619 0.875 0.688 CB 1.651 17 residues pruned to eliminate duplicates Z: 7 2.766 1.328 0.387 0.356 0.667 0.333 CA 1.075 7 residues pruned to eliminate duplicates Z: 16 19.612 2.197 0.725 0.545 0.867 0.600 CB 1.475 15 residues pruned to eliminate duplicates Z: 6 6.016 1.544 1.216 0.466 0.800 0.600 N 1.018 6 residues pruned to eliminate duplicates Z: 7 23.423 2.343 0.956 0.737 1.000 0.833 CB 1.687 7 residues pruned to eliminate duplicates Z: 10 12.879 2.063 0.637 0.577 0.889 0.778 CB 1.328 10 residues pruned to eliminate duplicates Z: 15 24.471 2.379 0.745 0.623 0.929 0.643 CB 1.511 15 residues pruned to eliminate duplicates Z: 21 32.539 2.232 0.725 0.775 0.950 0.800 CB 1.560 Z: 9 19.529 2.014 0.555 0.898 1.000 0.625 CB 1.577 9 residues pruned to eliminate duplicates Z: 20 31.638 2.275 0.774 0.701 0.947 0.684 CB 1.581 20 residues pruned to eliminate duplicates Z: 28 23.182 2.000 0.747 0.565 0.889 0.519 CB 1.348 28 residues pruned to eliminate duplicates Z: 22 32.399 2.131 0.956 0.738 0.952 0.571 CB 1.438 22 residues pruned to eliminate duplicates Z: 16 29.536 2.166 0.658 0.898 1.000 0.800 CB 1.519 16 residues pruned to eliminate duplicates Z: 21 35.049 2.234 0.867 0.715 1.000 0.800 CB 1.547 21 residues pruned to eliminate duplicates Z: 16 36.708 2.160 0.948 0.895 1.000 0.533 CB 1.615 16 residues pruned to eliminate duplicates Z: 21 33.965 2.152 1.074 0.691 0.950 0.600 CB 1.504 21 residues pruned to eliminate duplicates Z: 20 31.915 2.216 0.840 0.726 0.947 0.684 CB 1.547 20 residues pruned to eliminate duplicates Z: 21 34.674 2.219 0.964 0.727 0.950 0.800 CB 1.527 21 residues pruned to eliminate duplicates Z: 21 37.653 2.215 1.176 0.767 0.900 0.700 CB 1.532 21 residues pruned to eliminate duplicates Z: 16 28.309 2.103 0.923 0.868 0.933 0.733 CB 1.415 16 residues pruned to eliminate duplicates Z: 36 40.316 2.214 1.001 0.620 0.914 0.629 CB 1.502 38 residues pruned to eliminate duplicates Z: 17 34.091 2.291 0.988 0.803 0.938 0.812 CB 1.532 17 residues pruned to eliminate duplicates Z: 36 41.616 2.230 1.042 0.625 0.886 0.743 CB 1.551 36 residues pruned to eliminate duplicates Z: 22 33.264 2.116 1.122 0.745 0.857 0.619 CB 1.514 22 residues pruned to eliminate duplicates Z: 25 17.278 1.962 0.689 0.387 0.833 0.500 CB 1.440 25 residues pruned to eliminate duplicates Z: 11 8.285 1.719 0.994 0.287 0.700 0.500 C 1.388 11 residues pruned to eliminate duplicates Z: 21 23.443 2.095 0.844 0.520 0.850 0.600 CB 1.565 21 residues pruned to eliminate duplicates Z: 18 22.919 2.282 0.689 0.464 0.941 0.647 CB 1.591 18 residues pruned to eliminate duplicates Z: 20 21.496 2.115 0.772 0.526 0.895 0.579 CB 1.433 20 residues pruned to eliminate duplicates Z: 17 21.842 2.191 0.749 0.524 0.875 0.625 CB 1.590 17 residues pruned to eliminate duplicates Z: 17 22.546 2.195 0.664 0.568 0.938 0.688 CB 1.542 17 residues pruned to eliminate duplicates Z: 15 21.581 2.340 0.718 0.568 0.857 0.714 CB 1.567 15 residues pruned to eliminate duplicates Z: 17 21.928 2.325 0.653 0.568 0.875 0.688 CB 1.526 17 residues pruned to eliminate duplicates Z: 18 24.237 2.306 0.616 0.586 0.941 0.647 CB 1.543 18 residues pruned to eliminate duplicates Z: 16 27.025 2.328 0.777 0.631 0.933 0.667 CB 1.598 16 residues pruned to eliminate duplicates Z: 19 21.543 2.194 0.719 0.455 0.889 0.611 CB 1.585 19 residues pruned to eliminate duplicates Z: 9 19.739 2.174 0.973 0.574 0.875 0.875 CB 1.731 9 residues pruned to eliminate duplicates Z: 10 13.773 2.129 0.714 0.463 0.778 0.778 CB 1.680 10 residues pruned to eliminate duplicates Z: 8 22.948 2.290 1.004 0.614 1.000 0.714 CB 1.697 8 residues pruned to eliminate duplicates Z: 58 46.971 2.299 0.840 0.469 0.947 0.596 CB 1.602 58 residues pruned to eliminate duplicates Z: 8 7.071 1.943 0.187 0.443 1.000 0.571 CB 1.230 8 residues pruned to eliminate duplicates Z: 7 15.259 2.130 0.601 0.591 1.000 0.667 CA 1.675 7 residues pruned to eliminate duplicates Z: 26 54.293 2.374 0.806 0.890 1.000 0.720 CB 1.822 26 residues pruned to eliminate duplicates Z: 60 75.237 2.539 0.813 0.700 0.949 0.729 CB 1.869 60 residues pruned to eliminate duplicates Z: 59 93.011 2.583 1.031 0.727 0.966 0.724 CB 1.964 59 residues pruned to eliminate duplicates Z: 74 82.343 2.533 0.883 0.643 0.945 0.740 CB 1.870 74 residues pruned to eliminate duplicates Z: 61 86.088 2.534 0.932 0.728 0.967 0.717 CB 1.912 61 residues pruned to eliminate duplicates Z: 73 82.930 2.515 0.957 0.630 0.931 0.653 CB 1.888 73 residues pruned to eliminate duplicates Z: 75 81.152 2.493 0.853 0.634 0.959 0.716 CB 1.878 75 residues pruned to eliminate duplicates Z: 26 61.334 2.492 1.010 0.890 0.920 0.800 CB 1.914 26 residues pruned to eliminate duplicates Z: 74 85.203 2.541 0.904 0.650 0.959 0.699 CB 1.870 80 residues pruned to eliminate duplicates Z: 24 63.632 2.472 0.989 0.934 1.000 0.826 CB 1.882 24 residues pruned to eliminate duplicates Z: 59 87.280 2.594 0.914 0.743 0.966 0.724 CB 1.924 59 residues pruned to eliminate duplicates Z: 74 80.986 2.513 0.878 0.636 0.945 0.699 CB 1.871 74 residues pruned to eliminate duplicates Z: 54 54.891 2.454 0.817 0.511 0.925 0.585 CB 1.809 54 residues pruned to eliminate duplicates Z: 60 90.636 2.561 1.003 0.719 0.983 0.729 CB 1.920 60 residues pruned to eliminate duplicates Z: 74 86.012 2.521 0.931 0.651 0.959 0.658 CB 1.874 74 residues pruned to eliminate duplicates Z: 75 81.732 2.497 0.912 0.636 0.959 0.743 CB 1.826 75 residues pruned to eliminate duplicates Z: 74 90.462 2.532 0.945 0.668 0.986 0.699 CB 1.867 74 residues pruned to eliminate duplicates Z: 60 86.714 2.553 0.966 0.726 0.966 0.712 CB 1.899 60 residues pruned to eliminate duplicates Z: 13 31.439 2.409 0.729 0.795 1.000 0.833 CB 1.682 13 residues pruned to eliminate duplicates Z: 52 56.919 2.518 0.759 0.509 0.961 0.667 CB 1.856 52 residues pruned to eliminate duplicates Z: 51 51.475 2.506 0.750 0.518 0.880 0.640 CB 1.854 51 residues pruned to eliminate duplicates Z: 63 79.919 2.499 0.929 0.711 0.952 0.726 CB 1.827 63 residues pruned to eliminate duplicates Z: 12 34.209 2.546 0.692 0.849 1.000 1.000 CB 1.774 12 residues pruned to eliminate duplicates Z: 52 61.055 2.524 0.827 0.532 0.961 0.745 CB 1.870 52 residues pruned to eliminate duplicates Z: 69 80.364 2.528 0.804 0.677 0.941 0.706 CB 1.927 69 residues pruned to eliminate duplicates Z: 53 52.602 2.470 0.782 0.488 0.923 0.635 CB 1.816 53 residues pruned to eliminate duplicates Z: 74 86.436 2.533 0.956 0.646 0.945 0.671 CB 1.885 74 residues pruned to eliminate duplicates Z: 52 57.349 2.518 0.789 0.508 0.941 0.686 CB 1.878 52 residues pruned to eliminate duplicates Z: 74 88.273 2.547 0.958 0.645 0.959 0.685 CB 1.888 74 residues pruned to eliminate duplicates Z: 6 6.216 1.924 0.483 0.382 1.000 0.400 CA 1.104 6 residues pruned to eliminate duplicates Z: 75 82.098 2.501 0.886 0.654 0.959 0.730 CB 1.828 75 residues pruned to eliminate duplicates Z: 76 75.466 2.469 0.852 0.639 0.947 0.653 CB 1.767 76 residues pruned to eliminate duplicates Z: 74 81.780 2.485 0.950 0.646 0.945 0.671 CB 1.823 74 residues pruned to eliminate duplicates Z: 75 82.251 2.521 0.863 0.653 0.946 0.743 CB 1.866 75 residues pruned to eliminate duplicates Z: 74 90.223 2.557 0.916 0.672 0.973 0.781 CB 1.890 74 residues pruned to eliminate duplicates Z: 75 75.381 2.472 0.838 0.639 0.946 0.770 CB 1.791 75 residues pruned to eliminate duplicates Z: 51 56.414 2.495 0.833 0.539 0.920 0.680 CB 1.825 51 residues pruned to eliminate duplicates Z: 75 88.791 2.503 1.004 0.656 0.959 0.689 CB 1.855 75 residues pruned to eliminate duplicates Z: 6 6.341 2.248 0.311 0.415 0.600 0.200 CB 1.754 6 residues pruned to eliminate duplicates Z: 61 76.642 2.450 0.934 0.699 0.967 0.750 CB 1.802 61 residues pruned to eliminate duplicates Z: 62 70.230 2.354 0.933 0.698 0.934 0.672 CB 1.765 62 residues pruned to eliminate duplicates Z: 40 48.822 2.408 0.862 0.578 0.897 0.590 CB 1.803 40 residues pruned to eliminate duplicates Z: 66 73.380 2.394 0.924 0.673 0.938 0.646 CB 1.795 66 residues pruned to eliminate duplicates Z: 60 80.474 2.480 0.907 0.716 0.983 0.712 CB 1.853 60 residues pruned to eliminate duplicates Z: 61 74.963 2.435 0.874 0.713 0.950 0.700 CB 1.841 61 residues pruned to eliminate duplicates Z: 66 73.050 2.399 0.907 0.680 0.938 0.769 CB 1.788 66 residues pruned to eliminate duplicates Z: 86 72.140 2.483 0.786 0.551 0.929 0.729 CB 1.807 86 residues pruned to eliminate duplicates Z: 64 68.207 2.370 0.896 0.701 0.921 0.746 CB 1.729 64 residues pruned to eliminate duplicates Z: 62 76.709 2.410 0.944 0.710 0.967 0.820 CB 1.791 62 residues pruned to eliminate duplicates Z: 55 54.504 2.391 0.830 0.556 0.907 0.611 CB 1.769 55 residues pruned to eliminate duplicates Z: 35 50.179 2.483 0.856 0.604 0.882 0.765 CB 1.917 35 residues pruned to eliminate duplicates Z: 43 53.508 2.426 0.855 0.568 0.905 0.667 CB 1.898 43 residues pruned to eliminate duplicates Z: 76 78.581 2.406 0.947 0.646 0.947 0.720 CB 1.784 76 residues pruned to eliminate duplicates Z: 61 82.264 2.453 0.985 0.713 0.983 0.733 CB 1.828 61 residues pruned to eliminate duplicates Z: 44 50.405 2.384 0.883 0.552 0.907 0.651 CB 1.796 44 residues pruned to eliminate duplicates Z: 40 56.617 2.457 0.875 0.626 0.974 0.692 CB 1.793 40 residues pruned to eliminate duplicates Z: 63 75.538 2.388 1.010 0.697 0.968 0.726 CB 1.726 63 residues pruned to eliminate duplicates Z: 39 51.009 2.437 0.874 0.611 0.947 0.684 CB 1.721 39 residues pruned to eliminate duplicates Z: 54 51.084 2.369 0.920 0.508 0.906 0.660 CB 1.690 54 residues pruned to eliminate duplicates Z: 64 67.295 2.358 0.924 0.635 0.921 0.667 CB 1.788 64 residues pruned to eliminate duplicates Z: 42 52.415 2.438 0.985 0.548 0.878 0.707 CB 1.838 42 residues pruned to eliminate duplicates Z: 78 77.245 2.382 0.961 0.634 0.935 0.727 CB 1.777 78 residues pruned to eliminate duplicates Z: 62 72.749 2.422 0.924 0.701 0.951 0.803 CB 1.751 62 residues pruned to eliminate duplicates Z: 66 80.447 2.398 1.044 0.674 0.954 0.800 CB 1.818 66 residues pruned to eliminate duplicates Z: 29 40.799 2.404 0.682 0.600 0.893 0.643 CB 1.941 29 residues pruned to eliminate duplicates Z: 61 75.008 2.435 0.925 0.719 0.950 0.750 CB 1.783 61 residues pruned to eliminate duplicates Z: 65 74.866 2.422 0.931 0.686 0.922 0.750 CB 1.830 65 residues pruned to eliminate duplicates Z: 61 78.325 2.425 0.976 0.719 0.950 0.700 CB 1.823 61 residues pruned to eliminate duplicates Z: 57 75.350 2.419 0.985 0.728 0.964 0.732 CB 1.771 57 residues pruned to eliminate duplicates Z: 36 47.731 2.474 0.765 0.597 0.886 0.743 CB 1.901 36 residues pruned to eliminate duplicates Z: 85 67.670 2.449 0.688 0.577 0.893 0.655 CB 1.858 85 residues pruned to eliminate duplicates Z: 104 92.385 2.479 0.795 0.662 0.942 0.718 CB 1.869 104 residues pruned to eliminate duplicates Z: 72 66.753 2.458 0.822 0.550 0.887 0.592 CB 1.899 72 residues pruned to eliminate duplicates Z: 65 55.878 2.473 0.743 0.510 0.875 0.531 CB 1.834 66 residues pruned to eliminate duplicates Z: 23 56.969 2.498 0.961 0.922 1.000 0.773 CB 1.743 23 residues pruned to eliminate duplicates Z: 59 88.290 2.585 0.922 0.730 0.983 0.741 CB 1.930 59 residues pruned to eliminate duplicates Z: 73 83.932 2.556 0.837 0.657 0.972 0.764 CB 1.872 73 residues pruned to eliminate duplicates Z: 40 69.599 2.582 0.903 0.768 0.949 0.821 CB 1.886 40 residues pruned to eliminate duplicates Z: 73 82.535 2.537 0.869 0.657 0.958 0.708 CB 1.850 73 residues pruned to eliminate duplicates Z: 74 84.671 2.538 0.861 0.656 0.973 0.644 CB 1.865 74 residues pruned to eliminate duplicates Z: 73 88.385 2.545 0.888 0.676 0.972 0.694 CB 1.897 73 residues pruned to eliminate duplicates Z: 53 55.840 2.472 0.781 0.540 0.923 0.692 CB 1.833 53 residues pruned to eliminate duplicates Z: 61 81.681 2.532 0.885 0.711 0.950 0.750 CB 1.920 61 residues pruned to eliminate duplicates Z: 55 87.513 2.563 0.986 0.764 0.981 0.685 CB 1.886 55 residues pruned to eliminate duplicates Z: 74 87.885 2.543 0.908 0.656 0.973 0.726 CB 1.886 74 residues pruned to eliminate duplicates Z: 56 83.882 2.562 0.979 0.739 0.945 0.745 CB 1.904 56 residues pruned to eliminate duplicates Z: 61 84.934 2.550 0.920 0.726 0.967 0.700 CB 1.890 61 residues pruned to eliminate duplicates Z: 60 83.543 2.493 1.134 0.714 0.949 0.678 CB 1.775 60 residues pruned to eliminate duplicates Z: 74 86.116 2.518 0.961 0.651 0.945 0.726 CB 1.876 74 residues pruned to eliminate duplicates Z: 51 63.456 2.551 0.877 0.546 0.920 0.700 CB 1.949 50 residues pruned to eliminate duplicates Z: 14 20.494 2.078 0.476 0.593 1.000 0.538 CA 1.696 14 residues pruned to eliminate duplicates Z: 58 82.439 2.548 0.918 0.730 0.947 0.754 CB 1.919 58 residues pruned to eliminate duplicates Z: 73 80.252 2.520 0.922 0.643 0.917 0.667 CB 1.864 73 residues pruned to eliminate duplicates Z: 65 70.477 2.428 0.802 0.687 0.922 0.734 CB 1.840 65 residues pruned to eliminate duplicates Z: 61 71.475 2.445 0.767 0.720 0.950 0.767 CB 1.842 61 residues pruned to eliminate duplicates Z: 61 71.710 2.449 0.823 0.688 0.933 0.717 CB 1.870 61 residues pruned to eliminate duplicates Z: 63 69.332 2.387 0.865 0.681 0.919 0.726 CB 1.822 63 residues pruned to eliminate duplicates Z: 65 64.591 2.376 0.771 0.677 0.922 0.656 CB 1.768 65 residues pruned to eliminate duplicates Z: 62 65.235 2.397 0.678 0.668 0.984 0.803 CB 1.808 62 residues pruned to eliminate duplicates Z: 66 65.596 2.394 0.726 0.674 0.938 0.785 CB 1.787 66 residues pruned to eliminate duplicates Z: 62 71.593 2.401 0.837 0.708 0.967 0.803 CB 1.779 62 residues pruned to eliminate duplicates Z: 66 73.871 2.387 0.934 0.689 0.923 0.785 CB 1.807 66 residues pruned to eliminate duplicates Z: 13 24.965 2.160 0.885 0.674 0.917 0.750 CB 1.644 Z: 7 6.327 1.743 0.729 0.383 0.833 0.333 CA 1.164 Z: 6 12.104 2.181 1.043 0.309 1.000 0.600 CA 1.501 7 residues pruned to eliminate duplicates Z: 6 8.559 1.821 0.898 0.423 1.000 0.800 CA 1.200 4 residues pruned to eliminate duplicates 197 residues left after pruning, divided into chains as follows: A: 36 B: 37 C: 13 D: 90 E: 13 F: 8 CC for partial structure against native data = 30.04 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.490, Connect. = 0.731 for dens.mod. cycle 1 = 0.300, Contrast = 0.565, Connect. = 0.762 for dens.mod. cycle 2 = 0.300, Contrast = 0.680, Connect. = 0.797 for dens.mod. cycle 3 = 0.300, Contrast = 0.696, Connect. = 0.802 for dens.mod. cycle 4 = 0.300, Contrast = 0.712, Connect. = 0.806 for dens.mod. cycle 5 = 0.300, Contrast = 0.721, Connect. = 0.809 for dens.mod. cycle 6 = 0.300, Contrast = 0.729, Connect. = 0.811 for dens.mod. cycle 7 = 0.300, Contrast = 0.734, Connect. = 0.813 for dens.mod. cycle 8 = 0.300, Contrast = 0.739, Connect. = 0.814 for dens.mod. cycle 9 = 0.300, Contrast = 0.741, Connect. = 0.815 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1649 peaks > 0.5 sigma used to seed fragment search Space for about 333 unique residues taking solvent into account 326 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 31.581 2.313 0.787 0.840 1.000 0.846 CB 1.581 B: 13 27.288 2.332 0.895 0.815 0.833 0.833 CB 1.626 C: 12 33.548 2.463 0.758 0.862 1.000 0.909 CB 1.715 12 residues pruned to eliminate duplicates D: 14 30.594 2.309 0.696 0.844 1.000 0.923 CB 1.612 14 residues pruned to eliminate duplicates E: 12 36.363 2.556 0.909 0.882 1.000 0.909 CB 1.626 13 residues pruned to eliminate duplicates F: 16 27.994 2.364 0.728 0.625 0.933 0.533 CB 1.685 G: 77 69.900 2.337 0.868 0.618 0.974 0.803 CB 1.687 13 residues pruned to eliminate duplicates H: 24 62.722 2.493 1.042 0.943 1.000 0.913 CB 1.780 I: 25 58.377 2.400 0.857 0.943 1.000 0.917 CB 1.852 25 residues pruned to eliminate duplicates J: 40 42.090 2.353 0.716 0.593 0.872 0.615 CB 1.752 40 residues pruned to eliminate duplicates K: 10 20.269 2.195 0.773 0.577 1.000 0.889 CB 1.612 L: 73 83.013 2.556 0.879 0.653 0.944 0.667 CB 1.871 37 residues pruned to eliminate duplicates M: 72 63.609 2.346 0.845 0.613 0.901 0.662 CB 1.740 72 residues pruned to eliminate duplicates N: 24 59.469 2.391 0.968 0.946 0.957 0.957 CB 1.905 24 residues pruned to eliminate duplicates O: 24 57.121 2.487 0.915 0.929 0.957 0.826 CB 1.830 24 residues pruned to eliminate duplicates P: 24 62.724 2.489 1.111 0.940 0.957 0.870 CB 1.807 24 residues pruned to eliminate duplicates Q: 25 55.506 2.385 0.919 0.933 1.000 0.833 CB 1.728 25 residues pruned to eliminate duplicates R: 12 28.227 2.478 0.665 0.834 0.909 0.909 CB 1.701 12 residues pruned to eliminate duplicates S: 14 23.984 2.276 0.867 0.580 0.923 0.615 CB 1.570 14 residues pruned to eliminate duplicates T: 25 45.034 2.459 0.566 0.910 0.958 0.875 CB 1.767 25 residues pruned to eliminate duplicates U: 24 45.003 2.261 0.762 0.936 1.000 0.957 CA 1.640 26 residues pruned to eliminate duplicates V: 10 9.770 1.805 0.078 0.780 1.000 0.889 C 1.307 10 residues pruned to eliminate duplicates W: 17 25.546 2.094 0.519 0.857 1.000 0.812 CB 1.479 X: 37 49.090 2.548 0.627 0.591 0.972 0.778 CB 1.860 37 residues pruned to eliminate duplicates Y: 15 27.564 2.224 0.435 0.906 1.000 0.786 CB 1.641 Z: 24 56.870 2.476 0.868 0.935 1.000 0.957 CB 1.786 24 residues pruned to eliminate duplicates Z: 13 34.218 2.349 0.731 0.905 1.000 1.000 CB 1.729 13 residues pruned to eliminate duplicates Z: 25 52.602 2.451 0.679 0.907 1.000 0.833 CB 1.854 25 residues pruned to eliminate duplicates Z: 24 59.234 2.472 0.899 0.922 1.000 0.913 CB 1.851 24 residues pruned to eliminate duplicates Z: 26 55.898 2.417 0.932 0.865 1.000 0.760 CB 1.754 26 residues pruned to eliminate duplicates Z: 24 43.877 2.260 0.678 0.936 1.000 0.870 CA 1.680 24 residues pruned to eliminate duplicates Z: 24 57.095 2.475 0.815 0.942 1.000 0.913 CB 1.838 24 residues pruned to eliminate duplicates Z: 24 43.190 2.211 0.780 0.946 0.957 0.913 CA 1.654 24 residues pruned to eliminate duplicates Z: 16 23.602 2.170 0.319 0.904 0.933 0.733 CB 1.625 16 residues pruned to eliminate duplicates Z: 13 30.980 2.415 0.635 0.870 1.000 0.917 CB 1.653 13 residues pruned to eliminate duplicates Z: 13 23.633 2.280 0.764 0.778 0.833 0.750 CB 1.592 13 residues pruned to eliminate duplicates Z: 25 46.766 2.233 0.845 0.903 0.958 0.750 CA 1.723 25 residues pruned to eliminate duplicates Z: 13 32.616 2.449 0.741 0.841 1.000 0.917 CB 1.646 13 residues pruned to eliminate duplicates Z: 10 10.443 1.895 0.926 0.472 0.889 0.667 CB 1.104 10 residues pruned to eliminate duplicates Z: 15 30.769 2.299 0.465 0.906 1.000 0.786 CB 1.736 15 residues pruned to eliminate duplicates Z: 54 44.763 2.308 0.721 0.514 0.887 0.698 CB 1.722 53 residues pruned to eliminate duplicates Z: 23 55.917 2.454 1.042 0.926 0.955 0.909 CB 1.748 23 residues pruned to eliminate duplicates Z: 24 47.949 2.248 0.874 0.926 1.000 0.913 CB 1.665 24 residues pruned to eliminate duplicates Z: 14 31.460 2.301 0.742 0.788 1.000 0.923 CB 1.690 14 residues pruned to eliminate duplicates Z: 20 22.722 2.065 0.906 0.411 0.947 0.684 CB 1.534 17 residues pruned to eliminate duplicates Z: 25 59.494 2.488 0.899 0.903 1.000 0.875 CB 1.832 25 residues pruned to eliminate duplicates Z: 15 32.532 2.267 0.747 0.895 0.929 0.714 CB 1.694 16 residues pruned to eliminate duplicates Z: 10 8.855 1.960 0.292 0.759 0.667 0.333 CB 1.388 10 residues pruned to eliminate duplicates Z: 24 60.590 2.397 1.140 0.913 0.957 0.565 CB 1.823 24 residues pruned to eliminate duplicates Z: 61 81.116 2.547 0.857 0.717 0.967 0.700 CB 1.881 61 residues pruned to eliminate duplicates Z: 42 35.126 2.361 0.432 0.495 0.902 0.561 CB 1.807 42 residues pruned to eliminate duplicates Z: 16 28.949 2.367 0.818 0.606 0.933 0.667 CB 1.682 16 residues pruned to eliminate duplicates Z: 24 57.502 2.402 0.983 0.941 1.000 0.913 CB 1.747 24 residues pruned to eliminate duplicates Z: 36 59.090 2.533 0.986 0.615 0.943 0.600 CB 1.889 36 residues pruned to eliminate duplicates Z: 17 22.705 2.071 0.299 0.894 1.000 0.875 CB 1.514 17 residues pruned to eliminate duplicates Z: 24 49.629 2.259 0.840 0.941 1.000 0.826 CB 1.727 24 residues pruned to eliminate duplicates Z: 17 31.612 2.079 0.599 0.935 1.000 0.750 CB 1.658 17 residues pruned to eliminate duplicates Z: 12 33.430 2.372 0.708 0.932 1.000 0.909 CB 1.737 12 residues pruned to eliminate duplicates Z: 24 54.641 2.281 1.062 0.922 1.000 0.826 CA 1.703 24 residues pruned to eliminate duplicates Z: 12 31.439 2.402 0.930 0.849 0.909 0.818 CB 1.668 12 residues pruned to eliminate duplicates Z: 12 29.492 2.462 0.627 0.919 1.000 0.909 CB 1.565 12 residues pruned to eliminate duplicates Z: 11 22.970 2.198 0.707 0.667 0.900 0.400 CA 1.844 11 residues pruned to eliminate duplicates Z: 24 53.396 2.248 1.044 0.940 1.000 0.826 CA 1.682 24 residues pruned to eliminate duplicates Z: 24 54.692 2.279 1.021 0.931 1.000 0.826 CA 1.730 24 residues pruned to eliminate duplicates Z: 15 30.231 2.195 0.573 0.920 1.000 0.786 CB 1.647 15 residues pruned to eliminate duplicates Z: 56 49.650 2.301 0.777 0.519 0.927 0.618 CB 1.733 56 residues pruned to eliminate duplicates Z: 9 9.880 1.730 0.363 0.692 0.875 0.625 CB 1.420 9 residues pruned to eliminate duplicates Z: 74 76.516 2.514 0.855 0.631 0.945 0.671 CB 1.796 74 residues pruned to eliminate duplicates Z: 23 45.506 2.277 0.912 0.910 1.000 0.727 CB 1.581 23 residues pruned to eliminate duplicates Z: 14 23.516 2.100 0.703 0.872 0.923 0.846 CB 1.439 14 residues pruned to eliminate duplicates Z: 41 69.251 2.504 0.931 0.757 0.950 0.700 CB 1.896 41 residues pruned to eliminate duplicates Z: 16 32.300 2.172 0.745 0.893 0.933 0.667 CB 1.692 16 residues pruned to eliminate duplicates Z: 16 29.741 2.158 0.743 0.930 0.933 0.800 CB 1.530 16 residues pruned to eliminate duplicates Z: 23 40.024 2.264 0.632 0.937 1.000 0.955 CB 1.607 23 residues pruned to eliminate duplicates Z: 16 31.830 2.157 0.666 0.915 1.000 0.800 CB 1.617 15 residues pruned to eliminate duplicates Z: 19 24.889 2.474 0.465 0.558 0.833 0.722 CA 1.836 19 residues pruned to eliminate duplicates Z: 26 51.468 2.413 0.830 0.863 1.000 0.760 CB 1.711 26 residues pruned to eliminate duplicates Z: 17 30.557 2.167 0.749 0.899 1.000 0.688 CB 1.441 17 residues pruned to eliminate duplicates Z: 24 49.697 2.265 0.862 0.935 1.000 0.826 CB 1.712 24 residues pruned to eliminate duplicates Z: 22 42.159 2.356 0.740 0.912 0.952 0.905 CB 1.668 22 residues pruned to eliminate duplicates Z: 24 57.404 2.486 0.943 0.919 0.957 0.870 CB 1.826 24 residues pruned to eliminate duplicates Z: 11 41.211 2.517 0.981 0.932 1.000 0.800 CB 1.825 11 residues pruned to eliminate duplicates Z: 16 22.577 2.142 0.289 0.882 1.000 0.800 CB 1.527 15 residues pruned to eliminate duplicates Z: 8 15.551 2.026 0.286 0.852 1.000 0.857 N 1.669 8 residues pruned to eliminate duplicates Z: 10 15.691 1.918 0.452 0.795 0.889 0.556 CA 1.631 10 residues pruned to eliminate duplicates Z: 11 20.607 2.326 0.549 0.685 0.800 0.500 CB 1.907 11 residues pruned to eliminate duplicates Z: 14 28.168 2.298 0.654 0.817 1.000 0.923 CB 1.561 14 residues pruned to eliminate duplicates Z: 15 34.097 2.302 0.646 0.931 1.000 0.857 CB 1.680 15 residues pruned to eliminate duplicates Z: 24 50.784 2.441 0.756 0.916 1.000 0.783 CB 1.744 24 residues pruned to eliminate duplicates Z: 12 33.325 2.548 0.807 0.864 1.000 1.000 CB 1.600 12 residues pruned to eliminate duplicates Z: 16 19.133 2.314 0.639 0.593 0.800 0.467 CB 1.491 8 residues pruned to eliminate duplicates Z: 24 39.795 2.247 0.603 0.913 1.000 0.870 CA 1.631 24 residues pruned to eliminate duplicates Z: 40 49.746 2.467 0.760 0.576 0.897 0.641 CB 1.900 40 residues pruned to eliminate duplicates Z: 8 11.212 1.965 0.766 0.373 1.000 0.571 CA 1.399 8 residues pruned to eliminate duplicates Z: 13 18.696 2.231 0.469 0.781 0.833 0.750 CB 1.542 13 residues pruned to eliminate duplicates Z: 11 22.526 2.279 0.256 0.909 1.000 0.700 CB 1.766 11 residues pruned to eliminate duplicates Z: 41 49.220 2.374 0.793 0.580 0.950 0.700 CB 1.783 41 residues pruned to eliminate duplicates Z: 75 84.052 2.509 0.954 0.645 0.932 0.608 CB 1.866 76 residues pruned to eliminate duplicates Z: 25 50.877 2.441 0.629 0.931 1.000 0.917 CB 1.824 25 residues pruned to eliminate duplicates Z: 24 58.495 2.476 0.869 0.940 1.000 0.957 CB 1.831 24 residues pruned to eliminate duplicates Z: 16 17.908 2.206 0.381 0.534 0.933 0.600 CB 1.572 16 residues pruned to eliminate duplicates Z: 18 19.319 2.065 0.638 0.558 0.882 0.588 CB 1.485 17 residues pruned to eliminate duplicates Z: 38 46.361 2.445 0.654 0.594 0.946 0.676 CB 1.820 38 residues pruned to eliminate duplicates Z: 23 45.206 2.263 0.879 0.928 0.955 0.909 CB 1.662 23 residues pruned to eliminate duplicates Z: 17 23.573 2.076 0.458 0.881 1.000 0.812 CB 1.410 17 residues pruned to eliminate duplicates Z: 59 85.707 2.572 0.945 0.749 0.966 0.672 CB 1.865 59 residues pruned to eliminate duplicates Z: 17 24.726 2.158 0.481 0.916 0.938 0.750 CB 1.457 17 residues pruned to eliminate duplicates Z: 16 27.718 2.161 0.591 0.901 1.000 0.800 CB 1.486 16 residues pruned to eliminate duplicates Z: 9 18.533 1.852 0.805 0.810 1.000 0.625 CB 1.496 9 residues pruned to eliminate duplicates Z: 27 28.788 2.099 0.693 0.624 0.923 0.615 CB 1.532 16 residues pruned to eliminate duplicates Z: 11 30.003 2.525 0.517 0.874 1.000 0.800 CB 1.803 11 residues pruned to eliminate duplicates Z: 24 52.447 2.241 0.955 0.951 1.000 0.870 CB 1.721 24 residues pruned to eliminate duplicates Z: 12 16.370 1.767 0.639 0.796 0.909 0.364 CB 1.446 12 residues pruned to eliminate duplicates Z: 11 7.628 1.709 0.604 0.749 0.700 0.400 CB 1.007 11 residues pruned to eliminate duplicates Z: 52 56.972 2.509 0.824 0.509 0.922 0.667 CB 1.876 53 residues pruned to eliminate duplicates Z: 16 26.904 2.123 0.560 0.918 1.000 0.867 CB 1.479 16 residues pruned to eliminate duplicates Z: 37 60.265 2.389 0.961 0.765 0.972 0.778 CB 1.743 37 residues pruned to eliminate duplicates Z: 17 21.454 2.255 0.536 0.610 0.938 0.750 CB 1.488 17 residues pruned to eliminate duplicates Z: 38 52.722 2.432 0.825 0.612 0.973 0.811 CB 1.805 38 residues pruned to eliminate duplicates Z: 24 59.501 2.495 1.171 0.923 0.957 0.783 CB 1.683 24 residues pruned to eliminate duplicates Z: 16 34.926 2.176 0.871 0.915 1.000 0.800 CB 1.565 16 residues pruned to eliminate duplicates Z: 19 28.594 2.229 0.772 0.557 0.889 0.556 CB 1.815 19 residues pruned to eliminate duplicates Z: 14 15.982 2.103 0.816 0.368 0.923 0.769 CB 1.449 14 residues pruned to eliminate duplicates Z: 24 45.780 2.304 0.667 0.952 1.000 0.957 CA 1.712 24 residues pruned to eliminate duplicates Z: 17 16.960 2.255 0.691 0.331 0.875 0.688 CB 1.529 17 residues pruned to eliminate duplicates Z: 71 68.832 2.414 0.853 0.645 0.929 0.571 CB 1.729 71 residues pruned to eliminate duplicates Z: 24 40.017 2.235 0.596 0.932 1.000 0.957 CB 1.634 24 residues pruned to eliminate duplicates Z: 25 40.541 2.250 0.623 0.889 0.958 0.875 CA 1.702 25 residues pruned to eliminate duplicates Z: 13 30.472 2.389 0.962 0.839 0.917 0.833 CB 1.529 13 residues pruned to eliminate duplicates Z: 7 8.855 1.876 0.566 0.649 0.833 0.833 CA 1.285 7 residues pruned to eliminate duplicates Z: 16 29.341 2.170 0.738 0.906 0.933 0.733 CB 1.531 16 residues pruned to eliminate duplicates Z: 21 13.468 2.007 0.477 0.370 0.850 0.500 CB 1.374 21 residues pruned to eliminate duplicates Z: 61 72.466 2.491 0.861 0.727 0.917 0.733 CB 1.794 61 residues pruned to eliminate duplicates Z: 37 72.685 2.548 1.016 0.814 0.972 0.806 CB 1.846 37 residues pruned to eliminate duplicates Z: 21 31.413 2.231 0.764 0.691 0.950 0.600 CB 1.578 21 residues pruned to eliminate duplicates Z: 25 52.319 2.254 0.922 0.924 1.000 0.875 CA 1.731 25 residues pruned to eliminate duplicates Z: 8 11.261 2.168 0.945 0.439 0.714 0.714 CB 1.505 8 residues pruned to eliminate duplicates Z: 16 22.145 2.158 0.362 0.884 0.933 0.867 CB 1.506 16 residues pruned to eliminate duplicates Z: 10 8.363 1.737 0.746 0.335 0.778 0.667 CB 1.415 10 residues pruned to eliminate duplicates Z: 11 30.336 2.538 0.472 0.890 1.000 0.900 CB 1.847 11 residues pruned to eliminate duplicates Z: 55 85.450 2.579 0.959 0.766 0.944 0.741 CB 1.924 55 residues pruned to eliminate duplicates Z: 53 58.212 2.483 0.856 0.506 0.942 0.673 CB 1.848 53 residues pruned to eliminate duplicates Z: 12 13.869 2.141 0.311 0.765 0.727 0.455 CA 1.620 12 residues pruned to eliminate duplicates Z: 13 33.393 2.412 0.826 0.868 1.000 1.000 CB 1.600 13 residues pruned to eliminate duplicates Z: 25 53.277 2.291 1.089 0.894 0.958 0.750 CB 1.701 25 residues pruned to eliminate duplicates Z: 26 50.287 2.256 1.056 0.878 0.920 0.840 CB 1.710 26 residues pruned to eliminate duplicates Z: 25 49.799 2.212 0.944 0.932 1.000 0.875 CA 1.651 25 residues pruned to eliminate duplicates Z: 26 58.382 2.442 0.974 0.870 1.000 0.800 CB 1.768 26 residues pruned to eliminate duplicates Z: 17 24.195 2.086 0.393 0.879 1.000 0.875 CB 1.510 17 residues pruned to eliminate duplicates Z: 24 43.855 2.408 0.466 0.926 1.000 0.913 CB 1.816 24 residues pruned to eliminate duplicates Z: 8 18.301 1.925 0.836 0.858 0.857 0.571 CA 1.681 8 residues pruned to eliminate duplicates Z: 23 59.715 2.318 1.222 0.945 1.000 0.818 CB 1.711 24 residues pruned to eliminate duplicates Z: 21 33.532 2.193 0.898 0.795 0.950 0.650 CB 1.464 17 residues pruned to eliminate duplicates Z: 24 44.659 2.178 0.956 0.921 0.913 0.783 CA 1.685 23 residues pruned to eliminate duplicates Z: 25 45.182 2.152 0.860 0.907 1.000 0.792 CA 1.637 25 residues pruned to eliminate duplicates Z: 11 20.930 2.253 0.424 0.804 0.900 0.700 CB 1.758 11 residues pruned to eliminate duplicates Z: 13 19.591 2.265 0.782 0.571 0.833 0.667 CB 1.570 16 residues pruned to eliminate duplicates Z: 23 54.072 2.309 0.991 0.926 1.000 0.864 CB 1.759 23 residues pruned to eliminate duplicates Z: 23 46.774 2.462 0.672 0.887 0.955 0.909 CB 1.831 23 residues pruned to eliminate duplicates Z: 13 13.066 2.039 0.624 0.515 0.833 0.583 CB 1.347 11 residues pruned to eliminate duplicates Z: 21 33.376 2.179 0.888 0.767 0.900 0.750 CB 1.590 21 residues pruned to eliminate duplicates Z: 13 25.813 2.326 0.708 0.840 1.000 0.917 CB 1.400 13 residues pruned to eliminate duplicates Z: 56 63.003 2.378 1.009 0.639 0.891 0.582 CB 1.753 56 residues pruned to eliminate duplicates Z: 6 4.197 1.672 0.198 0.553 0.800 0.400 CB 1.113 6 residues pruned to eliminate duplicates Z: 44 69.761 2.515 1.013 0.761 0.907 0.721 CB 1.838 44 residues pruned to eliminate duplicates Z: 62 67.132 2.376 0.784 0.691 0.951 0.672 CB 1.791 62 residues pruned to eliminate duplicates Z: 9 9.560 2.009 0.422 0.743 0.625 0.375 CB 1.523 9 residues pruned to eliminate duplicates Z: 74 89.849 2.553 0.982 0.655 0.959 0.726 CB 1.876 74 residues pruned to eliminate duplicates Z: 8 14.100 1.934 0.610 0.828 0.857 0.857 CB 1.503 8 residues pruned to eliminate duplicates Z: 7 2.816 1.506 0.321 0.372 1.000 0.500 CB 0.663 7 residues pruned to eliminate duplicates Z: 16 22.781 2.081 0.396 0.842 0.933 0.867 CB 1.616 16 residues pruned to eliminate duplicates Z: 24 43.419 2.251 0.752 0.920 1.000 0.913 CA 1.617 24 residues pruned to eliminate duplicates Z: 19 21.108 2.092 0.764 0.589 0.833 0.611 CB 1.486 19 residues pruned to eliminate duplicates Z: 16 22.060 2.201 0.555 0.571 0.933 0.600 CA 1.665 16 residues pruned to eliminate duplicates Z: 7 11.749 2.168 0.536 0.595 0.833 0.667 CA 1.579 7 residues pruned to eliminate duplicates Z: 25 48.745 2.239 1.010 0.899 0.958 0.750 CB 1.649 25 residues pruned to eliminate duplicates Z: 12 12.823 2.012 0.611 0.485 0.909 0.545 CB 1.332 12 residues pruned to eliminate duplicates Z: 16 23.054 2.310 0.475 0.623 0.933 0.733 CB 1.667 16 residues pruned to eliminate duplicates Z: 43 49.244 2.293 0.724 0.570 0.976 0.738 CB 1.839 43 residues pruned to eliminate duplicates Z: 17 19.141 2.074 0.909 0.446 0.938 0.625 CA 1.363 17 residues pruned to eliminate duplicates Z: 25 55.792 2.395 1.019 0.888 0.958 0.792 CB 1.771 25 residues pruned to eliminate duplicates Z: 16 27.164 2.339 0.783 0.671 0.933 0.800 CB 1.539 18 residues pruned to eliminate duplicates Z: 25 66.422 2.424 1.251 0.940 1.000 0.833 CB 1.726 25 residues pruned to eliminate duplicates Z: 12 25.728 2.259 0.926 0.836 1.000 0.818 CB 1.334 12 residues pruned to eliminate duplicates Z: 37 59.564 2.378 0.997 0.772 0.944 0.778 CB 1.740 37 residues pruned to eliminate duplicates Z: 7 12.558 1.911 0.476 0.786 1.000 0.833 CA 1.413 7 residues pruned to eliminate duplicates Z: 22 45.999 2.381 0.860 0.901 0.952 0.810 CB 1.699 22 residues pruned to eliminate duplicates Z: 24 51.808 2.460 0.698 0.921 1.000 1.000 CB 1.820 24 residues pruned to eliminate duplicates Z: 24 50.713 2.278 0.972 0.929 1.000 0.957 CB 1.647 24 residues pruned to eliminate duplicates Z: 25 58.473 2.386 0.855 0.937 1.000 0.792 CB 1.877 25 residues pruned to eliminate duplicates Z: 7 16.675 2.299 0.835 0.759 0.833 0.833 CB 1.538 7 residues pruned to eliminate duplicates Z: 6 7.776 1.850 0.760 0.622 0.800 0.600 CB 1.190 Z: 17 19.512 2.183 0.656 0.602 0.875 0.625 CB 1.400 17 residues pruned to eliminate duplicates Z: 89 70.875 2.463 0.769 0.600 0.898 0.648 CB 1.756 123 residues pruned to eliminate duplicates Z: 17 24.129 2.076 0.396 0.924 1.000 0.875 CB 1.462 17 residues pruned to eliminate duplicates Z: 14 17.704 2.133 0.536 0.783 0.923 0.615 CB 1.265 14 residues pruned to eliminate duplicates Z: 11 31.153 2.435 0.579 0.914 1.000 0.900 CB 1.812 11 residues pruned to eliminate duplicates Z: 75 79.579 2.511 0.923 0.661 0.932 0.770 CB 1.770 75 residues pruned to eliminate duplicates Z: 35 69.464 2.544 0.981 0.808 1.000 0.794 CB 1.807 35 residues pruned to eliminate duplicates Z: 37 61.905 2.399 0.928 0.755 1.000 0.861 CB 1.777 37 residues pruned to eliminate duplicates Z: 6 3.261 1.542 0.000 0.754 0.800 0.800 C 0.943 6 residues pruned to eliminate duplicates Z: 53 50.241 2.436 0.753 0.536 0.923 0.654 CB 1.706 27 residues pruned to eliminate duplicates Z: 9 3.130 1.565 0.243 0.236 0.750 0.250 N 1.030 9 residues pruned to eliminate duplicates Z: 9 5.932 1.858 0.289 0.525 0.875 0.875 CB 0.976 7 residues pruned to eliminate duplicates Z: 14 13.036 2.020 0.512 0.629 0.846 0.615 CB 1.239 14 residues pruned to eliminate duplicates Z: 18 21.071 2.070 0.695 0.548 0.882 0.706 CB 1.575 18 residues pruned to eliminate duplicates Z: 8 17.282 1.884 0.732 0.901 1.000 0.571 CB 1.429 8 residues pruned to eliminate duplicates Z: 13 10.188 1.730 0.525 0.760 0.667 0.417 CB 1.327 13 residues pruned to eliminate duplicates Z: 16 26.723 2.200 0.813 0.687 0.933 0.667 CB 1.561 16 residues pruned to eliminate duplicates Z: 30 37.579 2.489 0.780 0.518 0.897 0.655 CB 1.726 30 residues pruned to eliminate duplicates Z: 16 25.899 2.024 0.905 0.853 0.933 0.800 CB 1.373 16 residues pruned to eliminate duplicates Z: 19 16.831 2.121 0.690 0.324 0.889 0.611 CB 1.512 19 residues pruned to eliminate duplicates Z: 24 46.146 2.406 0.622 0.935 1.000 0.870 CB 1.718 24 residues pruned to eliminate duplicates Z: 60 73.024 2.499 0.792 0.717 0.932 0.797 CB 1.871 60 residues pruned to eliminate duplicates Z: 13 26.604 2.232 0.757 0.771 1.000 0.667 CB 1.542 13 residues pruned to eliminate duplicates Z: 54 46.218 2.341 0.689 0.516 0.925 0.792 CB 1.710 54 residues pruned to eliminate duplicates Z: 14 23.297 2.208 1.075 0.447 0.923 0.615 CA 1.613 14 residues pruned to eliminate duplicates Z: 21 31.202 2.153 0.918 0.793 0.900 0.800 CB 1.451 21 residues pruned to eliminate duplicates Z: 9 6.601 1.679 0.679 0.473 0.750 0.625 N 1.134 Z: 23 55.143 2.282 1.275 0.952 0.955 0.909 CB 1.634 Z: 21 32.090 2.162 0.924 0.785 0.900 0.650 CB 1.492 21 residues pruned to eliminate duplicates Z: 10 11.179 1.771 0.492 0.851 0.778 0.333 CB 1.342 10 residues pruned to eliminate duplicates Z: 25 23.600 2.114 0.532 0.711 0.875 0.750 CB 1.403 23 residues pruned to eliminate duplicates Z: 18 16.765 1.959 0.963 0.362 0.941 0.765 CA 1.303 Z: 17 18.512 2.091 0.634 0.570 0.875 0.625 CB 1.446 17 residues pruned to eliminate duplicates Z: 10 17.349 1.797 0.789 0.788 0.889 0.556 CA 1.571 10 residues pruned to eliminate duplicates Z: 6 10.001 1.848 1.009 0.620 0.800 0.800 CB 1.345 6 residues pruned to eliminate duplicates Z: 6 6.211 1.814 0.511 0.545 1.000 0.600 CA 0.970 6 residues pruned to eliminate duplicates Z: 19 35.532 2.314 0.853 0.816 0.889 0.778 CB 1.670 26 residues pruned to eliminate duplicates Z: 24 42.047 2.179 0.775 0.918 1.000 0.739 CB 1.598 23 residues pruned to eliminate duplicates Z: 46 35.948 2.237 0.615 0.497 0.911 0.644 CB 1.632 46 residues pruned to eliminate duplicates Z: 16 20.989 2.085 0.135 0.943 1.000 1.000 CA 1.588 16 residues pruned to eliminate duplicates Z: 24 47.294 2.245 0.856 0.914 1.000 0.696 CB 1.674 24 residues pruned to eliminate duplicates Z: 63 47.854 2.345 0.694 0.489 0.919 0.710 CB 1.682 63 residues pruned to eliminate duplicates Z: 8 3.185 1.708 -0.178 0.444 0.857 0.429 CB 1.060 8 residues pruned to eliminate duplicates Z: 11 31.777 2.410 0.804 0.827 1.000 0.800 CA 1.742 Z: 51 74.795 2.573 0.879 0.735 0.940 0.800 CB 1.885 62 residues pruned to eliminate duplicates Z: 25 30.590 2.491 0.479 0.504 0.917 0.667 CB 1.841 25 residues pruned to eliminate duplicates Z: 22 22.248 2.128 0.683 0.498 0.905 0.571 CB 1.502 22 residues pruned to eliminate duplicates Z: 7 10.328 1.803 0.659 0.809 1.000 0.833 CB 1.077 7 residues pruned to eliminate duplicates Z: 9 15.447 1.920 0.425 0.818 1.000 0.875 CA 1.515 Z: 13 25.084 2.225 0.661 0.665 1.000 0.833 CB 1.682 13 residues pruned to eliminate duplicates Z: 7 9.686 2.119 0.458 0.475 0.833 0.667 CA 1.577 7 residues pruned to eliminate duplicates Z: 25 54.050 2.455 0.826 0.940 1.000 0.917 CB 1.709 34 residues pruned to eliminate duplicates Z: 9 23.228 2.296 0.631 0.793 1.000 0.625 CA 1.696 Z: 13 27.491 2.231 0.714 0.833 1.000 0.833 CB 1.557 13 residues pruned to eliminate duplicates Z: 16 36.768 2.138 0.796 0.926 1.000 0.733 CB 1.734 16 residues pruned to eliminate duplicates Z: 61 80.736 2.575 0.909 0.739 0.933 0.733 CB 1.835 47 residues pruned to eliminate duplicates Z: 16 25.471 2.310 0.724 0.559 0.933 0.600 CB 1.671 16 residues pruned to eliminate duplicates Z: 17 22.337 2.227 0.620 0.555 0.938 0.688 CB 1.564 16 residues pruned to eliminate duplicates Z: 61 73.356 2.400 0.877 0.690 0.967 0.767 CB 1.827 61 residues pruned to eliminate duplicates Z: 29 32.787 2.404 0.629 0.523 0.929 0.643 CB 1.666 29 residues pruned to eliminate duplicates Z: 15 28.968 2.267 0.812 0.601 1.000 0.786 CA 1.712 15 residues pruned to eliminate duplicates Z: 104 87.933 2.513 0.827 0.614 0.942 0.680 CB 1.799 75 residues pruned to eliminate duplicates Z: 24 58.099 2.237 1.336 0.944 1.000 0.826 CB 1.605 26 residues pruned to eliminate duplicates Z: 16 8.800 1.880 0.362 0.285 0.867 0.533 CB 1.305 16 residues pruned to eliminate duplicates Z: 9 7.520 1.997 0.510 0.413 0.750 0.750 CB 1.288 9 residues pruned to eliminate duplicates Z: 15 30.887 2.435 0.913 0.604 0.929 0.786 CB 1.729 15 residues pruned to eliminate duplicates Z: 12 24.556 2.263 1.136 0.765 0.909 0.545 CB 1.331 12 residues pruned to eliminate duplicates Z: 15 34.067 2.151 0.809 0.940 1.000 0.786 CB 1.625 15 residues pruned to eliminate duplicates Z: 104 93.386 2.476 0.852 0.664 0.942 0.650 CB 1.832 56 residues pruned to eliminate duplicates Z: 10 13.782 1.882 0.345 0.746 1.000 0.667 CA 1.457 10 residues pruned to eliminate duplicates Z: 30 37.402 2.389 0.803 0.435 0.966 0.552 CB 1.785 30 residues pruned to eliminate duplicates Z: 17 25.143 2.198 0.784 0.605 0.875 0.688 CA 1.657 18 residues pruned to eliminate duplicates Z: 75 73.764 2.400 0.917 0.643 0.932 0.730 CB 1.749 117 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 37 32.463 2.212 0.679 0.590 0.861 0.611 CB 1.553 38 residues pruned to eliminate duplicates Z: 19 29.825 1.993 0.699 0.876 1.000 0.722 CB 1.509 19 residues pruned to eliminate duplicates Z: 16 26.214 2.180 0.669 0.910 0.867 0.667 CB 1.522 16 residues pruned to eliminate duplicates Z: 21 35.125 2.258 0.897 0.725 0.950 0.750 CB 1.575 21 residues pruned to eliminate duplicates Z: 20 36.997 2.259 0.928 0.761 0.947 0.684 CB 1.631 20 residues pruned to eliminate duplicates Z: 16 29.024 2.123 0.800 0.893 0.933 0.667 CB 1.508 16 residues pruned to eliminate duplicates Z: 21 38.616 2.258 1.082 0.727 0.950 0.600 CB 1.576 21 residues pruned to eliminate duplicates Z: 21 37.058 2.242 1.068 0.729 0.950 0.600 CB 1.531 21 residues pruned to eliminate duplicates Z: 15 40.086 2.301 0.961 0.923 1.000 0.643 CB 1.668 15 residues pruned to eliminate duplicates Z: 21 35.536 2.271 0.953 0.734 0.950 0.700 CB 1.528 21 residues pruned to eliminate duplicates Z: 21 35.987 2.249 0.972 0.738 0.950 0.750 CB 1.542 21 residues pruned to eliminate duplicates Z: 22 34.580 2.171 1.136 0.726 0.905 0.714 CB 1.466 22 residues pruned to eliminate duplicates Z: 17 31.187 2.066 0.952 0.871 1.000 0.688 CB 1.410 17 residues pruned to eliminate duplicates Z: 22 29.340 2.167 1.032 0.738 0.810 0.524 CB 1.450 22 residues pruned to eliminate duplicates Z: 19 28.165 2.175 0.988 0.724 0.889 0.556 CB 1.412 18 residues pruned to eliminate duplicates Z: 6 4.071 1.781 0.694 0.464 0.800 0.800 CB 0.782 6 residues pruned to eliminate duplicates Z: 21 37.515 2.261 0.999 0.741 0.950 0.650 CB 1.575 22 residues pruned to eliminate duplicates Z: 7 3.394 1.121 0.600 0.486 0.833 0.833 CB 0.941 7 residues pruned to eliminate duplicates Z: 37 36.170 2.237 0.832 0.615 0.861 0.611 CB 1.533 37 residues pruned to eliminate duplicates Z: 36 37.017 2.191 0.788 0.618 0.914 0.714 CB 1.563 36 residues pruned to eliminate duplicates Z: 35 37.635 2.281 0.821 0.620 0.882 0.676 CB 1.573 35 residues pruned to eliminate duplicates Z: 17 21.393 2.235 0.603 0.512 0.938 0.625 CB 1.574 17 residues pruned to eliminate duplicates Z: 16 27.470 2.361 0.701 0.634 0.933 0.667 CB 1.668 16 residues pruned to eliminate duplicates Z: 69 61.400 2.348 0.768 0.637 0.912 0.706 CB 1.731 69 residues pruned to eliminate duplicates Z: 16 30.357 2.385 0.794 0.672 0.933 0.733 CB 1.675 16 residues pruned to eliminate duplicates Z: 6 6.398 1.952 0.578 0.335 1.000 0.600 CA 1.112 6 residues pruned to eliminate duplicates Z: 9 19.712 2.226 0.807 0.528 1.000 0.750 CB 1.684 9 residues pruned to eliminate duplicates Z: 17 25.997 2.241 0.787 0.576 0.938 0.625 CB 1.609 17 residues pruned to eliminate duplicates Z: 16 30.205 2.384 0.801 0.641 0.933 0.667 CB 1.705 16 residues pruned to eliminate duplicates Z: 15 27.843 2.236 0.471 0.866 1.000 0.786 CB 1.657 15 residues pruned to eliminate duplicates Z: 20 32.072 2.286 0.875 0.669 0.895 0.632 CB 1.641 20 residues pruned to eliminate duplicates Z: 23 27.804 2.179 0.809 0.634 0.818 0.636 CB 1.621 23 residues pruned to eliminate duplicates Z: 20 38.974 2.323 0.888 0.763 0.947 0.579 CB 1.704 19 residues pruned to eliminate duplicates Z: 14 34.456 2.295 0.865 0.904 1.000 0.846 CB 1.590 14 residues pruned to eliminate duplicates Z: 21 31.312 2.272 0.814 0.678 0.900 0.700 CB 1.603 21 residues pruned to eliminate duplicates Z: 16 28.533 2.159 0.738 0.846 0.933 0.667 CB 1.563 16 residues pruned to eliminate duplicates Z: 16 31.270 2.185 0.819 0.899 0.933 0.800 CB 1.556 16 residues pruned to eliminate duplicates Z: 20 36.135 2.292 0.982 0.737 0.895 0.684 CB 1.649 20 residues pruned to eliminate duplicates Z: 15 29.773 2.275 0.674 0.780 0.929 0.643 CA 1.758 15 residues pruned to eliminate duplicates Z: 17 23.483 2.128 0.572 0.764 0.938 0.750 CB 1.480 17 residues pruned to eliminate duplicates Z: 20 33.326 2.274 0.778 0.716 0.947 0.632 CB 1.641 20 residues pruned to eliminate duplicates Z: 22 30.505 2.182 0.705 0.675 0.952 0.714 CB 1.600 22 residues pruned to eliminate duplicates Z: 22 30.076 2.185 0.692 0.673 0.952 0.714 CB 1.590 22 residues pruned to eliminate duplicates Z: 29 28.378 2.185 0.656 0.600 0.821 0.607 CB 1.640 29 residues pruned to eliminate duplicates Z: 6 5.198 1.491 1.084 0.279 1.000 0.400 CA 0.961 6 residues pruned to eliminate duplicates Z: 22 30.382 2.178 0.762 0.667 0.952 0.667 CB 1.554 22 residues pruned to eliminate duplicates Z: 20 32.234 2.001 0.963 0.570 1.000 0.632 CA 1.759 20 residues pruned to eliminate duplicates Z: 22 29.896 2.199 0.595 0.685 0.952 0.762 CB 1.647 22 residues pruned to eliminate duplicates Z: 39 34.027 2.191 0.624 0.585 0.895 0.658 CB 1.598 39 residues pruned to eliminate duplicates Z: 37 39.985 2.280 0.840 0.610 0.861 0.639 CB 1.661 38 residues pruned to eliminate duplicates Z: 6 3.379 1.404 0.451 0.347 0.800 0.200 C 1.094 6 residues pruned to eliminate duplicates Z: 17 22.920 2.250 0.526 0.605 0.938 0.625 CB 1.611 17 residues pruned to eliminate duplicates Z: 18 18.851 2.174 0.716 0.495 0.882 0.471 CB 1.396 18 residues pruned to eliminate duplicates Z: 19 20.584 2.168 0.683 0.557 0.889 0.722 CB 1.414 19 residues pruned to eliminate duplicates Z: 18 20.699 2.220 0.668 0.544 0.882 0.647 CB 1.471 18 residues pruned to eliminate duplicates Z: 91 81.961 2.470 0.913 0.622 0.922 0.733 CB 1.767 90 residues pruned to eliminate duplicates Z: 6 8.052 1.866 1.022 0.297 1.000 0.400 CA 1.198 6 residues pruned to eliminate duplicates Z: 12 16.786 2.027 0.999 0.514 0.909 0.909 CB 1.356 12 residues pruned to eliminate duplicates Z: 18 26.634 2.264 0.722 0.580 1.000 0.765 CB 1.534 18 residues pruned to eliminate duplicates Z: 18 21.995 2.280 0.608 0.565 0.941 0.588 CB 1.452 18 residues pruned to eliminate duplicates Z: 17 23.661 2.308 0.693 0.594 0.938 0.562 CB 1.476 17 residues pruned to eliminate duplicates Z: 19 16.020 2.118 0.523 0.530 0.889 0.556 CB 1.278 19 residues pruned to eliminate duplicates Z: 73 83.725 2.521 0.928 0.629 0.958 0.681 CB 1.876 60 residues pruned to eliminate duplicates Z: 25 60.755 2.417 0.969 0.931 1.000 0.875 CB 1.822 25 residues pruned to eliminate duplicates Z: 60 87.609 2.580 0.981 0.722 0.966 0.780 CB 1.890 60 residues pruned to eliminate duplicates Z: 73 84.711 2.561 0.906 0.638 0.958 0.681 CB 1.875 72 residues pruned to eliminate duplicates Z: 25 69.724 2.467 1.210 0.927 1.000 0.750 CB 1.829 25 residues pruned to eliminate duplicates Z: 41 66.856 2.543 0.882 0.768 0.925 0.775 CB 1.883 41 residues pruned to eliminate duplicates Z: 74 86.598 2.544 0.904 0.656 0.959 0.712 CB 1.887 74 residues pruned to eliminate duplicates Z: 24 60.198 2.496 1.005 0.932 0.957 0.696 CB 1.832 24 residues pruned to eliminate duplicates Z: 72 86.295 2.548 0.994 0.631 0.944 0.662 CB 1.889 72 residues pruned to eliminate duplicates Z: 58 78.152 2.535 0.924 0.727 0.947 0.702 CB 1.827 58 residues pruned to eliminate duplicates Z: 75 75.108 2.489 0.847 0.639 0.905 0.676 CB 1.841 75 residues pruned to eliminate duplicates Z: 74 88.002 2.533 0.993 0.635 0.959 0.699 CB 1.875 74 residues pruned to eliminate duplicates Z: 73 75.349 2.431 0.961 0.607 0.958 0.639 CB 1.755 73 residues pruned to eliminate duplicates Z: 59 79.779 2.580 0.881 0.695 0.948 0.672 CB 1.906 59 residues pruned to eliminate duplicates Z: 74 83.521 2.551 0.851 0.645 0.973 0.685 CB 1.859 74 residues pruned to eliminate duplicates Z: 74 85.016 2.534 0.971 0.634 0.945 0.726 CB 1.860 74 residues pruned to eliminate duplicates Z: 60 80.257 2.564 0.850 0.727 0.983 0.627 CB 1.825 60 residues pruned to eliminate duplicates Z: 23 34.716 2.518 0.674 0.589 0.864 0.727 CB 1.867 23 residues pruned to eliminate duplicates Z: 73 86.925 2.556 0.889 0.660 0.972 0.778 CB 1.881 73 residues pruned to eliminate duplicates Z: 74 80.920 2.521 0.841 0.665 0.959 0.685 CB 1.828 74 residues pruned to eliminate duplicates Z: 75 85.458 2.520 0.927 0.651 0.959 0.743 CB 1.853 75 residues pruned to eliminate duplicates Z: 74 86.550 2.535 1.006 0.649 0.932 0.753 CB 1.861 74 residues pruned to eliminate duplicates Z: 60 89.435 2.577 0.963 0.748 0.983 0.780 CB 1.876 60 residues pruned to eliminate duplicates Z: 74 83.479 2.550 0.857 0.635 0.959 0.712 CB 1.895 74 residues pruned to eliminate duplicates Z: 68 81.516 2.561 0.894 0.686 0.925 0.716 CB 1.872 68 residues pruned to eliminate duplicates Z: 75 82.600 2.516 0.846 0.642 0.973 0.743 CB 1.861 75 residues pruned to eliminate duplicates Z: 54 55.120 2.464 0.745 0.521 0.925 0.736 CB 1.865 54 residues pruned to eliminate duplicates Z: 75 79.599 2.516 0.888 0.632 0.946 0.676 CB 1.819 75 residues pruned to eliminate duplicates Z: 72 86.063 2.531 0.973 0.675 0.944 0.761 CB 1.844 72 residues pruned to eliminate duplicates Z: 73 83.695 2.561 0.930 0.648 0.917 0.667 CB 1.896 73 residues pruned to eliminate duplicates Z: 73 82.427 2.549 0.934 0.655 0.931 0.639 CB 1.833 73 residues pruned to eliminate duplicates Z: 73 69.983 2.454 0.874 0.586 0.917 0.625 CB 1.801 73 residues pruned to eliminate duplicates Z: 21 17.212 2.096 0.655 0.402 0.850 0.500 CB 1.448 21 residues pruned to eliminate duplicates Z: 25 24.353 2.234 0.788 0.347 0.917 0.500 CB 1.604 25 residues pruned to eliminate duplicates Z: 74 80.597 2.498 0.919 0.647 0.932 0.671 CB 1.841 74 residues pruned to eliminate duplicates Z: 20 17.146 2.124 0.602 0.344 0.947 0.579 CB 1.446 20 residues pruned to eliminate duplicates Z: 74 76.044 2.486 0.895 0.671 0.904 0.767 CB 1.784 74 residues pruned to eliminate duplicates Z: 52 52.863 2.498 0.738 0.544 0.902 0.706 CB 1.811 52 residues pruned to eliminate duplicates Z: 20 23.800 2.188 0.871 0.390 0.947 0.579 CB 1.582 20 residues pruned to eliminate duplicates Z: 75 78.437 2.497 0.798 0.638 0.973 0.676 CB 1.834 75 residues pruned to eliminate duplicates Z: 113 89.532 2.483 0.820 0.604 0.920 0.688 CB 1.844 113 residues pruned to eliminate duplicates Z: 110 91.403 2.503 0.877 0.618 0.927 0.688 CB 1.799 110 residues pruned to eliminate duplicates Z: 90 84.426 2.511 0.872 0.628 0.944 0.708 CB 1.789 90 residues pruned to eliminate duplicates Z: 113 90.432 2.487 0.893 0.599 0.902 0.661 CB 1.832 113 residues pruned to eliminate duplicates Z: 44 45.460 2.355 0.749 0.533 0.884 0.581 CB 1.844 44 residues pruned to eliminate duplicates Z: 39 43.664 2.422 0.542 0.595 0.921 0.684 CB 1.881 39 residues pruned to eliminate duplicates Z: 43 45.282 2.381 0.670 0.540 0.905 0.690 CB 1.867 43 residues pruned to eliminate duplicates Z: 76 69.217 2.369 0.832 0.616 0.933 0.693 CB 1.769 76 residues pruned to eliminate duplicates Z: 113 91.737 2.498 0.883 0.602 0.929 0.679 CB 1.800 113 residues pruned to eliminate duplicates Z: 62 68.427 2.379 0.809 0.683 0.984 0.738 CB 1.750 62 residues pruned to eliminate duplicates Z: 40 40.390 2.364 0.561 0.553 0.923 0.641 CB 1.803 40 residues pruned to eliminate duplicates Z: 39 47.302 2.421 0.730 0.575 0.947 0.763 CB 1.800 39 residues pruned to eliminate duplicates Z: 39 45.538 2.426 0.737 0.543 0.921 0.605 CB 1.825 39 residues pruned to eliminate duplicates Z: 39 49.049 2.421 0.802 0.565 0.921 0.711 CB 1.859 39 residues pruned to eliminate duplicates Z: 39 52.935 2.458 0.789 0.606 0.974 0.711 CB 1.814 39 residues pruned to eliminate duplicates Z: 44 43.317 2.352 0.708 0.540 0.860 0.628 CB 1.838 44 residues pruned to eliminate duplicates Z: 75 62.222 2.459 0.798 0.512 0.905 0.635 CB 1.786 75 residues pruned to eliminate duplicates Z: 61 77.370 2.425 0.908 0.709 0.983 0.783 CB 1.816 61 residues pruned to eliminate duplicates Z: 62 76.350 2.410 1.009 0.689 0.951 0.738 CB 1.786 62 residues pruned to eliminate duplicates Z: 110 91.939 2.516 0.785 0.635 0.954 0.798 CB 1.810 110 residues pruned to eliminate duplicates Z: 48 48.460 2.387 0.687 0.550 0.936 0.617 CB 1.786 48 residues pruned to eliminate duplicates Z: 38 54.651 2.470 0.860 0.594 0.973 0.865 CB 1.838 38 residues pruned to eliminate duplicates Z: 87 71.156 2.505 0.717 0.550 0.930 0.709 CB 1.825 87 residues pruned to eliminate duplicates Z: 111 91.915 2.485 0.880 0.620 0.927 0.682 CB 1.806 111 residues pruned to eliminate duplicates Z: 38 55.416 2.463 0.775 0.628 0.973 0.676 CB 1.899 38 residues pruned to eliminate duplicates Z: 39 50.625 2.435 0.686 0.587 0.974 0.684 CB 1.890 39 residues pruned to eliminate duplicates Z: 65 77.413 2.409 0.894 0.698 0.953 0.781 CB 1.856 65 residues pruned to eliminate duplicates Z: 109 97.045 2.505 0.902 0.623 0.963 0.722 CB 1.813 109 residues pruned to eliminate duplicates Z: 42 44.056 2.383 0.643 0.565 0.902 0.756 CB 1.829 42 residues pruned to eliminate duplicates Z: 64 69.948 2.404 0.911 0.671 0.921 0.746 CB 1.779 64 residues pruned to eliminate duplicates Z: 65 73.524 2.367 0.893 0.679 0.984 0.766 CB 1.767 65 residues pruned to eliminate duplicates Z: 42 49.769 2.427 0.717 0.574 0.927 0.780 CB 1.874 42 residues pruned to eliminate duplicates Z: 39 47.989 2.428 0.800 0.612 0.921 0.711 CB 1.739 39 residues pruned to eliminate duplicates Z: 66 65.837 2.342 0.820 0.656 0.954 0.677 CB 1.737 66 residues pruned to eliminate duplicates Z: 68 58.787 2.452 0.727 0.540 0.925 0.731 CB 1.763 68 residues pruned to eliminate duplicates Z: 69 71.736 2.375 0.844 0.708 0.941 0.809 CB 1.747 69 residues pruned to eliminate duplicates Z: 116 82.455 2.421 0.802 0.608 0.896 0.713 CB 1.776 116 residues pruned to eliminate duplicates Z: 50 55.793 2.426 0.814 0.625 0.918 0.571 CB 1.753 50 residues pruned to eliminate duplicates Z: 60 54.864 2.490 0.707 0.554 0.881 0.576 CB 1.809 60 residues pruned to eliminate duplicates Z: 106 85.629 2.454 0.765 0.661 0.914 0.686 CB 1.817 106 residues pruned to eliminate duplicates Z: 72 78.478 2.522 0.918 0.667 0.915 0.507 CB 1.803 72 residues pruned to eliminate duplicates Z: 60 81.617 2.558 0.922 0.739 0.932 0.661 CB 1.871 60 residues pruned to eliminate duplicates Z: 26 54.497 2.445 1.054 0.856 0.960 0.440 CB 1.668 26 residues pruned to eliminate duplicates Z: 54 85.920 2.597 1.041 0.753 0.943 0.642 CB 1.884 54 residues pruned to eliminate duplicates Z: 74 84.970 2.533 0.972 0.663 0.945 0.671 CB 1.810 74 residues pruned to eliminate duplicates Z: 73 83.343 2.546 0.999 0.625 0.917 0.708 CB 1.871 73 residues pruned to eliminate duplicates Z: 74 87.394 2.537 0.952 0.662 0.973 0.699 CB 1.828 74 residues pruned to eliminate duplicates Z: 60 84.400 2.558 0.956 0.731 0.966 0.678 CB 1.846 60 residues pruned to eliminate duplicates Z: 74 80.789 2.489 0.917 0.666 0.932 0.671 CB 1.823 74 residues pruned to eliminate duplicates Z: 74 86.183 2.542 0.924 0.654 0.945 0.671 CB 1.892 74 residues pruned to eliminate duplicates Z: 7 16.909 2.246 0.767 0.544 1.000 0.833 CB 1.666 7 residues pruned to eliminate duplicates Z: 74 85.463 2.543 0.890 0.654 0.959 0.726 CB 1.882 74 residues pruned to eliminate duplicates Z: 73 81.409 2.535 0.928 0.648 0.917 0.681 CB 1.865 73 residues pruned to eliminate duplicates Z: 74 81.499 2.537 0.829 0.665 0.945 0.712 CB 1.866 74 residues pruned to eliminate duplicates Z: 74 90.709 2.543 0.986 0.655 0.986 0.767 CB 1.845 74 residues pruned to eliminate duplicates Z: 11 18.775 2.196 0.459 0.649 0.900 0.800 CB 1.793 11 residues pruned to eliminate duplicates Z: 58 72.643 2.489 0.966 0.685 0.930 0.632 CB 1.784 58 residues pruned to eliminate duplicates Z: 74 88.835 2.551 0.944 0.649 0.973 0.589 CB 1.876 74 residues pruned to eliminate duplicates Z: 61 72.930 2.424 0.867 0.712 0.933 0.750 CB 1.839 61 residues pruned to eliminate duplicates Z: 62 63.559 2.376 0.726 0.693 0.934 0.721 CB 1.780 62 residues pruned to eliminate duplicates Z: 65 65.195 2.402 0.828 0.659 0.875 0.719 CB 1.831 65 residues pruned to eliminate duplicates Z: 62 72.390 2.394 0.846 0.711 0.934 0.738 CB 1.854 62 residues pruned to eliminate duplicates Z: 63 70.344 2.386 0.864 0.677 0.952 0.758 CB 1.793 63 residues pruned to eliminate duplicates Z: 28 42.766 2.282 0.799 0.773 0.926 0.778 CB 1.701 28 residues pruned to eliminate duplicates Z: 26 42.893 2.209 0.856 0.803 0.960 0.840 CB 1.673 Z: 25 55.745 2.254 1.135 0.935 1.000 0.792 CB 1.648 51 residues pruned to eliminate duplicates Z: 63 66.406 2.373 0.779 0.699 0.968 0.758 CB 1.723 63 residues pruned to eliminate duplicates Z: 14 22.079 2.181 0.725 0.624 0.923 0.692 CB 1.570 Z: 10 30.843 2.440 0.749 0.802 1.000 0.889 CA 1.851 14 residues pruned to eliminate duplicates Z: 7 5.817 1.874 0.376 0.353 0.833 0.333 CA 1.296 Z: 8 9.664 1.961 0.647 0.405 0.857 0.429 CA 1.458 7 residues pruned to eliminate duplicates Z: 6 7.516 1.915 0.699 0.391 1.000 0.600 CA 1.159 5 residues pruned to eliminate duplicates 197 residues left after pruning, divided into chains as follows: A: 36 B: 52 C: 90 D: 10 E: 9 CC for partial structure against native data = 30.60 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.495, Connect. = 0.730 for dens.mod. cycle 1 = 0.300, Contrast = 0.569, Connect. = 0.760 for dens.mod. cycle 2 = 0.300, Contrast = 0.688, Connect. = 0.797 for dens.mod. cycle 3 = 0.300, Contrast = 0.702, Connect. = 0.802 for dens.mod. cycle 4 = 0.300, Contrast = 0.717, Connect. = 0.806 for dens.mod. cycle 5 = 0.300, Contrast = 0.725, Connect. = 0.809 for dens.mod. cycle 6 = 0.300, Contrast = 0.733, Connect. = 0.811 for dens.mod. cycle 7 = 0.300, Contrast = 0.738, Connect. = 0.813 for dens.mod. cycle 8 = 0.300, Contrast = 0.742, Connect. = 0.814 for dens.mod. cycle 9 = 0.300, Contrast = 0.744, Connect. = 0.815 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1623 peaks > 0.5 sigma used to seed fragment search Space for about 333 unique residues taking solvent into account 313 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 32.333 2.327 0.738 0.848 1.000 0.923 CB 1.644 B: 17 24.611 2.331 0.812 0.602 0.875 0.688 CB 1.511 C: 14 29.922 2.292 0.718 0.846 1.000 1.000 CB 1.565 14 residues pruned to eliminate duplicates D: 13 32.987 2.304 0.805 0.887 1.000 0.833 CB 1.651 E: 14 31.724 2.305 0.685 0.817 1.000 0.846 CB 1.720 14 residues pruned to eliminate duplicates F: 13 35.959 2.443 0.762 0.858 1.000 0.917 CB 1.776 14 residues pruned to eliminate duplicates G: 10 19.132 2.220 1.060 0.600 1.000 1.000 CB 1.267 H: 19 24.122 2.213 0.851 0.528 0.944 0.722 CB 1.430 12 residues pruned to eliminate duplicates I: 60 77.266 2.542 0.892 0.703 0.949 0.763 CB 1.832 13 residues pruned to eliminate duplicates J: 14 29.466 2.135 1.018 0.861 1.000 0.846 CB 1.394 13 residues pruned to eliminate duplicates K: 14 12.829 1.934 0.781 0.336 1.000 0.615 CA 1.235 L: 7 19.320 2.282 0.640 0.815 0.833 0.833 CB 1.922 7 residues pruned to eliminate duplicates M: 25 14.117 1.776 0.697 0.338 0.917 0.625 CB 1.245 14 residues pruned to eliminate duplicates N: 21 19.930 2.312 0.318 0.471 0.900 0.750 CB 1.673 O: 74 78.180 2.492 0.870 0.656 0.959 0.781 CB 1.772 60 residues pruned to eliminate duplicates P: 23 57.750 2.392 1.057 0.907 0.955 0.864 CB 1.863 23 residues pruned to eliminate duplicates Q: 25 60.787 2.367 1.052 0.932 1.000 0.750 CB 1.785 25 residues pruned to eliminate duplicates R: 22 55.615 2.461 1.218 0.893 0.905 0.714 CB 1.763 22 residues pruned to eliminate duplicates S: 24 41.096 2.219 0.684 0.904 1.000 0.913 CB 1.633 T: 60 68.281 2.375 0.818 0.712 0.949 0.695 CB 1.790 68 residues pruned to eliminate duplicates U: 25 40.652 2.230 0.673 0.915 1.000 0.792 CB 1.572 25 residues pruned to eliminate duplicates V: 24 54.883 2.391 0.931 0.907 1.000 0.870 CB 1.762 24 residues pruned to eliminate duplicates W: 18 24.151 2.219 0.761 0.605 0.941 0.588 CB 1.442 18 residues pruned to eliminate duplicates X: 15 27.426 2.304 0.339 0.895 1.000 0.857 CB 1.704 Y: 23 59.219 2.483 1.095 0.944 0.955 0.818 CB 1.760 23 residues pruned to eliminate duplicates Z: 9 25.560 2.268 1.031 0.701 1.000 1.000 CB 1.633 10 residues pruned to eliminate duplicates Z: 12 37.839 2.303 1.113 0.915 1.000 0.909 CB 1.657 12 residues pruned to eliminate duplicates Z: 25 40.334 2.106 0.791 0.901 1.000 0.750 CA 1.558 25 residues pruned to eliminate duplicates Z: 12 26.815 2.359 0.494 0.922 1.000 1.000 CB 1.613 12 residues pruned to eliminate duplicates Z: 14 27.809 2.313 0.553 0.823 1.000 0.846 CB 1.623 14 residues pruned to eliminate duplicates Z: 24 58.337 2.393 0.945 0.952 1.000 0.957 CB 1.801 24 residues pruned to eliminate duplicates Z: 10 12.974 1.828 0.297 0.751 1.000 0.667 C 1.458 10 residues pruned to eliminate duplicates Z: 14 28.304 2.315 0.505 0.803 1.000 0.846 CB 1.730 14 residues pruned to eliminate duplicates Z: 24 48.041 2.394 0.775 0.924 0.957 0.870 CB 1.731 24 residues pruned to eliminate duplicates Z: 23 53.834 2.442 0.799 0.944 1.000 0.864 CB 1.810 23 residues pruned to eliminate duplicates Z: 7 14.275 1.966 1.020 0.520 1.000 0.833 CB 1.438 7 residues pruned to eliminate duplicates Z: 25 44.733 2.209 0.810 0.923 1.000 0.792 CB 1.605 25 residues pruned to eliminate duplicates Z: 23 54.132 2.470 0.922 0.943 0.955 0.864 CB 1.765 23 residues pruned to eliminate duplicates Z: 24 50.975 2.364 0.972 0.923 0.957 0.826 CB 1.675 24 residues pruned to eliminate duplicates Z: 16 35.005 2.205 0.682 0.913 1.000 0.867 CB 1.724 Z: 12 29.103 2.188 1.015 0.878 0.909 0.818 CB 1.589 12 residues pruned to eliminate duplicates Z: 24 44.196 2.219 0.777 0.928 1.000 0.870 CB 1.636 24 residues pruned to eliminate duplicates Z: 17 25.325 2.124 0.391 0.884 1.000 0.812 CB 1.548 16 residues pruned to eliminate duplicates Z: 24 42.677 2.392 0.542 0.881 0.957 0.783 CB 1.826 24 residues pruned to eliminate duplicates Z: 24 43.874 2.471 0.521 0.870 0.957 0.783 CB 1.859 24 residues pruned to eliminate duplicates Z: 24 54.101 2.493 0.970 0.913 0.913 0.826 CB 1.781 24 residues pruned to eliminate duplicates Z: 13 33.123 2.383 0.972 0.859 0.917 0.833 CB 1.634 13 residues pruned to eliminate duplicates Z: 12 29.625 2.451 0.500 0.879 1.000 1.000 CB 1.762 12 residues pruned to eliminate duplicates Z: 17 27.505 2.136 0.489 0.898 1.000 0.875 CB 1.547 17 residues pruned to eliminate duplicates Z: 17 22.550 2.084 0.290 0.879 0.938 0.875 CA 1.622 17 residues pruned to eliminate duplicates Z: 12 12.302 2.094 0.321 0.625 0.727 0.545 CB 1.640 12 residues pruned to eliminate duplicates Z: 14 28.613 2.315 0.558 0.820 1.000 0.846 CB 1.667 14 residues pruned to eliminate duplicates Z: 23 57.619 2.457 1.019 0.941 1.000 0.818 CB 1.719 23 residues pruned to eliminate duplicates Z: 23 50.780 2.421 0.762 0.922 1.000 0.909 CB 1.785 23 residues pruned to eliminate duplicates Z: 57 79.925 2.575 0.985 0.717 0.946 0.679 CB 1.814 57 residues pruned to eliminate duplicates Z: 24 38.431 2.187 0.573 0.907 1.000 0.913 CB 1.656 24 residues pruned to eliminate duplicates Z: 9 22.774 2.201 0.751 0.731 1.000 1.000 CA 1.697 9 residues pruned to eliminate duplicates Z: 16 26.865 2.159 0.511 0.903 1.000 0.800 CB 1.516 15 residues pruned to eliminate duplicates Z: 74 77.317 2.392 0.966 0.629 0.959 0.767 CB 1.778 75 residues pruned to eliminate duplicates Z: 23 49.165 2.252 1.023 0.906 1.000 0.636 CB 1.637 23 residues pruned to eliminate duplicates Z: 22 57.336 2.518 1.091 0.917 0.952 0.810 CB 1.760 22 residues pruned to eliminate duplicates Z: 18 25.412 2.127 0.473 0.907 1.000 0.765 CB 1.398 18 residues pruned to eliminate duplicates Z: 8 10.389 2.036 0.201 0.673 0.857 0.571 CA 1.597 8 residues pruned to eliminate duplicates Z: 6 7.826 1.873 0.343 0.755 0.800 0.600 CA 1.386 6 residues pruned to eliminate duplicates Z: 6 12.527 2.033 0.479 0.775 1.000 0.600 C 1.461 6 residues pruned to eliminate duplicates Z: 24 51.326 2.263 0.903 0.936 1.000 0.826 CB 1.730 24 residues pruned to eliminate duplicates Z: 17 28.029 2.128 0.522 0.896 1.000 0.812 CB 1.550 17 residues pruned to eliminate duplicates Z: 16 32.326 2.154 0.739 0.943 0.933 0.800 CA 1.654 16 residues pruned to eliminate duplicates Z: 14 28.724 2.311 0.575 0.815 1.000 0.846 CB 1.665 14 residues pruned to eliminate duplicates Z: 12 32.260 2.496 0.864 0.868 0.909 0.909 CB 1.681 12 residues pruned to eliminate duplicates Z: 16 33.779 2.194 0.674 0.927 1.000 0.733 CB 1.663 16 residues pruned to eliminate duplicates Z: 24 47.551 2.227 0.817 0.926 1.000 0.826 CA 1.719 24 residues pruned to eliminate duplicates Z: 11 16.454 1.740 0.748 0.730 1.000 0.800 CB 1.391 11 residues pruned to eliminate duplicates Z: 16 29.099 2.207 0.591 0.864 0.933 0.733 CB 1.681 16 residues pruned to eliminate duplicates Z: 12 35.834 2.356 0.912 0.908 1.000 1.000 CB 1.704 12 residues pruned to eliminate duplicates Z: 40 42.866 2.344 0.740 0.573 0.923 0.564 CB 1.700 40 residues pruned to eliminate duplicates Z: 24 49.548 2.270 0.892 0.930 1.000 0.826 CA 1.682 24 residues pruned to eliminate duplicates Z: 17 23.640 2.253 0.973 0.449 1.000 0.812 CB 1.400 17 residues pruned to eliminate duplicates Z: 16 33.559 2.199 0.715 0.908 0.933 0.933 CB 1.748 16 residues pruned to eliminate duplicates Z: 15 25.618 2.255 0.542 0.892 0.857 0.786 CB 1.650 15 residues pruned to eliminate duplicates Z: 25 47.291 2.388 0.658 0.924 1.000 0.875 CB 1.711 25 residues pruned to eliminate duplicates Z: 24 44.595 2.238 0.764 0.943 1.000 0.957 CA 1.633 24 residues pruned to eliminate duplicates Z: 12 11.322 2.266 0.186 0.636 0.727 0.455 CA 1.538 12 residues pruned to eliminate duplicates Z: 24 52.374 2.251 0.973 0.951 1.000 0.826 CB 1.694 24 residues pruned to eliminate duplicates Z: 23 50.765 2.457 0.728 0.938 1.000 0.955 CB 1.773 23 residues pruned to eliminate duplicates Z: 24 49.348 2.246 1.011 0.918 1.000 0.826 CB 1.606 24 residues pruned to eliminate duplicates Z: 10 11.898 1.824 0.224 0.856 1.000 0.889 N 1.311 10 residues pruned to eliminate duplicates Z: 40 62.875 2.450 0.880 0.787 0.949 0.667 CB 1.791 40 residues pruned to eliminate duplicates Z: 17 28.494 2.077 0.609 0.843 1.000 0.688 CB 1.588 17 residues pruned to eliminate duplicates Z: 13 23.610 2.241 0.694 0.855 0.917 0.833 CB 1.446 13 residues pruned to eliminate duplicates Z: 23 44.350 2.380 0.532 0.927 1.000 0.864 CB 1.817 23 residues pruned to eliminate duplicates Z: 38 53.860 2.578 0.739 0.605 0.919 0.703 CB 1.946 38 residues pruned to eliminate duplicates Z: 65 68.620 2.329 0.904 0.683 0.938 0.688 CB 1.744 65 residues pruned to eliminate duplicates Z: 11 15.495 2.137 0.483 0.772 0.700 0.300 CB 1.736 11 residues pruned to eliminate duplicates Z: 8 11.211 2.112 -0.009 0.819 1.000 0.571 CA 1.535 8 residues pruned to eliminate duplicates Z: 24 55.774 2.426 1.122 0.887 0.957 0.783 CB 1.702 24 residues pruned to eliminate duplicates Z: 16 26.898 2.323 0.854 0.633 0.933 0.533 CB 1.525 16 residues pruned to eliminate duplicates Z: 24 46.900 2.258 0.798 0.938 1.000 0.913 CA 1.674 24 residues pruned to eliminate duplicates Z: 59 71.230 2.405 0.833 0.717 0.966 0.724 CB 1.805 59 residues pruned to eliminate duplicates Z: 24 37.752 2.357 0.395 0.927 0.957 0.957 CB 1.753 24 residues pruned to eliminate duplicates Z: 17 25.734 2.198 0.441 0.881 1.000 0.688 CB 1.471 17 residues pruned to eliminate duplicates Z: 14 28.145 2.260 0.547 0.813 1.000 0.769 CB 1.700 14 residues pruned to eliminate duplicates Z: 24 59.086 2.429 1.070 0.938 0.957 0.870 CB 1.782 24 residues pruned to eliminate duplicates Z: 25 27.229 2.249 0.682 0.459 0.875 0.542 CB 1.751 25 residues pruned to eliminate duplicates Z: 23 48.833 2.278 0.871 0.934 1.000 0.955 CA 1.703 23 residues pruned to eliminate duplicates Z: 12 27.508 2.327 0.516 0.907 1.000 0.909 CB 1.672 12 residues pruned to eliminate duplicates Z: 16 24.051 2.179 0.432 0.888 0.933 0.733 CB 1.536 16 residues pruned to eliminate duplicates Z: 25 46.949 2.317 0.845 0.925 1.000 0.875 CB 1.574 25 residues pruned to eliminate duplicates Z: 12 40.677 2.406 1.189 0.919 1.000 0.909 CB 1.641 12 residues pruned to eliminate duplicates Z: 37 33.563 2.192 0.763 0.597 0.861 0.722 CB 1.532 33 residues pruned to eliminate duplicates Z: 36 43.038 2.421 0.685 0.610 0.857 0.571 CB 1.874 36 residues pruned to eliminate duplicates Z: 57 43.425 2.263 0.729 0.538 0.839 0.589 CB 1.702 57 residues pruned to eliminate duplicates Z: 25 41.696 2.200 0.653 0.923 1.000 0.958 CA 1.644 25 residues pruned to eliminate duplicates Z: 6 11.761 2.037 0.636 0.810 1.000 0.800 CB 1.204 6 residues pruned to eliminate duplicates Z: 14 20.963 2.415 0.598 0.529 0.923 0.615 CB 1.586 14 residues pruned to eliminate duplicates Z: 24 47.118 2.184 0.997 0.936 0.957 0.826 CB 1.640 24 residues pruned to eliminate duplicates Z: 13 21.451 2.154 0.511 0.783 0.917 0.417 CB 1.617 13 residues pruned to eliminate duplicates Z: 36 69.376 2.559 1.034 0.801 0.943 0.800 CB 1.837 37 residues pruned to eliminate duplicates Z: 10 16.979 2.140 0.771 0.525 0.889 0.667 CB 1.638 10 residues pruned to eliminate duplicates Z: 23 34.037 2.222 0.497 0.919 0.955 0.773 CB 1.610 23 residues pruned to eliminate duplicates Z: 13 22.899 2.382 0.289 0.845 1.000 1.000 CB 1.600 13 residues pruned to eliminate duplicates Z: 12 29.554 2.491 0.691 0.863 1.000 0.909 CB 1.552 12 residues pruned to eliminate duplicates Z: 16 21.244 2.131 0.189 0.937 1.000 0.933 CB 1.508 16 residues pruned to eliminate duplicates Z: 8 14.429 1.919 0.569 0.826 1.000 0.714 CA 1.365 8 residues pruned to eliminate duplicates Z: 11 26.152 2.391 0.626 0.909 1.000 0.700 CB 1.510 11 residues pruned to eliminate duplicates Z: 8 11.192 1.987 0.724 0.567 0.857 0.571 CB 1.350 8 residues pruned to eliminate duplicates Z: 16 23.506 2.343 0.717 0.564 0.867 0.667 CB 1.636 16 residues pruned to eliminate duplicates Z: 11 35.035 2.549 0.657 0.884 1.000 1.000 CB 1.895 11 residues pruned to eliminate duplicates Z: 58 76.676 2.489 0.950 0.728 0.930 0.737 CB 1.832 58 residues pruned to eliminate duplicates Z: 16 23.833 2.136 0.389 0.889 1.000 0.800 CB 1.493 16 residues pruned to eliminate duplicates Z: 55 44.880 2.267 0.772 0.584 0.889 0.630 CB 1.578 55 residues pruned to eliminate duplicates Z: 35 52.961 2.585 0.663 0.625 0.941 0.853 CB 1.996 35 residues pruned to eliminate duplicates Z: 15 33.538 2.341 0.511 0.931 1.000 0.714 CB 1.770 16 residues pruned to eliminate duplicates Z: 14 11.122 1.878 0.635 0.335 1.000 0.615 CA 1.204 14 residues pruned to eliminate duplicates Z: 61 76.004 2.372 0.976 0.729 0.967 0.783 CB 1.763 60 residues pruned to eliminate duplicates Z: 16 22.532 2.139 0.271 0.929 1.000 0.667 CB 1.497 16 residues pruned to eliminate duplicates Z: 21 34.877 2.279 0.721 0.735 0.950 0.700 CB 1.694 21 residues pruned to eliminate duplicates Z: 6 4.912 1.941 -0.046 0.745 1.000 0.600 CB 0.953 6 residues pruned to eliminate duplicates Z: 24 53.246 2.232 1.019 0.950 1.000 0.783 CB 1.699 25 residues pruned to eliminate duplicates Z: 17 23.831 2.191 0.898 0.610 0.875 0.625 CB 1.475 16 residues pruned to eliminate duplicates Z: 24 60.118 2.355 1.148 0.942 1.000 0.739 CB 1.718 24 residues pruned to eliminate duplicates Z: 24 54.191 2.255 1.078 0.928 1.000 0.739 CB 1.689 24 residues pruned to eliminate duplicates Z: 23 27.907 2.121 0.762 0.631 0.909 0.636 CB 1.548 23 residues pruned to eliminate duplicates Z: 9 11.184 1.984 0.768 0.409 0.750 0.625 CA 1.654 9 residues pruned to eliminate duplicates Z: 24 48.058 2.209 0.830 0.936 1.000 0.870 CA 1.726 24 residues pruned to eliminate duplicates Z: 20 14.513 2.059 0.663 0.331 0.789 0.684 CB 1.483 15 residues pruned to eliminate duplicates Z: 41 46.030 2.340 0.687 0.605 0.975 0.625 CB 1.711 41 residues pruned to eliminate duplicates Z: 7 6.764 2.029 0.618 0.392 0.833 0.667 CB 1.131 7 residues pruned to eliminate duplicates Z: 58 86.413 2.589 0.952 0.724 0.982 0.667 CB 1.884 78 residues pruned to eliminate duplicates Z: 54 51.830 2.487 0.772 0.507 0.906 0.698 CB 1.771 39 residues pruned to eliminate duplicates Z: 15 31.589 2.249 0.674 0.915 0.929 0.786 CB 1.706 15 residues pruned to eliminate duplicates Z: 25 49.708 2.232 0.968 0.906 1.000 0.708 CB 1.642 25 residues pruned to eliminate duplicates Z: 72 72.344 2.481 0.923 0.627 0.944 0.690 CB 1.693 72 residues pruned to eliminate duplicates Z: 24 60.979 2.487 1.110 0.924 0.957 0.913 CB 1.779 24 residues pruned to eliminate duplicates Z: 12 31.646 2.367 0.734 0.898 1.000 1.000 CB 1.663 12 residues pruned to eliminate duplicates Z: 23 49.096 2.292 1.101 0.921 0.955 0.864 CB 1.602 23 residues pruned to eliminate duplicates Z: 15 25.371 2.373 0.668 0.614 0.929 0.571 CB 1.656 17 residues pruned to eliminate duplicates Z: 42 55.420 2.559 0.818 0.588 0.927 0.659 CB 1.845 42 residues pruned to eliminate duplicates Z: 13 27.086 2.336 0.836 0.810 0.917 0.750 CB 1.518 13 residues pruned to eliminate duplicates Z: 24 49.068 2.332 0.887 0.925 0.957 0.565 CB 1.706 24 residues pruned to eliminate duplicates Z: 25 53.101 2.247 1.005 0.949 1.000 0.750 CB 1.660 25 residues pruned to eliminate duplicates Z: 15 30.501 2.255 0.574 0.889 1.000 0.929 CB 1.654 14 residues pruned to eliminate duplicates Z: 14 18.893 2.145 0.773 0.539 0.846 0.615 CB 1.568 14 residues pruned to eliminate duplicates Z: 35 51.792 2.501 0.827 0.590 0.912 0.559 CB 1.956 35 residues pruned to eliminate duplicates Z: 24 49.053 2.262 0.913 0.930 1.000 0.870 CB 1.653 24 residues pruned to eliminate duplicates Z: 9 11.487 2.383 0.095 0.643 0.750 0.375 CB 1.815 9 residues pruned to eliminate duplicates Z: 20 39.520 2.207 0.892 0.872 1.000 0.895 CB 1.583 20 residues pruned to eliminate duplicates Z: 15 30.672 2.248 0.705 0.894 1.000 0.286 CB 1.534 15 residues pruned to eliminate duplicates Z: 16 31.199 2.115 0.790 0.910 1.000 0.600 CB 1.509 16 residues pruned to eliminate duplicates Z: 74 69.199 2.473 0.866 0.589 0.904 0.712 CB 1.783 74 residues pruned to eliminate duplicates Z: 24 55.471 2.305 1.084 0.913 1.000 0.783 CB 1.704 25 residues pruned to eliminate duplicates Z: 62 71.669 2.400 0.879 0.680 0.934 0.754 CB 1.845 62 residues pruned to eliminate duplicates Z: 24 41.926 2.263 0.649 0.886 0.957 0.913 CB 1.766 24 residues pruned to eliminate duplicates Z: 14 24.420 2.143 1.044 0.625 0.923 0.538 CB 1.488 14 residues pruned to eliminate duplicates Z: 7 2.676 1.438 0.349 0.246 1.000 0.667 CB 0.755 Z: 8 9.207 2.034 0.795 0.341 0.714 0.429 CB 1.587 8 residues pruned to eliminate duplicates Z: 9 6.705 1.844 0.336 0.416 0.875 0.875 CB 1.200 9 residues pruned to eliminate duplicates Z: 23 44.433 2.263 0.802 0.902 0.955 0.727 CA 1.737 22 residues pruned to eliminate duplicates Z: 18 17.362 2.059 0.962 0.412 0.882 0.706 CA 1.296 18 residues pruned to eliminate duplicates Z: 90 64.012 2.431 0.686 0.554 0.933 0.652 CB 1.684 122 residues pruned to eliminate duplicates Z: 16 29.153 2.306 1.003 0.594 1.000 0.667 CB 1.490 15 residues pruned to eliminate duplicates Z: 105 83.221 2.504 0.767 0.637 0.913 0.663 CB 1.776 105 residues pruned to eliminate duplicates Z: 25 51.812 2.326 0.900 0.928 1.000 0.958 CB 1.676 25 residues pruned to eliminate duplicates Z: 20 12.114 1.858 0.578 0.386 0.842 0.737 CB 1.270 20 residues pruned to eliminate duplicates Z: 18 18.180 2.160 0.658 0.510 0.882 0.706 CB 1.381 18 residues pruned to eliminate duplicates Z: 24 60.577 2.448 1.026 0.937 1.000 0.783 CB 1.772 24 residues pruned to eliminate duplicates Z: 7 6.525 1.927 0.283 0.496 0.667 0.333 CB 1.622 7 residues pruned to eliminate duplicates Z: 24 53.299 2.397 0.818 0.949 1.000 0.870 CB 1.760 24 residues pruned to eliminate duplicates Z: 6 12.436 1.855 0.609 0.850 1.000 1.000 CB 1.380 6 residues pruned to eliminate duplicates Z: 24 62.705 2.354 1.312 0.943 1.000 0.826 CB 1.665 24 residues pruned to eliminate duplicates Z: 47 52.003 2.573 0.661 0.544 0.913 0.674 CB 1.881 47 residues pruned to eliminate duplicates Z: 12 38.997 2.312 1.090 0.915 1.000 0.818 CB 1.720 12 residues pruned to eliminate duplicates Z: 36 69.721 2.543 1.105 0.782 0.943 0.743 CB 1.822 36 residues pruned to eliminate duplicates Z: 6 7.476 1.908 0.191 0.798 1.000 1.000 CB 1.133 6 residues pruned to eliminate duplicates Z: 7 10.382 1.817 1.027 0.530 0.833 0.667 N 1.340 Z: 16 22.563 2.022 0.716 0.844 0.867 0.733 CB 1.441 16 residues pruned to eliminate duplicates Z: 16 15.659 2.128 0.445 0.572 0.867 0.600 CB 1.415 16 residues pruned to eliminate duplicates Z: 14 31.876 2.563 0.954 0.556 0.846 0.692 CB 1.975 14 residues pruned to eliminate duplicates Z: 16 28.192 2.196 0.411 0.926 1.000 0.867 CB 1.647 16 residues pruned to eliminate duplicates Z: 7 9.569 1.862 0.360 0.782 1.000 0.667 CA 1.203 7 residues pruned to eliminate duplicates Z: 16 14.504 1.969 0.660 0.456 0.867 0.533 CB 1.382 16 residues pruned to eliminate duplicates Z: 57 77.138 2.561 0.840 0.735 0.929 0.714 CB 1.907 57 residues pruned to eliminate duplicates Z: 17 24.001 2.074 0.453 0.877 1.000 0.812 CB 1.446 17 residues pruned to eliminate duplicates Z: 24 55.109 2.302 1.063 0.920 1.000 0.783 CB 1.704 24 residues pruned to eliminate duplicates Z: 24 49.351 2.330 0.707 0.913 1.000 0.957 CB 1.830 24 residues pruned to eliminate duplicates Z: 17 17.465 2.216 0.435 0.542 0.875 0.688 CB 1.507 17 residues pruned to eliminate duplicates Z: 9 9.281 2.109 0.615 0.504 0.750 0.500 CB 1.280 9 residues pruned to eliminate duplicates Z: 13 17.819 2.313 0.764 0.309 0.917 0.833 CB 1.700 13 residues pruned to eliminate duplicates Z: 24 52.634 2.464 0.764 0.912 1.000 0.870 CB 1.789 24 residues pruned to eliminate duplicates Z: 16 26.451 2.186 0.585 0.919 1.000 1.000 CB 1.390 16 residues pruned to eliminate duplicates Z: 18 16.456 2.093 0.407 0.505 0.941 0.471 CB 1.433 18 residues pruned to eliminate duplicates Z: 45 42.657 2.299 0.604 0.586 0.909 0.682 CB 1.767 45 residues pruned to eliminate duplicates Z: 8 8.591 1.832 1.013 0.545 0.714 0.429 CB 1.179 8 residues pruned to eliminate duplicates Z: 21 30.982 2.126 0.888 0.801 0.900 0.700 CB 1.474 21 residues pruned to eliminate duplicates Z: 7 12.320 2.033 0.457 0.813 0.833 0.333 CB 1.551 7 residues pruned to eliminate duplicates Z: 22 31.490 2.134 0.903 0.742 0.905 0.619 CB 1.507 17 residues pruned to eliminate duplicates Z: 7 4.061 1.707 0.659 0.355 0.667 0.333 N 1.026 Z: 23 48.566 2.272 0.888 0.930 1.000 0.955 CB 1.688 Z: 19 17.768 2.172 0.439 0.535 0.944 0.667 CB 1.371 19 residues pruned to eliminate duplicates Z: 24 48.537 2.287 1.136 0.922 0.913 0.826 CB 1.596 23 residues pruned to eliminate duplicates Z: 9 16.281 2.010 0.333 0.849 1.000 0.750 CA 1.592 9 residues pruned to eliminate duplicates Z: 16 19.318 1.943 0.830 0.843 0.800 0.267 CB 1.305 16 residues pruned to eliminate duplicates Z: 24 44.440 2.216 0.741 0.947 1.000 0.913 CA 1.660 24 residues pruned to eliminate duplicates Z: 51 64.647 2.448 0.776 0.732 0.960 0.820 CB 1.778 51 residues pruned to eliminate duplicates Z: 56 64.721 2.518 0.745 0.674 0.927 0.709 CB 1.824 56 residues pruned to eliminate duplicates Z: 24 54.503 2.433 0.899 0.909 0.957 0.870 CB 1.826 24 residues pruned to eliminate duplicates Z: 38 37.726 2.441 0.707 0.485 0.892 0.595 CB 1.694 38 residues pruned to eliminate duplicates Z: 53 78.380 2.533 0.950 0.738 0.981 0.731 CB 1.813 54 residues pruned to eliminate duplicates Z: 7 10.588 1.868 1.208 0.577 0.833 0.500 CB 1.167 7 residues pruned to eliminate duplicates Z: 59 77.244 2.440 0.902 0.742 0.966 0.741 CB 1.823 83 residues pruned to eliminate duplicates Z: 16 23.317 2.335 0.538 0.628 0.933 0.733 CB 1.592 16 residues pruned to eliminate duplicates Z: 12 27.602 2.239 0.782 0.723 1.000 0.818 CA 1.706 Z: 67 67.820 2.400 0.743 0.728 0.939 0.818 CB 1.730 67 residues pruned to eliminate duplicates Z: 13 32.570 2.227 0.886 0.838 1.000 0.833 CB 1.673 12 residues pruned to eliminate duplicates Z: 6 2.988 1.444 0.680 0.324 0.600 0.600 C 1.115 6 residues pruned to eliminate duplicates Z: 13 7.011 1.795 0.313 0.296 0.833 0.583 CB 1.294 13 residues pruned to eliminate duplicates Z: 14 8.312 1.545 0.453 0.399 0.846 0.615 C 1.350 14 residues pruned to eliminate duplicates Z: 6 2.720 1.531 -0.190 0.553 1.000 0.600 CA 0.931 4 residues pruned to eliminate duplicates Z: 10 23.992 2.331 0.858 0.804 0.889 0.778 CA 1.594 10 residues pruned to eliminate duplicates Z: 16 29.460 2.197 0.541 0.908 1.000 0.800 CB 1.596 16 residues pruned to eliminate duplicates Z: 47 65.800 2.433 0.833 0.728 0.978 0.739 CB 1.811 47 residues pruned to eliminate duplicates Z: 8 19.484 1.971 0.875 0.856 0.857 0.714 CA 1.714 8 residues pruned to eliminate duplicates Z: 7 10.310 1.987 0.615 0.665 0.833 0.833 CA 1.350 Z: 7 11.242 1.842 0.265 0.811 1.000 0.833 CA 1.503 7 residues pruned to eliminate duplicates Z: 7 2.022 1.397 -0.098 0.376 0.833 0.500 CB 0.897 Z: 10 6.963 1.925 0.101 0.830 0.667 0.444 CB 1.236 10 residues pruned to eliminate duplicates Z: 13 33.868 2.168 1.057 0.833 1.000 0.833 CB 1.645 10 residues pruned to eliminate duplicates Z: 11 10.684 1.915 0.320 0.442 0.900 0.700 CB 1.578 11 residues pruned to eliminate duplicates Z: 28 27.714 2.409 0.397 0.569 0.889 0.667 CB 1.668 28 residues pruned to eliminate duplicates Z: 9 7.897 2.118 0.236 0.447 0.750 0.500 CA 1.502 10 residues pruned to eliminate duplicates Z: 16 32.989 2.145 1.213 0.597 1.000 0.733 CB 1.636 16 residues pruned to eliminate duplicates Z: 22 41.268 2.220 0.865 0.876 1.000 0.810 CB 1.581 11 residues pruned to eliminate duplicates Z: 6 4.473 1.692 0.450 0.488 0.800 0.800 CB 1.031 Z: 33 59.030 2.388 0.956 0.823 0.969 0.781 CB 1.743 59 residues pruned to eliminate duplicates Z: 8 5.723 1.539 0.527 0.466 0.857 0.286 CB 1.112 Z: 71 67.023 2.351 0.841 0.656 0.957 0.757 CB 1.672 71 residues pruned to eliminate duplicates Z: 17 20.037 2.198 0.489 0.631 0.875 0.812 CB 1.547 17 residues pruned to eliminate duplicates Z: 20 37.899 2.381 0.813 0.609 1.000 0.737 CA 1.817 20 residues pruned to eliminate duplicates Z: 18 28.381 2.261 0.893 0.460 0.882 0.824 CA 1.898 18 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 18 21.144 1.998 0.435 0.852 1.000 0.824 CB 1.323 18 residues pruned to eliminate duplicates Z: 36 33.829 2.247 0.674 0.616 0.886 0.600 CB 1.538 36 residues pruned to eliminate duplicates Z: 37 37.972 2.212 0.773 0.646 0.917 0.750 CB 1.537 37 residues pruned to eliminate duplicates Z: 22 27.020 2.168 0.757 0.685 0.857 0.714 CB 1.524 22 residues pruned to eliminate duplicates Z: 35 38.649 2.281 0.811 0.621 0.882 0.647 CB 1.623 35 residues pruned to eliminate duplicates Z: 36 36.408 2.252 0.644 0.606 0.914 0.657 CB 1.644 36 residues pruned to eliminate duplicates Z: 20 33.983 2.273 0.983 0.717 0.895 0.789 CB 1.589 20 residues pruned to eliminate duplicates Z: 36 40.995 2.273 0.849 0.630 0.914 0.686 CB 1.596 36 residues pruned to eliminate duplicates Z: 16 33.815 2.178 0.771 0.925 1.000 0.667 CB 1.589 16 residues pruned to eliminate duplicates Z: 22 31.275 2.176 0.893 0.700 0.905 0.810 CB 1.526 22 residues pruned to eliminate duplicates Z: 22 31.716 2.141 0.921 0.690 0.952 0.714 CB 1.485 22 residues pruned to eliminate duplicates Z: 36 35.948 2.249 0.886 0.604 0.829 0.571 CB 1.567 36 residues pruned to eliminate duplicates Z: 22 33.803 2.152 0.972 0.765 0.952 0.714 CB 1.443 22 residues pruned to eliminate duplicates Z: 21 33.055 2.246 0.892 0.727 0.900 0.650 CB 1.576 21 residues pruned to eliminate duplicates Z: 20 31.510 2.278 0.863 0.714 0.895 0.737 CB 1.568 20 residues pruned to eliminate duplicates Z: 21 32.931 2.203 0.957 0.688 0.900 0.750 CB 1.597 21 residues pruned to eliminate duplicates Z: 22 33.403 2.149 1.022 0.740 0.905 0.667 CB 1.495 22 residues pruned to eliminate duplicates Z: 36 40.083 2.252 0.873 0.643 0.886 0.629 CB 1.587 36 residues pruned to eliminate duplicates Z: 21 33.599 2.248 0.832 0.725 0.950 0.650 CB 1.568 21 residues pruned to eliminate duplicates Z: 37 35.960 2.239 0.761 0.613 0.861 0.639 CB 1.586 37 residues pruned to eliminate duplicates Z: 36 36.182 2.236 0.776 0.631 0.857 0.600 CB 1.588 36 residues pruned to eliminate duplicates Z: 14 16.544 2.108 1.056 0.350 0.846 0.615 CB 1.472 14 residues pruned to eliminate duplicates Z: 16 25.128 2.377 0.620 0.587 0.933 0.600 CB 1.662 16 residues pruned to eliminate duplicates Z: 6 3.907 1.418 0.412 0.479 1.000 0.200 N 0.891 6 residues pruned to eliminate duplicates Z: 16 29.357 2.405 0.782 0.639 0.933 0.800 CB 1.663 22 residues pruned to eliminate duplicates Z: 6 4.274 1.896 0.272 0.285 1.000 0.400 CA 1.010 6 residues pruned to eliminate duplicates Z: 17 22.069 2.259 0.672 0.620 0.875 0.625 CB 1.491 17 residues pruned to eliminate duplicates Z: 16 26.779 2.363 0.686 0.629 0.933 0.667 CB 1.647 16 residues pruned to eliminate duplicates Z: 17 25.340 2.265 0.666 0.614 0.938 0.688 CB 1.608 17 residues pruned to eliminate duplicates Z: 17 24.434 2.295 0.816 0.579 0.875 0.750 CB 1.552 17 residues pruned to eliminate duplicates Z: 16 29.216 2.279 0.517 0.805 1.000 0.800 CB 1.672 17 residues pruned to eliminate duplicates Z: 16 33.368 2.241 0.556 0.910 1.000 0.667 CB 1.752 16 residues pruned to eliminate duplicates Z: 15 24.690 2.293 0.411 0.823 0.929 0.714 CB 1.660 15 residues pruned to eliminate duplicates Z: 19 38.494 2.357 0.872 0.707 1.000 0.833 CB 1.704 19 residues pruned to eliminate duplicates Z: 16 31.243 2.200 0.756 0.909 0.933 0.867 CB 1.588 16 residues pruned to eliminate duplicates Z: 29 32.739 2.184 0.689 0.607 0.893 0.643 CB 1.697 29 residues pruned to eliminate duplicates Z: 18 30.372 2.086 0.761 0.856 1.000 0.824 CB 1.478 18 residues pruned to eliminate duplicates Z: 22 29.253 2.177 0.717 0.625 0.952 0.619 CB 1.594 22 residues pruned to eliminate duplicates Z: 21 32.871 2.273 0.726 0.750 0.900 0.550 CB 1.665 21 residues pruned to eliminate duplicates Z: 19 36.084 2.376 0.897 0.710 0.944 0.722 CB 1.652 19 residues pruned to eliminate duplicates Z: 31 22.840 1.956 0.743 0.578 0.867 0.567 CB 1.309 31 residues pruned to eliminate duplicates Z: 17 30.909 2.114 0.685 0.923 1.000 0.625 CB 1.524 17 residues pruned to eliminate duplicates Z: 22 35.126 2.228 0.945 0.728 0.905 0.667 CB 1.592 22 residues pruned to eliminate duplicates Z: 20 34.759 2.327 0.909 0.711 0.895 0.737 CB 1.657 20 residues pruned to eliminate duplicates Z: 23 31.273 2.188 0.945 0.653 0.909 0.727 CB 1.495 23 residues pruned to eliminate duplicates Z: 22 28.771 2.212 0.783 0.653 0.857 0.762 CB 1.611 22 residues pruned to eliminate duplicates Z: 22 32.324 2.221 0.814 0.716 0.905 0.619 CB 1.591 22 residues pruned to eliminate duplicates Z: 22 30.486 2.192 0.694 0.690 0.952 0.714 CB 1.580 22 residues pruned to eliminate duplicates Z: 100 80.080 2.402 0.827 0.625 0.929 0.616 CB 1.755 99 residues pruned to eliminate duplicates Z: 6 3.943 1.780 0.202 0.424 0.800 0.800 CA 1.116 6 residues pruned to eliminate duplicates Z: 19 20.414 2.224 0.703 0.515 0.833 0.667 CB 1.502 19 residues pruned to eliminate duplicates Z: 19 23.462 2.196 0.675 0.587 0.944 0.667 CB 1.464 19 residues pruned to eliminate duplicates Z: 16 26.566 2.311 0.738 0.661 0.933 0.733 CB 1.576 16 residues pruned to eliminate duplicates Z: 18 27.383 2.318 0.773 0.604 0.941 0.882 CB 1.555 18 residues pruned to eliminate duplicates Z: 18 25.389 2.295 0.674 0.585 0.941 0.765 CB 1.569 18 residues pruned to eliminate duplicates Z: 17 21.635 2.301 0.720 0.592 0.875 0.562 CB 1.430 17 residues pruned to eliminate duplicates Z: 23 19.609 1.984 0.706 0.429 0.909 0.636 CB 1.462 23 residues pruned to eliminate duplicates Z: 18 30.014 2.273 0.932 0.592 1.000 0.706 CB 1.518 18 residues pruned to eliminate duplicates Z: 19 24.725 2.216 0.646 0.537 1.000 0.611 CB 1.540 19 residues pruned to eliminate duplicates Z: 19 25.541 2.239 0.801 0.563 0.944 0.667 CB 1.487 19 residues pruned to eliminate duplicates Z: 20 17.459 2.070 0.656 0.428 0.947 0.632 CB 1.329 20 residues pruned to eliminate duplicates Z: 87 64.278 2.383 0.787 0.536 0.930 0.628 CB 1.689 87 residues pruned to eliminate duplicates Z: 18 19.190 2.258 0.582 0.498 0.941 0.588 CB 1.388 18 residues pruned to eliminate duplicates Z: 78 72.844 2.469 0.760 0.633 0.948 0.649 CB 1.778 78 residues pruned to eliminate duplicates Z: 78 72.074 2.475 0.735 0.639 0.961 0.766 CB 1.748 78 residues pruned to eliminate duplicates Z: 92 74.540 2.469 0.800 0.576 0.934 0.604 CB 1.750 92 residues pruned to eliminate duplicates Z: 40 64.769 2.583 0.773 0.743 0.923 0.769 CB 1.973 40 residues pruned to eliminate duplicates Z: 25 53.665 2.494 0.876 0.853 0.917 0.833 CB 1.888 25 residues pruned to eliminate duplicates Z: 40 69.626 2.574 0.740 0.775 1.000 0.821 CB 1.954 40 residues pruned to eliminate duplicates Z: 73 79.685 2.545 0.849 0.642 0.931 0.694 CB 1.878 73 residues pruned to eliminate duplicates Z: 40 67.329 2.574 0.718 0.765 1.000 0.846 CB 1.927 40 residues pruned to eliminate duplicates Z: 74 71.636 2.506 0.814 0.620 0.904 0.699 CB 1.822 74 residues pruned to eliminate duplicates Z: 73 80.399 2.542 0.835 0.651 0.944 0.722 CB 1.869 73 residues pruned to eliminate duplicates Z: 23 51.542 2.472 1.053 0.846 0.909 0.818 CB 1.769 23 residues pruned to eliminate duplicates Z: 60 78.083 2.545 0.876 0.709 0.932 0.746 CB 1.888 60 residues pruned to eliminate duplicates Z: 73 79.830 2.542 0.873 0.643 0.931 0.681 CB 1.859 73 residues pruned to eliminate duplicates Z: 87 65.114 2.394 0.793 0.563 0.919 0.721 CB 1.676 87 residues pruned to eliminate duplicates Z: 53 47.444 2.470 0.696 0.478 0.885 0.712 CB 1.816 53 residues pruned to eliminate duplicates Z: 73 76.169 2.526 0.890 0.628 0.931 0.694 CB 1.792 73 residues pruned to eliminate duplicates Z: 89 62.159 2.362 0.783 0.559 0.920 0.670 CB 1.615 89 residues pruned to eliminate duplicates Z: 72 61.963 2.471 0.723 0.528 0.930 0.620 CB 1.807 72 residues pruned to eliminate duplicates Z: 54 41.718 2.379 0.550 0.492 0.887 0.679 CB 1.767 54 residues pruned to eliminate duplicates Z: 52 47.820 2.359 0.693 0.560 0.922 0.745 CB 1.717 52 residues pruned to eliminate duplicates Z: 76 54.382 2.425 0.661 0.511 0.853 0.613 CB 1.807 76 residues pruned to eliminate duplicates Z: 41 44.362 2.384 0.630 0.593 0.925 0.675 CB 1.786 41 residues pruned to eliminate duplicates Z: 65 66.299 2.362 0.806 0.661 0.922 0.703 CB 1.815 65 residues pruned to eliminate duplicates Z: 89 65.739 2.462 0.670 0.542 0.955 0.693 CB 1.714 89 residues pruned to eliminate duplicates Z: 63 67.832 2.379 0.859 0.677 0.935 0.710 CB 1.770 63 residues pruned to eliminate duplicates Z: 59 73.804 2.409 0.970 0.743 0.948 0.672 CB 1.733 59 residues pruned to eliminate duplicates Z: 72 62.711 2.479 0.731 0.540 0.944 0.732 CB 1.767 72 residues pruned to eliminate duplicates Z: 46 43.906 2.304 0.669 0.536 0.911 0.689 CB 1.802 46 residues pruned to eliminate duplicates Z: 38 51.054 2.460 0.763 0.622 0.946 0.757 CB 1.824 38 residues pruned to eliminate duplicates Z: 60 71.869 2.428 0.827 0.722 0.949 0.695 CB 1.818 60 residues pruned to eliminate duplicates Z: 27 35.473 2.339 0.777 0.594 0.885 0.577 CB 1.729 27 residues pruned to eliminate duplicates Z: 65 70.341 2.358 0.914 0.676 0.938 0.750 CB 1.768 65 residues pruned to eliminate duplicates Z: 32 32.191 2.257 0.714 0.564 0.871 0.548 CB 1.613 32 residues pruned to eliminate duplicates Z: 86 69.410 2.496 0.749 0.549 0.918 0.694 CB 1.791 86 residues pruned to eliminate duplicates Z: 35 53.875 2.535 0.846 0.621 0.941 0.735 CB 1.872 35 residues pruned to eliminate duplicates Z: 112 88.914 2.488 0.836 0.605 0.919 0.703 CB 1.819 112 residues pruned to eliminate duplicates Z: 29 34.468 2.317 0.848 0.566 0.821 0.500 CB 1.738 29 residues pruned to eliminate duplicates Z: 60 71.767 2.429 0.820 0.728 0.949 0.712 CB 1.814 60 residues pruned to eliminate duplicates Z: 60 76.382 2.426 0.920 0.733 0.966 0.763 CB 1.791 60 residues pruned to eliminate duplicates Z: 108 87.559 2.504 0.795 0.610 0.944 0.664 CB 1.797 108 residues pruned to eliminate duplicates Z: 74 69.310 2.371 0.865 0.640 0.932 0.699 CB 1.728 74 residues pruned to eliminate duplicates Z: 41 45.904 2.441 0.751 0.553 0.950 0.650 CB 1.697 41 residues pruned to eliminate duplicates Z: 39 48.247 2.422 0.786 0.593 0.895 0.737 CB 1.851 39 residues pruned to eliminate duplicates Z: 61 71.066 2.410 0.886 0.709 0.950 0.767 CB 1.757 61 residues pruned to eliminate duplicates Z: 61 77.291 2.391 0.963 0.717 0.983 0.750 CB 1.777 61 residues pruned to eliminate duplicates Z: 59 73.811 2.443 0.803 0.735 0.983 0.741 CB 1.813 59 residues pruned to eliminate duplicates Z: 53 47.569 2.350 0.716 0.510 0.923 0.615 CB 1.755 53 residues pruned to eliminate duplicates Z: 38 41.090 2.228 0.888 0.494 0.946 0.459 CB 1.708 38 residues pruned to eliminate duplicates Z: 58 67.394 2.366 0.888 0.711 0.947 0.649 CB 1.742 58 residues pruned to eliminate duplicates Z: 9 6.909 1.763 0.632 0.367 0.750 0.250 C 1.306 9 residues pruned to eliminate duplicates Z: 56 74.859 2.424 0.913 0.750 0.964 0.764 CB 1.807 56 residues pruned to eliminate duplicates Z: 116 92.357 2.470 0.750 0.653 0.957 0.635 CB 1.808 75 residues pruned to eliminate duplicates Z: 13 13.314 2.117 0.254 0.626 0.833 0.333 CA 1.542 13 residues pruned to eliminate duplicates Z: 46 62.493 2.582 0.840 0.636 0.933 0.600 CB 1.850 46 residues pruned to eliminate duplicates Z: 60 78.911 2.522 0.951 0.709 0.932 0.424 CB 1.853 60 residues pruned to eliminate duplicates Z: 40 70.220 2.508 1.029 0.773 0.949 0.410 CB 1.828 40 residues pruned to eliminate duplicates Z: 73 76.688 2.516 0.913 0.636 0.917 0.625 CB 1.803 73 residues pruned to eliminate duplicates Z: 24 65.161 2.437 1.306 0.926 1.000 0.565 CB 1.695 24 residues pruned to eliminate duplicates Z: 39 77.597 2.591 1.053 0.740 1.000 0.632 CB 1.908 39 residues pruned to eliminate duplicates Z: 72 81.228 2.548 0.940 0.650 0.944 0.718 CB 1.798 72 residues pruned to eliminate duplicates Z: 60 86.713 2.567 0.944 0.725 0.983 0.729 CB 1.879 60 residues pruned to eliminate duplicates Z: 73 84.526 2.544 0.950 0.637 0.958 0.708 CB 1.843 73 residues pruned to eliminate duplicates Z: 6 3.473 2.154 -0.005 0.277 0.800 0.400 CB 1.166 6 residues pruned to eliminate duplicates Z: 71 74.789 2.525 0.805 0.653 0.957 0.800 CB 1.777 71 residues pruned to eliminate duplicates Z: 72 85.827 2.563 0.963 0.634 0.944 0.718 CB 1.892 72 residues pruned to eliminate duplicates Z: 36 50.699 2.465 0.834 0.604 0.971 0.686 CB 1.769 36 residues pruned to eliminate duplicates Z: 73 75.019 2.489 1.025 0.606 0.875 0.597 CB 1.812 73 residues pruned to eliminate duplicates Z: 73 80.955 2.509 0.952 0.611 0.944 0.736 CB 1.856 73 residues pruned to eliminate duplicates Z: 41 54.962 2.520 0.833 0.564 0.925 0.600 CB 1.911 41 residues pruned to eliminate duplicates Z: 74 84.074 2.528 0.908 0.629 0.986 0.658 CB 1.832 74 residues pruned to eliminate duplicates Z: 66 78.611 2.555 0.906 0.685 0.908 0.662 CB 1.860 66 residues pruned to eliminate duplicates Z: 59 80.085 2.565 0.928 0.729 0.931 0.655 CB 1.859 59 residues pruned to eliminate duplicates Z: 74 78.322 2.503 0.957 0.632 0.904 0.712 CB 1.829 74 residues pruned to eliminate duplicates Z: 62 83.507 2.522 0.970 0.722 0.967 0.738 CB 1.822 62 residues pruned to eliminate duplicates Z: 73 82.642 2.503 0.955 0.662 0.931 0.681 CB 1.840 73 residues pruned to eliminate duplicates Z: 73 89.188 2.545 1.011 0.651 0.944 0.653 CB 1.889 73 residues pruned to eliminate duplicates Z: 8 13.744 1.975 0.954 0.705 0.714 0.429 CB 1.563 8 residues pruned to eliminate duplicates Z: 72 83.779 2.561 0.915 0.653 0.944 0.718 CB 1.864 72 residues pruned to eliminate duplicates Z: 38 38.258 2.380 0.724 0.479 0.892 0.514 CB 1.756 38 residues pruned to eliminate duplicates Z: 53 56.086 2.438 0.821 0.512 0.942 0.635 CB 1.837 53 residues pruned to eliminate duplicates Z: 73 83.854 2.536 0.883 0.641 0.972 0.722 CB 1.866 73 residues pruned to eliminate duplicates Z: 72 82.879 2.569 0.889 0.637 0.958 0.690 CB 1.861 72 residues pruned to eliminate duplicates Z: 74 79.894 2.506 0.868 0.633 0.945 0.685 CB 1.865 74 residues pruned to eliminate duplicates Z: 59 79.123 2.582 0.924 0.711 0.897 0.741 CB 1.927 59 residues pruned to eliminate duplicates Z: 19 33.264 2.555 0.528 0.684 0.889 0.667 CB 1.909 19 residues pruned to eliminate duplicates Z: 23 31.814 2.374 0.573 0.588 0.909 0.636 CB 1.837 23 residues pruned to eliminate duplicates Z: 38 40.925 2.432 0.714 0.463 0.919 0.622 CB 1.824 38 residues pruned to eliminate duplicates Z: 73 79.277 2.526 0.855 0.640 0.944 0.750 CB 1.852 73 residues pruned to eliminate duplicates Z: 73 75.488 2.492 0.896 0.645 0.931 0.681 CB 1.766 73 residues pruned to eliminate duplicates Z: 73 83.422 2.539 0.865 0.641 0.972 0.750 CB 1.872 73 residues pruned to eliminate duplicates Z: 66 80.295 2.541 0.907 0.667 0.969 0.708 CB 1.817 66 residues pruned to eliminate duplicates Z: 38 52.078 2.577 0.783 0.573 0.892 0.568 CB 1.948 38 residues pruned to eliminate duplicates Z: 74 76.165 2.498 0.924 0.620 0.918 0.726 CB 1.805 74 residues pruned to eliminate duplicates Z: 73 71.806 2.501 0.712 0.640 0.944 0.736 CB 1.834 73 residues pruned to eliminate duplicates Z: 21 38.251 2.578 0.665 0.625 0.950 0.600 CB 1.864 21 residues pruned to eliminate duplicates Z: 73 79.442 2.549 0.891 0.628 0.931 0.708 CB 1.851 73 residues pruned to eliminate duplicates Z: 54 51.117 2.464 0.736 0.494 0.906 0.585 CB 1.822 54 residues pruned to eliminate duplicates Z: 73 83.849 2.544 0.902 0.653 0.944 0.819 CB 1.875 73 residues pruned to eliminate duplicates Z: 49 50.364 2.554 0.670 0.531 0.896 0.646 CB 1.846 49 residues pruned to eliminate duplicates Z: 54 51.330 2.446 0.706 0.497 0.943 0.774 CB 1.796 54 residues pruned to eliminate duplicates Z: 61 70.712 2.380 0.847 0.702 0.983 0.750 CB 1.757 61 residues pruned to eliminate duplicates Z: 61 73.859 2.388 0.882 0.698 0.983 0.717 CB 1.801 61 residues pruned to eliminate duplicates Z: 61 73.838 2.394 0.917 0.681 0.967 0.667 CB 1.820 61 residues pruned to eliminate duplicates Z: 62 66.527 2.375 0.776 0.706 0.951 0.754 CB 1.762 62 residues pruned to eliminate duplicates Z: 66 66.922 2.343 0.840 0.647 0.938 0.738 CB 1.788 66 residues pruned to eliminate duplicates Z: 65 64.361 2.357 0.760 0.659 0.938 0.719 CB 1.784 65 residues pruned to eliminate duplicates Z: 61 73.673 2.415 0.798 0.725 0.983 0.783 CB 1.818 61 residues pruned to eliminate duplicates Z: 12 25.408 2.214 0.716 0.721 1.000 0.909 CA 1.653 Z: 7 10.462 1.971 0.608 0.398 1.000 0.667 CB 1.500 Z: 8 7.051 1.919 0.607 0.379 0.714 0.571 CA 1.376 7 residues pruned to eliminate duplicates Z: 6 8.411 2.038 0.653 0.411 0.800 0.600 CA 1.532 5 residues pruned to eliminate duplicates 200 residues left after pruning, divided into chains as follows: A: 37 B: 52 C: 90 D: 12 E: 9 CC for partial structure against native data = 29.85 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.486, Connect. = 0.729 for dens.mod. cycle 1 = 0.300, Contrast = 0.559, Connect. = 0.759 for dens.mod. cycle 2 = 0.300, Contrast = 0.689, Connect. = 0.799 for dens.mod. cycle 3 = 0.300, Contrast = 0.703, Connect. = 0.803 for dens.mod. cycle 4 = 0.300, Contrast = 0.722, Connect. = 0.807 for dens.mod. cycle 5 = 0.300, Contrast = 0.731, Connect. = 0.810 for dens.mod. cycle 6 = 0.300, Contrast = 0.741, Connect. = 0.812 for dens.mod. cycle 7 = 0.300, Contrast = 0.746, Connect. = 0.814 for dens.mod. cycle 8 = 0.300, Contrast = 0.752, Connect. = 0.815 for dens.mod. cycle 9 = 0.300, Contrast = 0.755, Connect. = 0.816 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 3.46 - 2.74 - 2.40 - 2.18 - 2.02 - 1.90 - 1.81 - 1.73 - 1.66 - 1.61 0.692 0.740 0.742 0.750 0.716 0.714 0.727 0.704 0.644 0.606 0.881 0.908 0.901 0.893 0.853 0.853 0.848 0.815 0.732 0.683 N 3868 3889 3823 3913 4018 3946 3699 3967 4091 3367 Estimated mean FOM = 0.705 Pseudo-free CC = 72.01 % Best trace (cycle 1 with CC 32.62%) was saved as ./2okf-1.6-parrot-noncs/2okf-1.6-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.3 - Setup, data input and phasing 3.3 - FFTs and peak-searches 12.1 - Sphere of influence 0.4 - Rest of density modification 0.0 - Alpha-helix search 939.3 - Tripeptide search 5832.0 - Chain tracing 0.0 - NCS analysis 13.1 - B-value refinement for trace 0.1 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 01:17:10 Total time: 6800.68 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 113.86 Used memory is bytes: 15802904