++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 16:32:32 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: ./1zbt-2.4-parrot-hancs/1zbt-2.4-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./1zbt-2.4-parrot-hancs/1zbt-2.4-parrot-hancs.ins Phases from ./1zbt-2.4-parrot-hancs/1zbt-2.4-parrot-hancs.phi Native data from ./1zbt-2.4-parrot-hancs/1zbt-2.4-parrot-hancs.hkl Listing output to ./1zbt-2.4-parrot-hancs/1zbt-2.4-parrot-hancs.lst Phases output to ./1zbt-2.4-parrot-hancs/1zbt-2.4-parrot-hancs.phs Poly-Ala trace output to ./1zbt-2.4-parrot-hancs/1zbt-2.4-parrot-hancs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 43 21 2 Allowed origin shift code: 9 19894 Reflections read from file ./1zbt-2.4-parrot-hancs/1zbt-2.4-parrot-hancs.phi 19894 Reflections read from file ./1zbt-2.4-parrot-hancs/1zbt-2.4-parrot-hancs.hkl 19894 Unique data, highest resolution = 2.403 Angstroms Anisotropic scaling: intensities multiplied by 0.001311h^2 +0.001311k^2 -0.000223l^2 +0.000000kl +0.000000hl +0.000000hk 19 Reflections with d > 2.603 and 0 in range 2.603 > d > 2.403 added Density sharpening factor set to 0.15 Fourier grid = 128 x 128 x 30 0.000 <= z <= 0.125 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.743 = 0.299, Contrast = 0.559, Connect. = 0.719 for dens.mod. cycle 1 = 0.299, Contrast = 0.671, Connect. = 0.743 for dens.mod. cycle 2 = 0.299, Contrast = 0.805, Connect. = 0.765 for dens.mod. cycle 3 = 0.299, Contrast = 0.835, Connect. = 0.771 for dens.mod. cycle 4 = 0.299, Contrast = 0.848, Connect. = 0.775 for dens.mod. cycle 5 = 0.299, Contrast = 0.855, Connect. = 0.777 for dens.mod. cycle 6 = 0.299, Contrast = 0.860, Connect. = 0.779 for dens.mod. cycle 7 = 0.299, Contrast = 0.863, Connect. = 0.780 for dens.mod. cycle 8 = 0.299, Contrast = 0.864, Connect. = 0.781 for dens.mod. cycle 9 = 0.299, Contrast = 0.865, Connect. = 0.781 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1329 peaks > 0.5 sigma used to seed fragment search Space for about 530 unique residues taking solvent into account 316 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 34.103 2.009 0.762 0.896 0.947 0.842 CB 1.671 B: 20 37.223 2.025 0.852 0.915 1.000 0.895 CB 1.608 20 residues pruned to eliminate duplicates C: 24 26.358 1.970 0.991 0.407 1.000 0.609 CB 1.545 D: 38 45.615 2.087 1.124 0.692 0.919 0.676 CB 1.544 26 residues pruned to eliminate duplicates E: 18 37.008 2.077 0.946 0.897 1.000 0.824 CB 1.589 18 residues pruned to eliminate duplicates F: 22 43.751 2.043 1.248 0.894 0.952 0.667 CB 1.566 G: 27 37.876 1.925 0.821 0.905 0.962 0.846 CB 1.568 22 residues pruned to eliminate duplicates H: 24 40.137 2.013 1.083 0.902 0.913 0.870 CB 1.559 28 residues pruned to eliminate duplicates I: 24 19.725 1.968 0.932 0.362 0.826 0.478 CB 1.519 24 residues pruned to eliminate duplicates J: 50 40.158 2.074 0.713 0.594 0.959 0.653 CB 1.538 K: 26 46.050 1.991 1.243 0.921 1.000 0.920 CB 1.451 21 residues pruned to eliminate duplicates L: 14 25.087 2.208 0.987 0.455 0.923 0.692 CB 1.799 14 residues pruned to eliminate duplicates M: 21 22.107 2.018 0.768 0.588 0.850 0.550 CB 1.498 21 residues pruned to eliminate duplicates N: 29 43.361 1.914 1.138 0.916 0.964 0.821 CB 1.466 28 residues pruned to eliminate duplicates O: 23 36.439 2.005 1.114 0.941 1.000 0.773 CB 1.272 P: 23 32.966 1.857 0.685 0.864 1.000 0.818 CB 1.646 23 residues pruned to eliminate duplicates Q: 28 24.699 2.053 0.828 0.474 0.889 0.519 CB 1.463 21 residues pruned to eliminate duplicates R: 25 26.851 1.998 0.707 0.535 0.958 0.625 CB 1.619 25 residues pruned to eliminate duplicates S: 10 8.893 1.863 0.894 0.585 0.778 0.667 CB 0.995 T: 38 43.866 2.031 0.888 0.711 0.973 0.757 CB 1.596 27 residues pruned to eliminate duplicates U: 25 41.506 2.015 0.901 0.916 0.958 0.917 CB 1.630 25 residues pruned to eliminate duplicates V: 9 16.742 1.927 0.911 0.632 0.875 0.625 O 1.623 W: 34 36.336 2.029 0.798 0.612 0.970 0.788 CB 1.608 24 residues pruned to eliminate duplicates X: 13 22.183 1.942 0.785 0.826 1.000 0.500 CB 1.393 13 residues pruned to eliminate duplicates Y: 30 39.040 1.882 1.126 0.903 0.931 0.828 CB 1.387 29 residues pruned to eliminate duplicates Z: 11 12.753 1.721 0.877 0.686 0.900 0.700 CA 1.170 11 residues pruned to eliminate duplicates Z: 11 15.478 1.770 0.756 0.789 0.900 0.600 O 1.358 11 residues pruned to eliminate duplicates Z: 19 26.721 1.910 0.657 0.867 1.000 0.833 CB 1.456 19 residues pruned to eliminate duplicates Z: 14 15.929 1.769 0.781 0.811 0.846 0.538 N 1.264 14 residues pruned to eliminate duplicates Z: 17 10.232 1.701 0.424 0.493 0.812 0.562 CB 1.308 17 residues pruned to eliminate duplicates Z: 23 41.018 2.016 1.178 0.905 0.864 0.727 CB 1.642 23 residues pruned to eliminate duplicates Z: 11 20.368 1.806 0.935 0.830 1.000 0.800 N 1.386 11 residues pruned to eliminate duplicates Z: 6 6.456 1.691 0.561 0.787 0.800 0.800 CA 1.062 6 residues pruned to eliminate duplicates Z: 20 37.207 2.017 1.084 0.878 1.000 0.684 CB 1.473 20 residues pruned to eliminate duplicates Z: 18 28.029 1.932 0.734 0.887 0.941 0.765 CB 1.555 18 residues pruned to eliminate duplicates Z: 26 18.841 2.090 0.485 0.408 0.800 0.560 CB 1.671 26 residues pruned to eliminate duplicates Z: 36 28.804 2.091 1.034 0.446 0.886 0.486 CB 1.366 36 residues pruned to eliminate duplicates Z: 13 14.356 1.754 0.759 0.593 1.000 0.667 CB 1.229 Z: 27 34.784 1.936 0.694 0.911 0.962 0.923 CB 1.533 27 residues pruned to eliminate duplicates Z: 26 46.409 1.960 1.194 0.927 1.000 0.800 CB 1.512 26 residues pruned to eliminate duplicates Z: 24 31.793 1.876 0.769 0.871 0.957 0.826 CA 1.524 24 residues pruned to eliminate duplicates Z: 10 11.272 1.760 0.710 0.560 0.889 0.444 O 1.326 Z: 7 7.444 1.731 1.030 0.424 0.833 0.667 N 1.123 Z: 23 37.202 1.880 0.946 0.883 1.000 0.909 CB 1.568 23 residues pruned to eliminate duplicates Z: 63 35.318 1.926 0.738 0.550 0.919 0.645 CB 1.388 63 residues pruned to eliminate duplicates Z: 23 36.276 2.009 1.099 0.942 1.000 0.727 CB 1.272 23 residues pruned to eliminate duplicates Z: 25 42.684 1.965 1.039 0.889 1.000 0.708 CB 1.566 25 residues pruned to eliminate duplicates Z: 19 35.319 2.045 0.842 0.905 1.000 0.722 CB 1.573 19 residues pruned to eliminate duplicates Z: 28 34.919 1.911 0.931 0.888 0.926 0.815 CB 1.417 28 residues pruned to eliminate duplicates Z: 11 22.097 1.811 1.148 0.757 1.000 0.600 CB 1.428 11 residues pruned to eliminate duplicates Z: 35 23.702 1.936 0.643 0.493 0.853 0.588 CB 1.510 35 residues pruned to eliminate duplicates Z: 23 37.078 2.018 0.968 0.890 0.864 0.818 CB 1.658 23 residues pruned to eliminate duplicates Z: 34 34.834 2.053 0.804 0.646 0.939 0.818 CB 1.521 34 residues pruned to eliminate duplicates Z: 11 12.419 1.920 0.556 0.612 0.900 0.700 CB 1.313 11 residues pruned to eliminate duplicates Z: 19 37.532 2.008 0.915 0.893 1.000 0.833 CB 1.652 19 residues pruned to eliminate duplicates Z: 10 9.781 1.813 0.756 0.423 0.778 0.556 CB 1.427 10 residues pruned to eliminate duplicates Z: 23 36.154 1.985 1.195 0.948 0.955 0.909 CB 1.280 22 residues pruned to eliminate duplicates Z: 11 4.841 1.672 0.827 0.425 0.600 0.400 CB 0.903 Z: 19 32.591 2.064 0.717 0.894 0.944 0.944 CB 1.646 19 residues pruned to eliminate duplicates Z: 30 40.962 1.900 1.093 0.884 0.966 0.793 CB 1.432 30 residues pruned to eliminate duplicates Z: 13 25.237 1.950 1.062 0.764 1.000 0.667 CB 1.434 13 residues pruned to eliminate duplicates Z: 51 32.825 1.991 0.708 0.470 0.940 0.500 CB 1.497 51 residues pruned to eliminate duplicates Z: 26 23.685 1.991 0.582 0.493 0.920 0.680 CB 1.646 26 residues pruned to eliminate duplicates Z: 11 7.000 1.872 0.408 0.331 0.800 0.300 CB 1.263 11 residues pruned to eliminate duplicates Z: 23 38.350 2.010 1.143 0.896 0.864 0.591 CB 1.574 23 residues pruned to eliminate duplicates Z: 30 37.795 2.054 1.166 0.784 1.000 0.759 CB 1.228 23 residues pruned to eliminate duplicates Z: 22 37.370 2.072 1.067 0.907 0.952 0.857 CB 1.421 22 residues pruned to eliminate duplicates Z: 23 10.161 1.774 0.701 0.444 0.773 0.409 CB 0.984 8 residues pruned to eliminate duplicates Z: 23 36.232 2.024 1.114 0.940 0.955 0.773 CB 1.314 23 residues pruned to eliminate duplicates Z: 49 33.983 2.066 0.681 0.530 0.896 0.625 CB 1.531 49 residues pruned to eliminate duplicates Z: 7 4.996 1.766 0.760 0.433 0.500 0.500 CA 1.407 7 residues pruned to eliminate duplicates Z: 30 42.767 1.868 1.063 0.900 0.966 0.793 CB 1.524 30 residues pruned to eliminate duplicates Z: 70 37.356 1.977 0.805 0.483 0.913 0.638 CB 1.404 70 residues pruned to eliminate duplicates Z: 25 33.066 1.934 1.202 0.935 1.000 0.958 CB 1.104 24 residues pruned to eliminate duplicates Z: 48 38.772 2.096 0.708 0.594 0.957 0.702 CB 1.509 48 residues pruned to eliminate duplicates Z: 9 5.326 1.464 0.451 0.789 1.000 0.750 CB 0.688 9 residues pruned to eliminate duplicates Z: 7 5.903 1.795 0.881 0.366 0.667 0.333 CB 1.236 Z: 6 2.627 1.500 0.457 0.300 0.600 0.400 O 1.120 Z: 8 10.243 1.752 0.894 0.574 0.857 0.571 CA 1.267 Z: 19 24.921 2.123 0.995 0.486 0.944 0.667 CB 1.489 19 residues pruned to eliminate duplicates Z: 36 30.641 1.960 0.764 0.533 0.971 0.657 CB 1.493 36 residues pruned to eliminate duplicates Z: 19 21.316 1.735 0.910 0.779 0.889 0.778 CB 1.333 19 residues pruned to eliminate duplicates Z: 56 42.385 2.066 0.846 0.522 0.964 0.673 CB 1.522 56 residues pruned to eliminate duplicates Z: 28 36.772 1.896 0.914 0.861 0.926 0.852 CB 1.547 28 residues pruned to eliminate duplicates Z: 20 36.623 2.019 0.988 0.912 0.947 0.842 CB 1.565 20 residues pruned to eliminate duplicates Z: 8 8.321 1.576 0.469 0.734 1.000 0.571 N 1.101 Z: 8 5.827 1.573 0.493 0.399 0.857 0.571 N 1.217 8 residues pruned to eliminate duplicates Z: 25 38.719 1.979 1.038 0.926 0.917 0.792 CB 1.499 25 residues pruned to eliminate duplicates Z: 16 9.976 1.613 0.683 0.415 0.867 0.467 CB 1.196 16 residues pruned to eliminate duplicates Z: 20 18.083 1.933 0.427 0.585 0.895 0.684 CB 1.550 20 residues pruned to eliminate duplicates Z: 32 11.000 1.756 0.505 0.343 0.710 0.290 CB 1.250 32 residues pruned to eliminate duplicates Z: 25 29.828 1.880 0.837 0.901 1.000 0.875 CB 1.258 25 residues pruned to eliminate duplicates Z: 13 19.914 1.958 0.653 0.811 0.917 0.833 CB 1.478 13 residues pruned to eliminate duplicates Z: 9 5.318 1.948 0.261 0.302 0.750 0.500 CB 1.273 Z: 11 14.229 1.680 0.666 0.924 1.000 0.900 CB 1.129 Z: 13 12.302 1.842 0.835 0.762 0.750 0.667 CB 1.110 13 residues pruned to eliminate duplicates Z: 14 20.026 1.984 0.946 0.638 1.000 0.769 CB 1.264 10 residues pruned to eliminate duplicates Z: 22 37.543 2.065 1.233 0.944 1.000 0.857 CB 1.231 23 residues pruned to eliminate duplicates Z: 9 9.762 1.694 0.586 0.756 0.875 0.625 CB 1.169 9 residues pruned to eliminate duplicates Z: 7 8.476 1.907 0.414 0.736 1.000 0.667 CB 1.038 8 residues pruned to eliminate duplicates Z: 11 14.589 1.998 0.517 0.687 0.900 0.400 CB 1.425 11 residues pruned to eliminate duplicates Z: 28 40.338 1.914 1.083 0.919 0.926 0.852 CB 1.482 28 residues pruned to eliminate duplicates Z: 10 8.938 1.674 0.796 0.426 0.889 0.444 CB 1.204 10 residues pruned to eliminate duplicates Z: 13 13.727 1.596 0.445 0.843 1.000 0.833 CB 1.280 11 residues pruned to eliminate duplicates Z: 8 14.406 1.720 0.943 0.743 1.000 0.571 CB 1.311 7 residues pruned to eliminate duplicates Z: 23 37.741 2.016 0.935 0.948 1.000 0.909 CB 1.424 23 residues pruned to eliminate duplicates Z: 12 9.362 1.607 0.554 0.856 0.909 0.545 CB 0.917 12 residues pruned to eliminate duplicates Z: 15 9.317 1.720 0.614 0.407 0.714 0.500 CB 1.384 15 residues pruned to eliminate duplicates Z: 22 27.919 2.022 0.752 0.922 1.000 0.857 CB 1.209 22 residues pruned to eliminate duplicates Z: 20 43.216 1.991 1.116 0.918 1.000 0.842 CB 1.659 20 residues pruned to eliminate duplicates Z: 22 31.243 2.064 0.619 0.942 1.000 1.000 CB 1.415 22 residues pruned to eliminate duplicates Z: 22 36.768 2.014 0.781 0.917 0.952 0.857 CA 1.658 22 residues pruned to eliminate duplicates Z: 12 12.752 1.687 0.509 0.913 0.909 0.909 CB 1.176 12 residues pruned to eliminate duplicates Z: 39 25.850 1.927 0.746 0.515 0.868 0.579 CB 1.414 38 residues pruned to eliminate duplicates Z: 10 19.077 1.759 1.170 0.809 0.889 0.778 CA 1.432 10 residues pruned to eliminate duplicates Z: 11 16.827 2.000 0.583 0.755 0.900 0.500 CB 1.488 11 residues pruned to eliminate duplicates Z: 53 35.674 2.034 0.718 0.564 0.942 0.654 CB 1.412 53 residues pruned to eliminate duplicates Z: 23 40.824 1.958 1.409 0.951 1.000 0.818 CB 1.272 23 residues pruned to eliminate duplicates Z: 20 42.341 2.002 1.103 0.874 1.000 0.474 CB 1.680 21 residues pruned to eliminate duplicates Z: 35 33.697 1.981 0.774 0.552 0.971 0.765 CB 1.611 35 residues pruned to eliminate duplicates Z: 7 8.644 1.408 1.422 0.830 0.833 0.667 CB 0.933 7 residues pruned to eliminate duplicates Z: 21 23.930 2.075 1.153 0.410 0.850 0.600 CB 1.548 21 residues pruned to eliminate duplicates Z: 6 7.648 2.010 0.500 0.585 0.800 0.600 CB 1.307 6 residues pruned to eliminate duplicates Z: 29 38.430 1.866 0.842 0.914 1.000 0.929 CB 1.494 29 residues pruned to eliminate duplicates Z: 11 13.479 1.951 0.282 0.633 1.000 0.900 CB 1.504 11 residues pruned to eliminate duplicates Z: 24 28.176 1.967 0.738 0.920 0.957 0.957 CB 1.265 24 residues pruned to eliminate duplicates Z: 10 6.265 1.941 0.287 0.255 0.889 0.444 CB 1.246 10 residues pruned to eliminate duplicates Z: 7 5.320 1.952 0.235 0.374 0.667 0.667 O 1.546 7 residues pruned to eliminate duplicates Z: 20 35.887 2.031 0.930 0.849 1.000 0.789 CB 1.557 20 residues pruned to eliminate duplicates Z: 13 13.671 1.880 0.762 0.457 0.917 0.667 CB 1.358 13 residues pruned to eliminate duplicates Z: 19 37.511 2.007 1.250 0.929 0.944 0.556 CB 1.451 19 residues pruned to eliminate duplicates Z: 27 24.252 1.966 0.790 0.681 0.923 0.808 CB 1.240 27 residues pruned to eliminate duplicates Z: 7 4.289 1.549 0.517 0.528 0.833 0.667 CB 0.870 Z: 30 39.989 2.062 1.266 0.838 1.000 0.793 CB 1.188 30 residues pruned to eliminate duplicates Z: 15 8.896 1.791 0.559 0.402 0.786 0.643 CB 1.201 15 residues pruned to eliminate duplicates Z: 11 4.263 1.780 -0.028 0.193 0.900 0.700 CB 1.251 11 residues pruned to eliminate duplicates Z: 16 13.949 1.928 0.726 0.482 0.867 0.667 CB 1.271 16 residues pruned to eliminate duplicates Z: 9 11.139 1.528 0.607 0.826 0.875 0.750 CA 1.383 9 residues pruned to eliminate duplicates Z: 13 15.504 2.091 0.604 0.401 1.000 0.583 CB 1.480 13 residues pruned to eliminate duplicates Z: 22 11.741 1.770 0.681 0.373 0.810 0.429 CB 1.218 22 residues pruned to eliminate duplicates Z: 21 37.702 1.935 1.284 0.875 0.900 0.400 CB 1.542 21 residues pruned to eliminate duplicates Z: 23 41.217 1.979 1.457 0.946 1.000 0.773 CB 1.249 23 residues pruned to eliminate duplicates Z: 18 19.025 2.060 0.662 0.545 0.882 0.588 CB 1.462 18 residues pruned to eliminate duplicates Z: 7 3.175 1.607 0.810 0.400 0.667 0.333 O 0.743 Z: 45 31.435 1.981 0.699 0.547 0.909 0.659 CB 1.481 56 residues pruned to eliminate duplicates Z: 48 26.147 1.938 0.638 0.510 0.872 0.553 CB 1.364 48 residues pruned to eliminate duplicates Z: 27 22.905 1.952 0.680 0.556 0.885 0.615 CB 1.466 27 residues pruned to eliminate duplicates Z: 11 11.478 1.620 0.917 0.660 0.700 0.400 N 1.439 11 residues pruned to eliminate duplicates Z: 20 39.353 2.003 1.192 0.867 1.000 0.579 CB 1.504 20 residues pruned to eliminate duplicates Z: 14 12.511 1.578 0.681 0.852 0.923 0.769 CB 1.048 14 residues pruned to eliminate duplicates Z: 23 32.670 2.010 0.719 0.936 1.000 0.955 CB 1.405 23 residues pruned to eliminate duplicates Z: 27 21.529 2.031 0.649 0.468 0.885 0.577 CB 1.471 27 residues pruned to eliminate duplicates Z: 6 4.678 1.738 0.383 0.694 1.000 0.600 CB 0.729 6 residues pruned to eliminate duplicates Z: 18 7.188 1.789 0.448 0.321 0.706 0.529 CB 1.161 14 residues pruned to eliminate duplicates Z: 13 9.823 1.779 0.686 0.363 0.833 0.667 CB 1.314 13 residues pruned to eliminate duplicates Z: 12 4.743 1.594 0.199 0.319 1.000 0.273 CB 0.914 Z: 8 17.456 1.793 0.973 0.850 1.000 0.714 CA 1.382 8 residues pruned to eliminate duplicates Z: 62 42.041 2.016 0.829 0.545 0.918 0.656 CB 1.522 62 residues pruned to eliminate duplicates Z: 21 38.002 1.961 1.148 0.888 1.000 0.700 CB 1.454 21 residues pruned to eliminate duplicates Z: 14 5.078 1.686 0.646 0.438 0.692 0.385 CB 0.781 6 residues pruned to eliminate duplicates Z: 10 12.162 1.936 0.682 0.599 0.889 0.778 CB 1.275 10 residues pruned to eliminate duplicates Z: 64 36.480 1.978 0.857 0.466 0.889 0.540 CB 1.457 64 residues pruned to eliminate duplicates Z: 13 12.986 1.609 0.425 0.736 0.917 0.833 CB 1.443 13 residues pruned to eliminate duplicates Z: 35 34.433 1.974 1.059 0.726 0.971 0.588 CB 1.221 35 residues pruned to eliminate duplicates Z: 53 34.267 2.023 0.758 0.510 0.885 0.615 CB 1.495 53 residues pruned to eliminate duplicates Z: 63 35.829 2.000 0.660 0.520 0.903 0.629 CB 1.489 63 residues pruned to eliminate duplicates Z: 48 39.148 2.064 0.749 0.564 0.936 0.638 CB 1.589 48 residues pruned to eliminate duplicates Z: 12 7.758 1.718 0.359 0.270 1.000 0.545 CB 1.301 Z: 7 4.217 1.435 1.005 0.395 0.667 0.333 N 1.003 Z: 12 12.042 1.820 0.584 0.558 0.818 0.455 CB 1.455 12 residues pruned to eliminate duplicates Z: 36 38.042 1.989 1.154 0.773 0.914 0.743 CB 1.289 36 residues pruned to eliminate duplicates Z: 23 31.717 2.044 0.741 0.639 1.000 0.682 CB 1.669 23 residues pruned to eliminate duplicates Z: 31 37.965 2.026 1.263 0.796 0.967 0.700 CB 1.207 31 residues pruned to eliminate duplicates Z: 9 8.115 1.916 0.761 0.770 1.000 0.875 CB 0.670 Z: 7 7.510 1.588 0.617 0.785 1.000 0.833 CA 0.929 7 residues pruned to eliminate duplicates Z: 15 12.995 1.867 0.354 0.479 1.000 0.643 CB 1.403 15 residues pruned to eliminate duplicates Z: 28 40.142 1.913 1.110 0.902 0.963 0.778 CB 1.417 28 residues pruned to eliminate duplicates Z: 22 16.070 1.912 0.316 0.426 0.952 0.429 CB 1.580 22 residues pruned to eliminate duplicates Z: 34 35.606 1.982 1.104 0.755 0.970 0.636 CB 1.222 34 residues pruned to eliminate duplicates Z: 26 43.378 1.980 1.139 0.908 1.000 0.680 CB 1.455 26 residues pruned to eliminate duplicates Z: 28 26.726 1.830 0.956 0.763 0.778 0.667 CB 1.462 28 residues pruned to eliminate duplicates Z: 7 3.849 1.283 0.572 0.619 0.833 0.500 CB 0.835 Z: 33 39.821 2.044 0.902 0.729 0.906 0.812 CB 1.625 33 residues pruned to eliminate duplicates Z: 12 10.406 1.695 0.622 0.622 0.909 0.727 CB 1.119 12 residues pruned to eliminate duplicates Z: 11 8.554 1.825 1.172 0.379 0.600 0.300 N 1.293 11 residues pruned to eliminate duplicates Z: 13 13.872 1.627 0.588 0.913 0.917 0.750 CB 1.196 13 residues pruned to eliminate duplicates Z: 24 30.351 1.904 0.759 0.879 0.957 0.826 CB 1.433 24 residues pruned to eliminate duplicates Z: 6 4.514 1.750 0.292 0.737 1.000 0.800 CB 0.721 Z: 7 5.618 1.689 0.891 0.382 0.667 0.333 N 1.221 Z: 6 4.393 1.807 0.024 0.477 0.800 0.600 O 1.359 Z: 7 2.650 1.383 0.197 0.389 1.000 0.833 CB 0.735 Z: 9 7.399 1.694 1.285 0.488 0.875 0.625 CB 0.782 Z: 22 19.338 1.819 1.002 0.755 0.810 0.571 CB 1.141 22 residues pruned to eliminate duplicates Z: 6 11.345 1.764 0.660 0.705 1.000 0.600 CA 1.439 6 residues pruned to eliminate duplicates Z: 20 13.297 1.780 0.561 0.438 0.895 0.526 CB 1.309 18 residues pruned to eliminate duplicates Z: 9 14.861 1.918 0.983 0.701 0.875 0.500 CB 1.315 9 residues pruned to eliminate duplicates Z: 7 5.102 1.932 0.088 0.715 1.000 0.500 CB 0.816 Z: 9 7.385 1.374 0.360 0.843 1.000 0.875 CB 1.040 Z: 50 35.765 2.036 0.776 0.563 0.918 0.612 CB 1.447 50 residues pruned to eliminate duplicates Z: 8 5.767 1.787 0.255 0.623 0.714 0.571 CB 1.212 Z: 8 4.062 1.317 0.138 0.804 0.857 0.571 CB 0.917 8 residues pruned to eliminate duplicates Z: 8 10.975 1.484 0.742 0.799 1.000 0.714 N 1.235 8 residues pruned to eliminate duplicates Z: 8 7.590 1.718 0.517 0.396 0.857 0.571 N 1.433 3 residues pruned to eliminate duplicates Z: 22 25.036 1.981 0.552 0.923 1.000 1.000 CB 1.249 22 residues pruned to eliminate duplicates Z: 7 7.598 1.633 0.361 0.509 1.000 0.833 CB 1.383 7 residues pruned to eliminate duplicates Z: 10 9.494 1.714 0.388 0.866 0.778 0.667 CB 1.253 10 residues pruned to eliminate duplicates Z: 24 10.627 1.640 0.599 0.497 0.783 0.609 CB 1.082 24 residues pruned to eliminate duplicates Z: 29 45.973 1.933 1.124 0.922 0.964 0.821 CB 1.544 29 residues pruned to eliminate duplicates Z: 38 19.499 2.043 0.645 0.285 0.838 0.514 CB 1.449 38 residues pruned to eliminate duplicates Z: 7 2.833 1.819 0.572 0.752 1.000 0.833 CB 0.323 Z: 24 32.583 1.926 0.954 0.924 1.000 0.870 CB 1.268 24 residues pruned to eliminate duplicates Z: 12 10.274 1.871 0.242 0.533 0.909 0.636 CB 1.419 12 residues pruned to eliminate duplicates Z: 10 5.095 1.620 0.303 0.545 0.778 0.556 CB 0.989 7 residues pruned to eliminate duplicates Z: 16 16.428 1.924 0.911 0.497 0.800 0.467 CB 1.447 16 residues pruned to eliminate duplicates Z: 6 3.729 1.691 0.475 0.465 0.800 0.400 CB 0.866 Z: 11 7.845 1.637 0.779 0.415 0.800 0.500 CB 1.163 9 residues pruned to eliminate duplicates Z: 22 40.302 2.084 0.940 0.949 1.000 0.905 CB 1.501 22 residues pruned to eliminate duplicates Z: 8 5.115 1.672 0.353 0.366 1.000 0.429 CB 0.987 Z: 11 7.171 1.703 0.570 0.383 0.800 0.600 CB 1.200 11 residues pruned to eliminate duplicates Z: 11 11.016 1.691 0.255 0.793 1.000 0.600 CB 1.269 11 residues pruned to eliminate duplicates Z: 35 31.462 1.990 0.953 0.548 0.912 0.676 CB 1.453 35 residues pruned to eliminate duplicates Z: 26 43.863 2.009 1.096 0.901 0.920 0.840 CB 1.616 26 residues pruned to eliminate duplicates Z: 31 26.414 1.960 0.740 0.483 0.967 0.567 CB 1.489 31 residues pruned to eliminate duplicates Z: 11 7.041 1.606 0.582 0.516 0.800 0.600 N 1.078 8 residues pruned to eliminate duplicates Z: 9 4.770 1.448 0.509 0.334 0.750 0.500 CB 1.234 244 residues left after pruning, divided into chains as follows: A: 55 B: 76 C: 15 D: 35 E: 13 F: 9 G: 41 CC for partial structure against native data = 43.14 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.299, Contrast = 0.664, Connect. = 0.727 for dens.mod. cycle 1 = 0.299, Contrast = 0.767, Connect. = 0.756 for dens.mod. cycle 2 = 0.299, Contrast = 0.893, Connect. = 0.779 for dens.mod. cycle 3 = 0.298, Contrast = 0.908, Connect. = 0.779 for dens.mod. cycle 4 = 0.298, Contrast = 0.917, Connect. = 0.781 for dens.mod. cycle 5 = 0.298, Contrast = 0.917, Connect. = 0.782 for dens.mod. cycle 6 = 0.298, Contrast = 0.916, Connect. = 0.783 for dens.mod. cycle 7 = 0.298, Contrast = 0.912, Connect. = 0.783 for dens.mod. cycle 8 = 0.298, Contrast = 0.910, Connect. = 0.784 for dens.mod. cycle 9 = 0.298, Contrast = 0.905, Connect. = 0.784 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1342 peaks > 0.5 sigma used to seed fragment search Space for about 530 unique residues taking solvent into account 302 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 31.557 2.023 0.643 0.850 0.952 0.810 CB 1.611 B: 23 38.539 1.996 0.874 0.864 1.000 0.682 CB 1.610 22 residues pruned to eliminate duplicates C: 21 42.510 2.126 0.956 0.902 0.950 0.900 CB 1.716 23 residues pruned to eliminate duplicates D: 23 35.463 2.036 0.577 0.903 1.000 0.955 CA 1.678 23 residues pruned to eliminate duplicates E: 36 42.521 2.184 1.278 0.487 0.886 0.629 CB 1.652 F: 21 30.441 2.066 0.449 0.878 1.000 0.850 CB 1.650 21 residues pruned to eliminate duplicates G: 24 36.011 1.960 0.731 0.881 1.000 0.696 CB 1.602 24 residues pruned to eliminate duplicates H: 7 13.765 1.949 1.064 0.678 0.833 0.667 CB 1.424 I: 38 46.008 2.237 0.912 0.662 0.946 0.541 CB 1.610 40 residues pruned to eliminate duplicates J: 20 33.165 2.113 0.813 0.837 0.947 0.895 CB 1.569 20 residues pruned to eliminate duplicates K: 23 41.617 2.148 1.399 0.937 0.955 0.591 CB 1.255 L: 35 39.029 1.856 0.985 0.859 0.941 0.735 CB 1.420 M: 48 43.853 2.021 0.695 0.676 0.957 0.766 CB 1.658 31 residues pruned to eliminate duplicates N: 21 42.810 2.199 1.123 0.930 0.950 0.900 CB 1.510 21 residues pruned to eliminate duplicates O: 19 22.569 2.233 1.073 0.533 0.889 0.722 CB 1.252 19 residues pruned to eliminate duplicates P: 57 35.582 2.107 0.842 0.486 0.893 0.536 CB 1.392 57 residues pruned to eliminate duplicates Q: 21 40.652 2.077 1.027 0.854 0.950 0.750 CB 1.678 21 residues pruned to eliminate duplicates R: 29 43.071 1.966 0.875 0.927 0.964 0.893 CB 1.604 29 residues pruned to eliminate duplicates S: 50 39.930 2.166 0.788 0.525 0.939 0.612 CB 1.531 7 residues pruned to eliminate duplicates T: 8 9.667 1.750 0.582 0.681 0.857 0.571 CB 1.304 8 residues pruned to eliminate duplicates U: 23 33.694 2.007 0.832 0.825 0.864 0.727 CA 1.707 23 residues pruned to eliminate duplicates V: 22 39.448 2.198 0.976 0.919 0.952 0.857 CB 1.466 22 residues pruned to eliminate duplicates W: 25 24.632 2.112 0.865 0.432 0.958 0.667 CB 1.429 25 residues pruned to eliminate duplicates X: 61 43.970 2.109 0.715 0.564 0.967 0.750 CB 1.525 50 residues pruned to eliminate duplicates Y: 23 46.782 2.122 1.266 0.934 1.000 0.682 CB 1.446 23 residues pruned to eliminate duplicates Z: 21 39.086 2.097 0.708 0.886 1.000 0.850 CA 1.761 21 residues pruned to eliminate duplicates Z: 23 43.564 2.141 1.080 0.920 1.000 0.909 CB 1.468 23 residues pruned to eliminate duplicates Z: 28 18.818 1.974 0.618 0.409 0.852 0.556 CB 1.464 28 residues pruned to eliminate duplicates Z: 30 42.388 1.899 1.120 0.933 0.966 0.828 CB 1.413 31 residues pruned to eliminate duplicates Z: 24 39.219 2.067 1.075 0.944 1.000 0.870 CB 1.320 24 residues pruned to eliminate duplicates Z: 21 38.657 2.093 0.911 0.864 0.950 0.650 CB 1.668 21 residues pruned to eliminate duplicates Z: 28 46.187 2.013 1.036 0.917 0.963 0.889 CB 1.590 28 residues pruned to eliminate duplicates Z: 17 22.141 2.195 0.987 0.389 0.875 0.688 CB 1.632 17 residues pruned to eliminate duplicates Z: 21 39.416 2.127 0.916 0.876 0.900 0.650 CB 1.747 21 residues pruned to eliminate duplicates Z: 29 42.728 1.943 1.002 0.942 1.000 0.786 CB 1.439 29 residues pruned to eliminate duplicates Z: 23 39.749 2.160 0.811 0.916 1.000 0.773 CB 1.530 23 residues pruned to eliminate duplicates Z: 33 29.510 2.109 0.741 0.472 0.906 0.625 CB 1.613 33 residues pruned to eliminate duplicates Z: 31 41.804 1.888 0.910 0.916 1.000 0.733 CB 1.494 31 residues pruned to eliminate duplicates Z: 76 37.803 2.058 0.648 0.466 0.920 0.587 CB 1.449 76 residues pruned to eliminate duplicates Z: 6 8.853 1.817 0.451 0.722 1.000 0.800 N 1.229 6 residues pruned to eliminate duplicates Z: 43 36.648 2.159 0.716 0.574 0.952 0.738 CB 1.493 43 residues pruned to eliminate duplicates Z: 23 48.281 2.120 1.348 0.932 1.000 0.682 CB 1.444 23 residues pruned to eliminate duplicates Z: 13 21.145 1.781 1.048 0.712 0.917 0.833 CA 1.506 13 residues pruned to eliminate duplicates Z: 20 39.089 2.157 0.856 0.858 0.947 0.684 CA 1.741 20 residues pruned to eliminate duplicates Z: 15 14.117 1.937 0.843 0.586 0.857 0.714 CB 1.135 Z: 11 14.919 1.877 0.988 0.421 1.000 0.500 CB 1.373 Z: 28 48.135 1.994 1.196 0.941 0.963 0.852 CB 1.525 29 residues pruned to eliminate duplicates Z: 29 48.403 1.956 1.150 0.935 1.000 0.893 CB 1.515 29 residues pruned to eliminate duplicates Z: 35 41.969 1.882 0.850 0.830 0.971 0.853 CA 1.602 35 residues pruned to eliminate duplicates Z: 16 14.277 1.870 0.759 0.486 0.800 0.533 CB 1.421 16 residues pruned to eliminate duplicates Z: 12 5.174 1.672 0.579 0.353 0.818 0.455 CB 0.846 9 residues pruned to eliminate duplicates Z: 11 13.638 1.719 0.808 0.830 0.800 0.800 N 1.304 11 residues pruned to eliminate duplicates Z: 52 31.288 2.031 0.618 0.495 0.922 0.588 CB 1.453 52 residues pruned to eliminate duplicates Z: 8 7.622 1.821 0.635 0.525 0.714 0.429 CB 1.321 Z: 28 43.914 2.021 0.780 0.941 1.000 0.963 CB 1.631 28 residues pruned to eliminate duplicates Z: 28 44.975 1.991 1.021 0.937 1.000 0.926 CB 1.497 28 residues pruned to eliminate duplicates Z: 11 15.737 1.614 1.066 0.824 0.900 0.900 CA 1.252 11 residues pruned to eliminate duplicates Z: 29 47.836 1.987 1.030 0.907 1.000 0.821 CB 1.594 29 residues pruned to eliminate duplicates Z: 13 20.678 1.889 1.041 0.818 0.917 0.583 CB 1.281 14 residues pruned to eliminate duplicates Z: 29 45.776 1.925 1.047 0.942 1.000 0.929 CB 1.523 29 residues pruned to eliminate duplicates Z: 51 38.862 2.097 0.742 0.526 0.980 0.640 CB 1.496 51 residues pruned to eliminate duplicates Z: 14 14.902 1.891 0.581 0.798 0.846 0.615 CA 1.259 14 residues pruned to eliminate duplicates Z: 11 12.094 1.939 0.826 0.549 0.800 0.400 CB 1.287 Z: 50 44.307 1.997 0.796 0.670 0.980 0.776 CB 1.539 63 residues pruned to eliminate duplicates Z: 6 9.760 1.718 0.727 0.711 1.000 0.800 CA 1.215 6 residues pruned to eliminate duplicates Z: 11 12.237 1.945 0.505 0.490 0.900 0.500 CB 1.483 11 residues pruned to eliminate duplicates Z: 23 34.991 2.126 1.125 0.895 0.909 0.545 CB 1.301 23 residues pruned to eliminate duplicates Z: 7 16.216 2.139 0.754 0.682 1.000 0.667 CA 1.493 7 residues pruned to eliminate duplicates Z: 74 37.678 2.051 0.620 0.493 0.904 0.548 CB 1.479 74 residues pruned to eliminate duplicates Z: 29 48.333 1.953 1.101 0.935 0.964 0.893 CB 1.608 29 residues pruned to eliminate duplicates Z: 24 28.174 2.157 0.476 0.857 1.000 0.913 CB 1.360 24 residues pruned to eliminate duplicates Z: 24 43.415 2.082 1.328 0.933 1.000 0.783 CB 1.303 24 residues pruned to eliminate duplicates Z: 60 39.306 2.101 0.650 0.589 0.915 0.661 CB 1.481 60 residues pruned to eliminate duplicates Z: 21 26.168 2.212 0.922 0.451 0.900 0.600 CB 1.608 21 residues pruned to eliminate duplicates Z: 11 20.722 1.815 0.884 0.885 1.000 1.000 CA 1.383 11 residues pruned to eliminate duplicates Z: 49 33.291 2.087 0.540 0.555 0.958 0.667 CB 1.478 49 residues pruned to eliminate duplicates Z: 51 42.945 2.090 0.891 0.570 0.960 0.720 CB 1.496 51 residues pruned to eliminate duplicates Z: 21 11.822 1.730 0.778 0.433 0.850 0.450 CB 1.083 21 residues pruned to eliminate duplicates Z: 15 11.042 1.682 0.961 0.469 0.786 0.500 CB 1.175 15 residues pruned to eliminate duplicates Z: 22 36.914 2.061 0.850 0.848 0.952 0.810 CB 1.646 22 residues pruned to eliminate duplicates Z: 27 53.196 2.022 1.213 0.931 1.000 0.692 CB 1.630 28 residues pruned to eliminate duplicates Z: 100 48.187 2.015 0.795 0.540 0.909 0.596 CB 1.417 96 residues pruned to eliminate duplicates Z: 14 23.138 1.841 1.056 0.820 0.923 0.615 CB 1.391 14 residues pruned to eliminate duplicates Z: 8 10.711 1.724 0.833 0.671 0.857 0.571 N 1.277 8 residues pruned to eliminate duplicates Z: 11 23.812 2.171 0.873 0.762 0.900 0.400 CA 1.630 11 residues pruned to eliminate duplicates Z: 12 8.541 1.873 0.390 0.499 0.727 0.364 CB 1.362 Z: 11 12.836 1.951 0.457 0.592 0.900 0.500 CB 1.454 11 residues pruned to eliminate duplicates Z: 49 33.087 2.062 0.675 0.511 0.917 0.625 CB 1.492 49 residues pruned to eliminate duplicates Z: 54 38.050 2.107 0.676 0.562 0.943 0.660 CB 1.477 54 residues pruned to eliminate duplicates Z: 24 40.199 2.069 1.369 0.907 0.913 0.565 CB 1.331 24 residues pruned to eliminate duplicates Z: 60 45.487 2.129 0.819 0.525 0.966 0.610 CB 1.544 60 residues pruned to eliminate duplicates Z: 29 51.893 1.982 1.258 0.938 0.964 0.857 CB 1.580 27 residues pruned to eliminate duplicates Z: 7 10.056 1.874 1.343 0.550 0.833 0.667 CB 1.069 Z: 15 15.401 2.116 0.743 0.423 0.857 0.643 CB 1.410 15 residues pruned to eliminate duplicates Z: 6 11.354 1.827 0.694 0.788 1.000 0.800 CA 1.274 6 residues pruned to eliminate duplicates Z: 29 44.631 1.926 1.125 0.938 0.929 0.821 CB 1.544 29 residues pruned to eliminate duplicates Z: 28 42.208 1.996 0.982 0.943 0.963 0.852 CB 1.478 28 residues pruned to eliminate duplicates Z: 12 7.807 1.823 0.375 0.361 0.909 0.545 CB 1.200 12 residues pruned to eliminate duplicates Z: 9 13.444 2.030 0.673 0.720 0.875 0.750 CB 1.310 9 residues pruned to eliminate duplicates Z: 15 12.546 1.920 0.694 0.520 0.929 0.714 CB 1.089 15 residues pruned to eliminate duplicates Z: 27 41.490 2.004 0.878 0.919 0.962 0.846 CB 1.584 27 residues pruned to eliminate duplicates Z: 12 9.893 1.698 0.203 0.865 0.909 0.727 CB 1.177 Z: 12 21.666 1.785 0.934 0.908 1.000 0.909 N 1.344 12 residues pruned to eliminate duplicates Z: 23 47.325 2.167 1.312 0.922 1.000 0.773 CB 1.416 23 residues pruned to eliminate duplicates Z: 8 8.632 1.637 0.798 0.786 0.857 0.571 N 1.005 Z: 24 36.508 1.941 1.109 0.833 0.957 0.696 CB 1.458 24 residues pruned to eliminate duplicates Z: 13 11.084 1.800 0.785 0.436 0.833 0.500 CB 1.277 13 residues pruned to eliminate duplicates Z: 24 31.355 2.017 1.300 0.905 0.957 0.522 CB 1.049 24 residues pruned to eliminate duplicates Z: 7 2.708 1.785 0.309 0.243 0.500 0.500 CB 1.274 Z: 59 38.869 2.145 0.632 0.591 0.897 0.603 CB 1.490 59 residues pruned to eliminate duplicates Z: 40 30.285 2.099 0.738 0.544 0.872 0.692 CB 1.460 40 residues pruned to eliminate duplicates Z: 44 38.103 2.066 0.649 0.637 0.953 0.744 CB 1.573 44 residues pruned to eliminate duplicates Z: 41 23.598 1.989 0.878 0.477 0.800 0.600 CB 1.279 41 residues pruned to eliminate duplicates Z: 23 29.871 2.081 0.583 0.908 1.000 0.818 CB 1.373 23 residues pruned to eliminate duplicates Z: 99 53.310 2.086 0.843 0.595 0.908 0.612 CB 1.408 99 residues pruned to eliminate duplicates Z: 50 43.857 2.131 0.788 0.585 0.980 0.714 CB 1.547 50 residues pruned to eliminate duplicates Z: 23 39.862 2.013 0.835 0.908 1.000 0.955 CB 1.633 23 residues pruned to eliminate duplicates Z: 8 12.315 2.009 0.456 0.629 0.857 0.571 N 1.645 Z: 38 23.868 1.983 0.837 0.562 0.865 0.459 CB 1.173 38 residues pruned to eliminate duplicates Z: 29 42.377 1.968 0.782 0.923 1.000 0.786 CA 1.605 29 residues pruned to eliminate duplicates Z: 6 5.283 1.646 -0.111 0.844 1.000 0.800 O 1.201 6 residues pruned to eliminate duplicates Z: 7 3.156 1.656 0.274 0.461 0.667 0.333 CB 0.954 7 residues pruned to eliminate duplicates Z: 6 2.572 1.804 0.067 0.459 1.000 0.600 CB 0.623 Z: 9 10.843 1.922 0.443 0.517 1.000 0.500 CB 1.358 Z: 22 50.510 2.221 1.480 0.936 1.000 0.714 CB 1.394 22 residues pruned to eliminate duplicates Z: 6 5.819 1.491 0.118 0.741 1.000 0.600 CA 1.257 6 residues pruned to eliminate duplicates Z: 7 7.321 1.651 0.593 0.727 0.833 0.667 CB 1.111 7 residues pruned to eliminate duplicates Z: 10 12.731 1.676 0.240 0.907 1.000 1.000 CB 1.451 11 residues pruned to eliminate duplicates Z: 17 17.902 2.055 0.703 0.462 0.938 0.500 CB 1.419 17 residues pruned to eliminate duplicates Z: 23 39.458 2.113 0.904 0.908 0.955 0.864 CB 1.556 23 residues pruned to eliminate duplicates Z: 10 14.099 1.876 0.577 0.693 1.000 0.556 CB 1.332 10 residues pruned to eliminate duplicates Z: 6 4.623 1.928 0.067 0.269 0.800 0.800 CB 1.634 Z: 13 14.994 1.635 0.350 0.910 1.000 0.833 CB 1.391 11 residues pruned to eliminate duplicates Z: 53 40.621 2.132 0.608 0.595 0.981 0.692 CB 1.530 53 residues pruned to eliminate duplicates Z: 30 46.192 2.169 1.282 0.857 0.966 0.724 CB 1.322 30 residues pruned to eliminate duplicates Z: 23 32.224 2.132 0.622 0.895 0.955 0.864 CB 1.492 23 residues pruned to eliminate duplicates Z: 14 10.804 1.592 0.226 0.894 0.923 0.692 CB 1.193 14 residues pruned to eliminate duplicates Z: 29 49.725 1.925 1.263 0.927 0.964 0.679 CB 1.568 29 residues pruned to eliminate duplicates Z: 22 37.055 2.182 0.714 0.919 1.000 0.905 CB 1.524 22 residues pruned to eliminate duplicates Z: 22 21.656 2.131 0.840 0.481 0.857 0.476 CB 1.432 22 residues pruned to eliminate duplicates Z: 6 5.544 1.683 0.487 0.649 0.800 0.800 CB 1.077 Z: 67 41.690 2.100 0.663 0.538 0.939 0.652 CB 1.507 67 residues pruned to eliminate duplicates Z: 11 9.564 2.022 1.079 0.468 0.800 0.700 CB 0.929 11 residues pruned to eliminate duplicates Z: 10 8.289 1.884 0.489 0.618 0.778 0.667 CB 1.133 10 residues pruned to eliminate duplicates Z: 11 12.466 1.819 0.829 0.354 0.900 0.400 CB 1.543 Z: 23 43.667 2.117 1.174 0.946 1.000 0.955 CB 1.399 23 residues pruned to eliminate duplicates Z: 10 5.556 1.921 0.761 0.687 0.667 0.556 CB 0.692 Z: 35 37.532 2.098 1.075 0.740 0.941 0.735 CB 1.266 35 residues pruned to eliminate duplicates Z: 34 29.923 2.170 0.797 0.521 0.879 0.636 CB 1.488 34 residues pruned to eliminate duplicates Z: 52 35.545 2.064 0.682 0.541 0.961 0.667 CB 1.434 52 residues pruned to eliminate duplicates Z: 10 2.219 1.597 0.586 0.275 0.444 0.111 N 0.847 Z: 16 13.194 1.909 0.728 0.508 0.867 0.667 CB 1.181 16 residues pruned to eliminate duplicates Z: 10 10.801 1.704 0.776 0.714 0.889 0.444 CB 1.103 18 residues pruned to eliminate duplicates Z: 14 15.535 1.845 0.660 0.697 0.923 0.538 CB 1.274 14 residues pruned to eliminate duplicates Z: 51 31.107 2.066 0.581 0.456 0.920 0.520 CB 1.532 51 residues pruned to eliminate duplicates Z: 7 3.592 1.811 -0.189 0.461 0.833 0.333 CB 1.247 Z: 11 6.301 1.872 0.387 0.447 0.800 0.500 CB 1.012 Z: 26 35.843 1.940 0.953 0.806 0.960 0.680 CB 1.510 26 residues pruned to eliminate duplicates Z: 10 14.429 1.814 0.879 0.559 1.000 0.778 CB 1.332 16 residues pruned to eliminate duplicates Z: 19 10.960 1.641 0.606 0.499 0.889 0.611 CB 1.105 19 residues pruned to eliminate duplicates Z: 16 20.830 2.093 1.103 0.518 0.933 0.667 CA 1.286 16 residues pruned to eliminate duplicates Z: 8 6.446 1.451 0.204 0.871 1.000 0.571 O 1.017 8 residues pruned to eliminate duplicates Z: 23 35.665 2.127 0.757 0.913 1.000 0.909 CB 1.440 23 residues pruned to eliminate duplicates Z: 29 25.647 1.933 0.545 0.641 0.964 0.679 CA 1.475 29 residues pruned to eliminate duplicates Z: 8 8.499 1.776 0.893 0.569 0.857 0.571 CB 1.042 8 residues pruned to eliminate duplicates Z: 8 5.204 1.982 0.224 0.717 1.000 0.714 CB 0.666 7 residues pruned to eliminate duplicates Z: 14 11.772 1.595 0.480 0.833 0.923 0.615 CB 1.124 14 residues pruned to eliminate duplicates Z: 14 9.093 1.731 0.346 0.460 0.923 0.538 CB 1.222 14 residues pruned to eliminate duplicates Z: 24 45.420 2.070 1.369 0.941 1.000 0.913 CB 1.340 24 residues pruned to eliminate duplicates Z: 18 19.832 2.154 0.700 0.479 0.941 0.706 CB 1.426 18 residues pruned to eliminate duplicates Z: 10 11.617 2.000 0.329 0.562 0.778 0.333 CA 1.763 10 residues pruned to eliminate duplicates Z: 11 3.777 1.588 0.098 0.304 0.800 0.200 CB 1.065 Z: 21 8.451 1.735 0.184 0.419 0.850 0.450 CB 1.177 21 residues pruned to eliminate duplicates Z: 40 43.801 1.991 0.731 0.779 1.000 0.846 CB 1.591 40 residues pruned to eliminate duplicates Z: 9 3.950 1.614 0.014 0.471 0.750 0.625 CB 1.173 Z: 15 12.160 2.050 0.359 0.428 0.857 0.643 CB 1.467 15 residues pruned to eliminate duplicates Z: 43 29.378 2.026 0.631 0.544 0.929 0.643 CB 1.415 43 residues pruned to eliminate duplicates Z: 35 39.247 2.111 1.105 0.717 0.941 0.765 CB 1.322 35 residues pruned to eliminate duplicates Z: 8 15.170 1.877 1.196 0.547 1.000 0.714 CB 1.328 8 residues pruned to eliminate duplicates Z: 11 13.943 1.662 0.605 0.873 0.900 0.600 CB 1.338 11 residues pruned to eliminate duplicates Z: 12 7.140 1.551 0.965 0.331 0.727 0.545 N 1.168 9 residues pruned to eliminate duplicates Z: 23 48.661 2.149 1.362 0.937 1.000 0.864 CB 1.422 23 residues pruned to eliminate duplicates Z: 6 16.041 1.924 0.907 0.749 1.000 1.000 N 1.565 6 residues pruned to eliminate duplicates Z: 6 3.230 1.598 0.350 0.421 0.600 0.400 O 1.212 6 residues pruned to eliminate duplicates Z: 10 13.902 1.663 0.623 0.879 1.000 0.778 CB 1.245 10 residues pruned to eliminate duplicates Z: 12 13.486 1.725 0.307 0.830 1.000 0.909 CB 1.355 10 residues pruned to eliminate duplicates Z: 12 11.342 1.877 0.452 0.403 1.000 0.727 N 1.389 12 residues pruned to eliminate duplicates 6 0.377 1.564 0.788 0.461 0.800 0.600 CB 0.079 ? Z: 21 43.276 2.105 1.113 0.913 0.950 0.800 CB 1.620 21 residues pruned to eliminate duplicates Z: 23 39.145 2.078 1.404 0.950 1.000 0.727 CB 1.152 23 residues pruned to eliminate duplicates Z: 34 43.715 2.125 1.094 0.814 0.970 0.758 CB 1.342 34 residues pruned to eliminate duplicates Z: 50 32.647 2.038 0.606 0.536 0.918 0.755 CB 1.499 50 residues pruned to eliminate duplicates Z: 13 13.099 1.601 0.483 0.904 0.917 0.750 CB 1.238 13 residues pruned to eliminate duplicates Z: 7 4.915 1.148 0.523 0.768 1.000 0.833 N 0.905 Z: 9 12.553 1.780 0.942 0.707 0.875 0.625 CB 1.217 9 residues pruned to eliminate duplicates Z: 21 15.820 1.917 0.525 0.522 0.950 0.750 CB 1.247 21 residues pruned to eliminate duplicates Z: 13 14.598 1.683 0.503 0.861 0.917 0.583 CB 1.335 13 residues pruned to eliminate duplicates Z: 23 37.924 2.020 0.958 0.905 0.955 0.727 CB 1.524 23 residues pruned to eliminate duplicates Z: 12 10.904 1.830 0.206 0.527 0.909 0.545 O 1.596 Z: 12 15.534 2.079 0.326 0.700 0.909 0.636 CB 1.558 12 residues pruned to eliminate duplicates Z: 56 38.793 2.105 0.662 0.563 0.945 0.636 CB 1.488 56 residues pruned to eliminate duplicates Z: 10 7.870 1.831 0.629 0.549 0.778 0.667 N 1.078 Z: 28 53.016 1.999 1.285 0.939 1.000 0.741 CB 1.553 28 residues pruned to eliminate duplicates Z: 14 11.442 1.517 0.614 0.821 0.923 0.692 CB 1.063 14 residues pruned to eliminate duplicates Z: 34 25.994 1.942 0.712 0.613 0.879 0.636 CB 1.392 34 residues pruned to eliminate duplicates Z: 16 13.123 1.823 0.631 0.544 0.733 0.600 CB 1.487 16 residues pruned to eliminate duplicates Z: 13 14.762 2.069 0.400 0.565 0.917 0.500 CB 1.507 13 residues pruned to eliminate duplicates Z: 21 37.578 2.001 1.120 0.884 0.950 0.650 CB 1.506 21 residues pruned to eliminate duplicates Z: 35 31.669 2.049 0.780 0.553 0.912 0.588 CB 1.552 35 residues pruned to eliminate duplicates Z: 11 4.757 1.723 -0.062 0.495 0.900 0.800 CB 1.039 Z: 37 29.436 2.120 0.615 0.599 0.917 0.667 CB 1.422 37 residues pruned to eliminate duplicates Z: 11 7.121 1.717 0.729 0.261 0.800 0.300 N 1.245 11 residues pruned to eliminate duplicates Z: 6 3.967 1.877 0.384 0.387 1.000 0.600 CB 0.770 Z: 31 17.540 1.897 0.967 0.410 0.700 0.500 CB 1.348 31 residues pruned to eliminate duplicates Z: 8 6.413 1.329 0.698 0.698 1.000 0.429 CB 0.896 Z: 56 45.930 2.001 0.813 0.643 0.945 0.727 CB 1.579 72 residues pruned to eliminate duplicates Z: 10 12.260 1.720 0.755 0.452 1.000 0.444 O 1.422 10 residues pruned to eliminate duplicates Z: 7 4.663 1.324 0.454 0.750 1.000 0.833 N 0.791 7 residues pruned to eliminate duplicates Z: 26 33.025 2.002 0.862 0.700 0.920 0.720 CB 1.605 26 residues pruned to eliminate duplicates Z: 47 34.286 2.084 0.750 0.551 0.935 0.652 CB 1.412 47 residues pruned to eliminate duplicates 7 1.572 1.480 0.393 0.246 0.500 0.333 CB 0.835 ? Z: 29 39.672 1.893 1.004 0.913 0.929 0.750 CB 1.506 29 residues pruned to eliminate duplicates Z: 9 15.359 2.063 0.721 0.528 0.875 0.250 CB 1.700 9 residues pruned to eliminate duplicates Z: 24 12.519 1.925 0.667 0.424 0.652 0.478 CB 1.350 24 residues pruned to eliminate duplicates Z: 13 15.436 1.966 0.774 0.572 0.917 0.583 CB 1.300 13 residues pruned to eliminate duplicates Z: 30 51.243 1.891 1.277 0.920 1.000 0.724 CB 1.555 30 residues pruned to eliminate duplicates Z: 38 43.474 2.196 0.874 0.652 0.919 0.676 CB 1.641 38 residues pruned to eliminate duplicates Z: 58 35.679 2.041 0.588 0.551 0.912 0.632 CB 1.521 58 residues pruned to eliminate duplicates 6 1.230 1.288 1.059 0.419 0.600 0.400 CB 0.376 ? Z: 31 37.159 1.930 0.682 0.871 0.967 0.800 CA 1.577 31 residues pruned to eliminate duplicates Z: 11 14.478 1.621 0.800 0.920 1.000 0.600 CB 1.105 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 6.133 1.612 0.400 0.552 1.000 0.500 CA 1.055 6 residues pruned to eliminate duplicates Z: 6 5.731 1.573 0.413 0.669 1.000 1.000 CA 0.986 6 residues pruned to eliminate duplicates Z: 22 17.916 2.123 0.736 0.263 0.905 0.571 CB 1.537 22 residues pruned to eliminate duplicates Z: 19 26.105 2.230 0.748 0.430 1.000 0.667 CB 1.698 19 residues pruned to eliminate duplicates Z: 36 31.311 2.186 0.871 0.492 0.886 0.629 CB 1.472 36 residues pruned to eliminate duplicates Z: 27 24.271 2.139 0.870 0.440 0.846 0.615 CB 1.495 27 residues pruned to eliminate duplicates Z: 17 21.279 2.135 0.868 0.434 1.000 0.625 CB 1.428 17 residues pruned to eliminate duplicates Z: 53 52.222 2.191 0.951 0.587 0.962 0.577 CB 1.620 53 residues pruned to eliminate duplicates Z: 20 27.768 2.204 0.903 0.483 0.947 0.684 CB 1.631 20 residues pruned to eliminate duplicates Z: 34 40.643 2.241 0.943 0.536 0.970 0.697 CB 1.617 35 residues pruned to eliminate duplicates Z: 7 5.388 1.660 0.874 0.350 0.833 0.500 N 0.998 7 residues pruned to eliminate duplicates Z: 19 29.592 2.267 0.971 0.481 0.944 0.667 CB 1.685 21 residues pruned to eliminate duplicates Z: 7 12.322 1.729 0.991 0.707 1.000 0.667 N 1.211 7 residues pruned to eliminate duplicates Z: 55 48.423 2.192 0.942 0.591 0.907 0.593 CB 1.564 55 residues pruned to eliminate duplicates Z: 55 45.642 2.119 0.970 0.583 0.889 0.648 CB 1.547 55 residues pruned to eliminate duplicates Z: 22 24.825 2.142 0.926 0.419 0.905 0.429 CB 1.580 22 residues pruned to eliminate duplicates Z: 55 47.793 2.188 0.846 0.588 0.907 0.593 CB 1.631 55 residues pruned to eliminate duplicates Z: 26 28.623 2.142 0.954 0.411 0.920 0.560 CB 1.631 26 residues pruned to eliminate duplicates Z: 25 28.539 2.169 0.916 0.414 0.917 0.542 CB 1.673 25 residues pruned to eliminate duplicates Z: 20 30.424 2.254 1.188 0.467 0.895 0.526 CB 1.636 19 residues pruned to eliminate duplicates 6 1.685 1.599 0.522 0.408 0.600 0.400 CB 0.568 ? Z: 7 7.896 1.976 0.563 0.628 1.000 0.500 CB 0.926 Z: 7 13.895 2.202 1.186 0.502 1.000 0.500 CB 1.176 14 residues pruned to eliminate duplicates Z: 38 48.211 2.239 0.993 0.652 0.946 0.622 CB 1.630 38 residues pruned to eliminate duplicates Z: 39 44.031 2.232 0.896 0.642 0.921 0.658 CB 1.605 39 residues pruned to eliminate duplicates Z: 20 34.672 2.079 1.312 0.586 0.947 0.526 CB 1.608 20 residues pruned to eliminate duplicates Z: 33 31.535 2.085 1.004 0.515 0.844 0.562 CB 1.558 33 residues pruned to eliminate duplicates Z: 24 27.976 2.244 0.860 0.479 0.957 0.522 CB 1.494 24 residues pruned to eliminate duplicates Z: 21 31.476 2.184 1.168 0.488 0.900 0.650 CB 1.672 21 residues pruned to eliminate duplicates Z: 38 47.769 2.242 1.003 0.655 0.919 0.676 CB 1.649 38 residues pruned to eliminate duplicates Z: 20 29.744 2.296 1.072 0.536 0.895 0.684 CB 1.547 20 residues pruned to eliminate duplicates Z: 41 45.486 2.177 0.909 0.648 0.950 0.650 CB 1.586 41 residues pruned to eliminate duplicates Z: 39 49.308 2.264 1.007 0.648 0.921 0.579 CB 1.664 39 residues pruned to eliminate duplicates Z: 46 42.112 2.148 0.953 0.596 0.889 0.667 CB 1.535 46 residues pruned to eliminate duplicates Z: 42 39.589 2.083 0.907 0.642 0.902 0.634 CB 1.510 42 residues pruned to eliminate duplicates Z: 38 50.845 2.234 1.051 0.746 0.919 0.649 CB 1.594 38 residues pruned to eliminate duplicates Z: 37 46.942 2.149 1.242 0.661 0.861 0.583 CB 1.624 37 residues pruned to eliminate duplicates Z: 19 41.578 2.190 0.938 0.887 0.944 0.833 CB 1.763 19 residues pruned to eliminate duplicates Z: 38 51.525 2.226 0.983 0.687 0.973 0.676 CB 1.661 38 residues pruned to eliminate duplicates Z: 52 42.321 2.180 0.798 0.510 0.941 0.569 CB 1.590 52 residues pruned to eliminate duplicates Z: 39 37.591 2.114 0.908 0.587 0.868 0.553 CB 1.601 39 residues pruned to eliminate duplicates Z: 41 43.144 2.138 1.009 0.577 0.925 0.625 CB 1.594 42 residues pruned to eliminate duplicates Z: 22 36.488 2.042 0.945 0.868 0.952 0.857 CB 1.539 22 residues pruned to eliminate duplicates Z: 39 36.075 2.118 0.951 0.513 0.921 0.711 CB 1.517 39 residues pruned to eliminate duplicates Z: 21 36.543 2.170 0.880 0.813 0.950 0.550 CB 1.606 21 residues pruned to eliminate duplicates Z: 39 47.757 2.207 1.057 0.649 0.921 0.553 CB 1.612 39 residues pruned to eliminate duplicates Z: 37 35.332 2.066 0.983 0.576 0.861 0.500 CB 1.550 37 residues pruned to eliminate duplicates Z: 18 46.865 2.220 1.117 0.860 1.000 0.765 CB 1.778 18 residues pruned to eliminate duplicates Z: 39 39.368 2.137 0.995 0.566 0.921 0.500 CB 1.526 39 residues pruned to eliminate duplicates Z: 37 46.520 2.172 1.027 0.644 0.972 0.611 CB 1.584 37 residues pruned to eliminate duplicates Z: 38 50.413 2.238 1.077 0.668 0.946 0.541 CB 1.615 38 residues pruned to eliminate duplicates Z: 34 51.629 2.167 1.279 0.730 0.939 0.515 CB 1.574 34 residues pruned to eliminate duplicates Z: 42 48.756 2.177 1.115 0.624 0.902 0.537 CB 1.629 42 residues pruned to eliminate duplicates Z: 10 10.695 2.039 0.581 0.586 0.778 0.333 CB 1.309 10 residues pruned to eliminate duplicates Z: 9 12.451 2.099 0.511 0.631 0.875 0.625 CB 1.403 9 residues pruned to eliminate duplicates Z: 11 11.114 1.989 0.527 0.489 0.800 0.500 CB 1.462 11 residues pruned to eliminate duplicates Z: 22 18.862 2.081 0.611 0.505 0.762 0.524 CB 1.604 22 residues pruned to eliminate duplicates Z: 26 21.150 2.085 0.744 0.465 0.840 0.480 CB 1.436 26 residues pruned to eliminate duplicates Z: 15 9.828 2.011 0.530 0.371 0.714 0.286 CB 1.373 15 residues pruned to eliminate duplicates Z: 22 22.305 2.112 0.853 0.528 0.810 0.571 CB 1.495 22 residues pruned to eliminate duplicates Z: 59 36.904 2.116 0.769 0.527 0.862 0.638 CB 1.463 59 residues pruned to eliminate duplicates Z: 63 37.787 2.098 0.669 0.506 0.903 0.629 CB 1.507 63 residues pruned to eliminate duplicates Z: 21 22.135 2.070 0.735 0.534 0.850 0.550 CB 1.569 21 residues pruned to eliminate duplicates Z: 56 46.146 2.103 1.030 0.624 0.927 0.655 CB 1.399 56 residues pruned to eliminate duplicates Z: 19 9.438 2.015 0.843 0.349 0.611 0.389 CB 1.155 19 residues pruned to eliminate duplicates Z: 22 20.456 2.128 0.915 0.431 0.810 0.476 CB 1.453 22 residues pruned to eliminate duplicates Z: 22 29.096 2.081 0.918 0.518 0.952 0.524 CB 1.641 22 residues pruned to eliminate duplicates Z: 16 17.106 2.111 0.701 0.440 0.800 0.667 CB 1.636 16 residues pruned to eliminate duplicates Z: 62 39.467 2.078 0.731 0.510 0.934 0.557 CB 1.489 62 residues pruned to eliminate duplicates Z: 23 19.745 2.072 0.762 0.468 0.773 0.545 CB 1.543 23 residues pruned to eliminate duplicates Z: 9 10.366 2.219 0.463 0.484 0.750 0.500 CB 1.529 9 residues pruned to eliminate duplicates Z: 14 13.576 2.121 0.464 0.523 0.692 0.462 CA 1.712 14 residues pruned to eliminate duplicates Z: 26 20.577 2.081 0.792 0.407 0.840 0.600 CB 1.449 26 residues pruned to eliminate duplicates Z: 63 36.290 2.096 0.703 0.518 0.903 0.613 CB 1.404 63 residues pruned to eliminate duplicates Z: 37 28.145 2.126 0.735 0.446 0.889 0.528 CB 1.512 37 residues pruned to eliminate duplicates Z: 17 21.197 2.067 0.896 0.486 0.938 0.562 CB 1.463 17 residues pruned to eliminate duplicates Z: 51 35.385 2.079 0.687 0.543 0.920 0.720 CB 1.487 51 residues pruned to eliminate duplicates Z: 26 26.400 2.206 0.787 0.469 0.880 0.600 CB 1.571 26 residues pruned to eliminate duplicates Z: 71 43.738 2.100 0.677 0.523 0.957 0.571 CB 1.516 71 residues pruned to eliminate duplicates Z: 58 35.849 2.093 0.623 0.515 0.930 0.614 CB 1.482 58 residues pruned to eliminate duplicates Z: 22 21.272 2.181 0.680 0.483 0.857 0.524 CB 1.504 22 residues pruned to eliminate duplicates Z: 110 56.044 2.095 0.726 0.524 0.945 0.642 CB 1.534 110 residues pruned to eliminate duplicates Z: 61 36.233 2.090 0.557 0.543 0.917 0.617 CB 1.503 61 residues pruned to eliminate duplicates Z: 51 33.201 2.070 0.585 0.528 0.980 0.640 CB 1.421 51 residues pruned to eliminate duplicates Z: 66 36.207 2.043 0.672 0.540 0.877 0.677 CB 1.442 66 residues pruned to eliminate duplicates Z: 71 37.630 2.073 0.657 0.488 0.900 0.600 CB 1.473 71 residues pruned to eliminate duplicates Z: 54 40.827 2.107 0.749 0.561 0.943 0.660 CB 1.520 54 residues pruned to eliminate duplicates Z: 59 39.784 2.100 0.645 0.541 0.948 0.707 CB 1.533 59 residues pruned to eliminate duplicates Z: 73 39.926 2.096 0.583 0.517 0.944 0.667 CB 1.477 73 residues pruned to eliminate duplicates Z: 73 32.348 2.019 0.562 0.518 0.861 0.597 CB 1.379 73 residues pruned to eliminate duplicates Z: 57 35.125 2.100 0.512 0.550 0.964 0.696 CB 1.460 57 residues pruned to eliminate duplicates Z: 54 40.472 2.125 0.675 0.551 0.981 0.698 CB 1.515 54 residues pruned to eliminate duplicates Z: 56 36.367 2.084 0.710 0.504 0.927 0.636 CB 1.478 56 residues pruned to eliminate duplicates Z: 60 41.338 2.122 0.694 0.538 0.966 0.610 CB 1.493 60 residues pruned to eliminate duplicates Z: 52 37.501 2.069 0.670 0.551 0.980 0.706 CB 1.474 52 residues pruned to eliminate duplicates Z: 49 33.756 2.062 0.687 0.549 0.938 0.625 CB 1.425 49 residues pruned to eliminate duplicates Z: 75 38.885 2.055 0.636 0.518 0.932 0.608 CB 1.417 75 residues pruned to eliminate duplicates Z: 73 39.780 2.101 0.605 0.515 0.931 0.611 CB 1.471 73 residues pruned to eliminate duplicates Z: 51 35.884 2.049 0.708 0.508 0.960 0.560 CB 1.498 51 residues pruned to eliminate duplicates Z: 54 33.963 1.989 0.630 0.532 0.962 0.623 CB 1.449 54 residues pruned to eliminate duplicates Z: 40 27.006 2.120 0.531 0.495 0.897 0.615 CB 1.492 40 residues pruned to eliminate duplicates Z: 63 37.637 2.076 0.621 0.485 0.952 0.581 CB 1.516 63 residues pruned to eliminate duplicates Z: 56 39.393 2.084 0.748 0.568 0.964 0.709 CB 1.416 56 residues pruned to eliminate duplicates Z: 51 31.736 2.045 0.626 0.492 0.940 0.620 CB 1.446 51 residues pruned to eliminate duplicates Z: 51 33.379 2.098 0.689 0.473 0.940 0.500 CB 1.457 51 residues pruned to eliminate duplicates Z: 60 42.160 2.118 0.774 0.508 0.949 0.627 CB 1.528 60 residues pruned to eliminate duplicates Z: 60 38.592 2.128 0.720 0.455 0.949 0.610 CB 1.515 60 residues pruned to eliminate duplicates Z: 41 33.956 2.086 0.775 0.541 0.950 0.625 CB 1.466 41 residues pruned to eliminate duplicates Z: 68 40.488 2.053 0.774 0.487 0.910 0.582 CB 1.512 68 residues pruned to eliminate duplicates Z: 75 42.576 2.082 0.756 0.517 0.932 0.649 CB 1.427 75 residues pruned to eliminate duplicates Z: 51 41.333 2.104 0.847 0.560 0.940 0.700 CB 1.510 51 residues pruned to eliminate duplicates Z: 53 45.280 2.181 0.801 0.547 0.962 0.654 CB 1.589 53 residues pruned to eliminate duplicates Z: 50 33.993 2.040 0.715 0.483 0.939 0.592 CB 1.504 50 residues pruned to eliminate duplicates Z: 59 42.229 2.071 0.908 0.535 0.931 0.655 CB 1.456 59 residues pruned to eliminate duplicates Z: 58 40.222 2.111 0.755 0.520 0.947 0.684 CB 1.489 58 residues pruned to eliminate duplicates Z: 56 43.711 2.127 0.758 0.551 0.964 0.709 CB 1.558 56 residues pruned to eliminate duplicates Z: 52 36.621 2.047 0.785 0.529 0.922 0.569 CB 1.481 52 residues pruned to eliminate duplicates Z: 70 38.243 2.073 0.706 0.475 0.913 0.623 CB 1.463 70 residues pruned to eliminate duplicates Z: 74 43.862 2.113 0.685 0.520 0.932 0.630 CB 1.518 74 residues pruned to eliminate duplicates Z: 75 37.013 2.073 0.617 0.489 0.878 0.541 CB 1.477 75 residues pruned to eliminate duplicates Z: 81 39.331 2.064 0.678 0.504 0.875 0.588 CB 1.445 81 residues pruned to eliminate duplicates Z: 95 54.973 2.086 0.778 0.582 0.926 0.734 CB 1.526 95 residues pruned to eliminate duplicates Z: 13 9.796 1.918 0.204 0.404 0.917 0.333 CB 1.478 13 residues pruned to eliminate duplicates Z: 12 13.644 1.960 0.742 0.506 0.818 0.727 CB 1.463 12 residues pruned to eliminate duplicates Z: 11 18.909 1.966 0.810 0.589 1.000 0.500 CB 1.544 11 residues pruned to eliminate duplicates Z: 11 15.279 1.979 0.746 0.506 1.000 0.500 CB 1.391 11 residues pruned to eliminate duplicates Z: 12 13.433 1.928 0.820 0.455 0.818 0.364 CB 1.477 12 residues pruned to eliminate duplicates Z: 16 15.135 1.952 0.917 0.531 0.867 0.667 CB 1.168 9 residues pruned to eliminate duplicates Z: 9 14.005 1.821 1.167 0.689 0.875 0.750 CB 1.206 9 residues pruned to eliminate duplicates Z: 16 13.952 1.861 0.844 0.458 0.933 0.467 CB 1.174 16 residues pruned to eliminate duplicates Z: 16 13.915 1.834 0.903 0.371 0.933 0.667 CB 1.267 17 residues pruned to eliminate duplicates Z: 8 8.160 1.782 0.678 0.398 0.857 0.714 CB 1.339 8 residues pruned to eliminate duplicates Z: 24 11.609 1.699 0.499 0.521 0.870 0.478 CB 1.070 24 residues pruned to eliminate duplicates Z: 17 12.197 1.862 0.792 0.535 0.875 0.688 CB 1.009 17 residues pruned to eliminate duplicates Z: 15 16.218 1.926 0.836 0.560 1.000 0.643 CB 1.157 15 residues pruned to eliminate duplicates Z: 22 35.700 2.222 0.685 0.920 1.000 0.952 CB 1.465 22 residues pruned to eliminate duplicates Z: 31 33.270 2.153 0.834 0.743 0.933 0.867 CB 1.326 31 residues pruned to eliminate duplicates Z: 16 17.189 1.997 0.679 0.719 0.933 0.800 CB 1.163 12 residues pruned to eliminate duplicates Z: 23 31.131 2.101 0.653 0.935 1.000 0.864 CB 1.331 23 residues pruned to eliminate duplicates Z: 23 32.865 2.205 0.700 0.855 0.955 0.727 CB 1.445 23 residues pruned to eliminate duplicates Z: 24 39.091 2.149 1.100 0.828 0.957 0.783 CB 1.422 24 residues pruned to eliminate duplicates Z: 34 42.653 2.124 1.082 0.782 0.970 0.788 CB 1.350 38 residues pruned to eliminate duplicates Z: 23 31.407 2.090 0.946 0.889 0.955 0.727 CB 1.242 23 residues pruned to eliminate duplicates Z: 30 32.996 2.143 0.908 0.789 0.931 0.724 CB 1.248 30 residues pruned to eliminate duplicates Z: 31 42.513 2.170 1.180 0.800 0.967 0.733 CB 1.305 31 residues pruned to eliminate duplicates Z: 24 40.176 2.205 1.276 0.849 0.913 0.609 CB 1.355 24 residues pruned to eliminate duplicates Z: 24 40.556 2.137 1.334 0.856 0.957 0.522 CB 1.307 24 residues pruned to eliminate duplicates Z: 45 32.053 2.032 0.947 0.654 0.864 0.523 CB 1.225 45 residues pruned to eliminate duplicates Z: 21 48.116 2.240 1.447 0.913 0.950 0.550 CB 1.463 21 residues pruned to eliminate duplicates Z: 24 40.594 2.205 1.335 0.866 0.913 0.609 CB 1.319 24 residues pruned to eliminate duplicates Z: 23 49.586 2.141 1.537 0.932 0.955 0.591 CB 1.423 23 residues pruned to eliminate duplicates Z: 22 47.005 2.236 1.413 0.915 0.952 0.857 CB 1.410 22 residues pruned to eliminate duplicates Z: 24 42.520 2.153 1.360 0.834 0.957 0.826 CB 1.368 24 residues pruned to eliminate duplicates Z: 22 47.704 2.222 1.428 0.920 0.952 0.524 CB 1.426 22 residues pruned to eliminate duplicates Z: 23 48.353 2.139 1.457 0.929 1.000 0.773 CB 1.373 23 residues pruned to eliminate duplicates Z: 54 43.554 2.127 0.962 0.638 0.906 0.679 CB 1.391 54 residues pruned to eliminate duplicates Z: 31 45.050 2.165 1.275 0.810 0.967 0.533 CB 1.319 31 residues pruned to eliminate duplicates Z: 6 3.324 1.527 0.663 0.414 0.800 0.600 CA 0.801 6 residues pruned to eliminate duplicates Z: 15 15.745 1.926 0.819 0.444 0.857 0.429 CB 1.484 15 residues pruned to eliminate duplicates Z: 34 42.718 2.089 1.179 0.789 0.970 0.606 CB 1.307 34 residues pruned to eliminate duplicates Z: 35 41.175 2.105 1.011 0.746 0.971 0.735 CB 1.379 35 residues pruned to eliminate duplicates Z: 34 44.867 2.106 1.282 0.769 0.970 0.636 CB 1.320 34 residues pruned to eliminate duplicates Z: 31 35.660 2.069 1.105 0.731 0.933 0.667 CB 1.302 31 residues pruned to eliminate duplicates Z: 34 43.069 2.139 1.114 0.785 0.970 0.879 CB 1.332 34 residues pruned to eliminate duplicates Z: 35 42.419 2.096 1.159 0.786 0.971 0.824 CB 1.289 35 residues pruned to eliminate duplicates Z: 37 39.541 2.063 1.043 0.735 0.944 0.722 CB 1.341 29 residues pruned to eliminate duplicates Z: 9 11.455 1.726 0.271 0.899 1.000 0.625 CB 1.320 9 residues pruned to eliminate duplicates Z: 10 11.219 1.774 0.286 0.740 0.889 0.778 CB 1.488 10 residues pruned to eliminate duplicates Z: 14 10.649 1.623 0.257 0.694 0.923 0.692 CB 1.312 14 residues pruned to eliminate duplicates Z: 9 12.001 1.794 0.201 0.855 1.000 0.500 CB 1.454 9 residues pruned to eliminate duplicates Z: 12 8.079 1.666 0.282 0.589 0.909 0.455 CB 1.152 12 residues pruned to eliminate duplicates Z: 16 10.533 1.575 0.370 0.590 0.933 0.600 CB 1.239 16 residues pruned to eliminate duplicates Z: 15 10.869 1.614 0.314 0.681 0.929 0.714 CB 1.249 15 residues pruned to eliminate duplicates Z: 13 13.002 1.673 0.706 0.692 0.917 0.333 CB 1.204 13 residues pruned to eliminate duplicates Z: 12 13.269 1.748 0.550 0.788 0.909 0.727 CB 1.261 12 residues pruned to eliminate duplicates Z: 15 13.008 1.608 0.705 0.725 0.929 0.571 CB 1.114 15 residues pruned to eliminate duplicates Z: 13 13.491 1.680 0.698 0.773 0.917 0.667 CB 1.170 13 residues pruned to eliminate duplicates Z: 7 6.063 1.484 0.373 0.876 1.000 0.833 CB 0.883 Z: 9 4.835 1.472 0.291 0.690 0.875 0.625 CB 0.864 9 residues pruned to eliminate duplicates Z: 9 4.408 1.379 0.210 0.707 0.875 0.750 CB 0.884 8 residues pruned to eliminate duplicates Z: 12 6.503 1.320 0.378 0.880 0.909 0.727 CB 0.860 8 residues pruned to eliminate duplicates Z: 6 5.435 1.481 0.516 0.802 1.000 1.000 CB 0.831 6 residues pruned to eliminate duplicates Z: 6 4.114 1.492 0.561 0.750 0.800 0.600 CB 0.790 6 residues pruned to eliminate duplicates Z: 10 5.212 1.403 0.312 0.720 1.000 0.556 CB 0.773 10 residues pruned to eliminate duplicates Z: 41 47.076 2.065 0.772 0.740 0.975 0.800 CB 1.683 41 residues pruned to eliminate duplicates Z: 43 41.423 2.045 0.626 0.716 0.976 0.786 CB 1.620 43 residues pruned to eliminate duplicates Z: 42 43.085 2.039 0.785 0.711 0.976 0.829 CB 1.564 42 residues pruned to eliminate duplicates Z: 53 38.673 1.993 0.682 0.571 0.962 0.769 CB 1.553 53 residues pruned to eliminate duplicates Z: 50 43.356 2.009 0.712 0.644 0.980 0.673 CB 1.607 50 residues pruned to eliminate duplicates Z: 48 41.779 1.994 0.802 0.659 0.915 0.766 CB 1.600 48 residues pruned to eliminate duplicates Z: 40 45.330 2.073 0.771 0.742 0.974 0.949 CB 1.634 40 residues pruned to eliminate duplicates Z: 37 45.435 2.112 0.838 0.709 0.944 0.806 CB 1.709 37 residues pruned to eliminate duplicates Z: 34 42.112 2.096 0.835 0.680 1.000 0.909 CB 1.615 34 residues pruned to eliminate duplicates Z: 45 34.953 2.007 0.812 0.515 0.932 0.591 CB 1.531 45 residues pruned to eliminate duplicates Z: 42 42.237 2.055 0.755 0.666 0.976 0.732 CB 1.607 42 residues pruned to eliminate duplicates Z: 47 41.792 2.032 0.802 0.604 0.935 0.783 CB 1.630 47 residues pruned to eliminate duplicates Z: 37 44.069 2.062 0.750 0.735 1.000 0.861 CB 1.648 37 residues pruned to eliminate duplicates Z: 39 47.346 2.124 0.904 0.709 0.947 0.921 CB 1.658 39 residues pruned to eliminate duplicates Z: 34 30.953 2.115 0.599 0.562 0.879 0.758 CB 1.709 34 residues pruned to eliminate duplicates Z: 37 45.260 2.085 0.810 0.744 0.972 0.917 CB 1.652 37 residues pruned to eliminate duplicates Z: 38 42.901 2.069 0.711 0.737 0.973 0.892 CB 1.655 38 residues pruned to eliminate duplicates Z: 34 38.541 2.076 0.906 0.606 0.939 0.848 CB 1.633 34 residues pruned to eliminate duplicates Z: 38 40.946 2.061 0.673 0.699 0.973 0.811 CB 1.674 38 residues pruned to eliminate duplicates Z: 38 36.791 2.058 0.728 0.613 0.946 0.757 CB 1.617 38 residues pruned to eliminate duplicates Z: 41 43.518 2.056 0.785 0.686 0.975 0.775 CB 1.622 41 residues pruned to eliminate duplicates Z: 50 47.088 2.056 0.753 0.690 0.980 0.857 CB 1.602 50 residues pruned to eliminate duplicates Z: 39 39.578 2.038 0.697 0.700 1.000 0.737 CB 1.547 39 residues pruned to eliminate duplicates Z: 40 39.510 2.045 0.772 0.661 0.949 0.615 CB 1.585 40 residues pruned to eliminate duplicates Z: 36 40.022 2.034 0.863 0.716 0.943 0.771 CB 1.557 36 residues pruned to eliminate duplicates Z: 50 46.974 2.039 0.795 0.668 0.980 0.776 CB 1.603 50 residues pruned to eliminate duplicates Z: 38 49.144 2.060 1.114 0.722 0.973 0.730 CB 1.561 38 residues pruned to eliminate duplicates Z: 37 49.833 2.097 1.007 0.713 0.972 0.861 CB 1.673 37 residues pruned to eliminate duplicates Z: 38 48.548 2.073 1.001 0.723 0.973 0.730 CB 1.616 38 residues pruned to eliminate duplicates Z: 38 49.830 2.085 0.972 0.732 1.000 0.757 CB 1.617 38 residues pruned to eliminate duplicates Z: 47 46.929 2.041 0.936 0.618 0.957 0.783 CB 1.637 47 residues pruned to eliminate duplicates Z: 36 36.421 1.985 0.883 0.643 0.886 0.686 CB 1.628 36 residues pruned to eliminate duplicates Z: 35 48.749 2.140 1.076 0.667 0.971 0.794 CB 1.661 35 residues pruned to eliminate duplicates Z: 10 18.017 1.744 0.834 0.879 1.000 1.000 CB 1.361 10 residues pruned to eliminate duplicates Z: 40 48.122 2.020 1.100 0.736 0.974 0.718 CB 1.509 40 residues pruned to eliminate duplicates Z: 37 49.854 2.061 1.200 0.734 1.000 0.667 CB 1.484 37 residues pruned to eliminate duplicates Z: 6 4.312 1.339 0.681 0.661 0.800 0.400 O 0.922 6 residues pruned to eliminate duplicates Z: 6 4.633 1.323 0.420 0.751 1.000 0.600 CB 0.882 6 residues pruned to eliminate duplicates Z: 8 3.385 1.521 0.669 0.450 0.714 0.286 CB 0.742 8 residues pruned to eliminate duplicates 247 residues left after pruning, divided into chains as follows: A: 15 B: 53 C: 15 D: 12 E: 152 CC for partial structure against native data = 43.87 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.298, Contrast = 0.668, Connect. = 0.729 for dens.mod. cycle 1 = 0.298, Contrast = 0.767, Connect. = 0.758 for dens.mod. cycle 2 = 0.298, Contrast = 0.889, Connect. = 0.778 for dens.mod. cycle 3 = 0.298, Contrast = 0.900, Connect. = 0.779 for dens.mod. cycle 4 = 0.298, Contrast = 0.909, Connect. = 0.780 for dens.mod. cycle 5 = 0.298, Contrast = 0.907, Connect. = 0.781 for dens.mod. cycle 6 = 0.298, Contrast = 0.906, Connect. = 0.782 for dens.mod. cycle 7 = 0.298, Contrast = 0.904, Connect. = 0.782 for dens.mod. cycle 8 = 0.298, Contrast = 0.901, Connect. = 0.783 for dens.mod. cycle 9 = 0.298, Contrast = 0.897, Connect. = 0.783 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1361 peaks > 0.5 sigma used to seed fragment search Space for about 530 unique residues taking solvent into account 299 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 45.390 2.188 0.912 0.892 1.000 0.895 CB 1.789 B: 21 36.849 2.117 0.707 0.869 0.950 0.700 CB 1.754 21 residues pruned to eliminate duplicates C: 20 37.173 2.147 0.656 0.918 1.000 0.895 CB 1.691 20 residues pruned to eliminate duplicates D: 20 40.404 2.154 0.809 0.876 1.000 0.842 CB 1.729 20 residues pruned to eliminate duplicates E: 54 49.076 2.223 0.960 0.592 0.906 0.679 CB 1.564 20 residues pruned to eliminate duplicates F: 47 32.768 2.125 0.637 0.561 0.891 0.609 CB 1.468 G: 28 48.123 1.988 1.097 0.936 1.000 0.815 CB 1.547 H: 51 34.508 2.071 0.659 0.501 0.960 0.600 CB 1.479 47 residues pruned to eliminate duplicates I: 20 20.465 2.182 0.775 0.361 0.947 0.474 CB 1.486 19 residues pruned to eliminate duplicates J: 21 43.154 2.075 0.843 0.920 1.000 0.850 CB 1.776 21 residues pruned to eliminate duplicates K: 23 47.303 2.135 1.156 0.942 1.000 0.864 CB 1.520 L: 28 45.444 2.017 0.961 0.920 0.963 0.963 CB 1.617 28 residues pruned to eliminate duplicates M: 27 41.270 2.025 0.842 0.906 0.962 0.846 CA 1.605 27 residues pruned to eliminate duplicates N: 19 32.300 2.270 1.053 0.503 1.000 0.778 CB 1.628 20 residues pruned to eliminate duplicates O: 11 19.995 1.950 0.751 0.790 1.000 0.700 CA 1.435 P: 20 22.670 2.143 0.750 0.417 0.947 0.632 CB 1.597 19 residues pruned to eliminate duplicates Q: 51 36.984 2.075 0.693 0.548 0.980 0.700 CB 1.449 51 residues pruned to eliminate duplicates R: 38 37.049 2.076 0.648 0.642 0.973 0.784 CB 1.602 23 residues pruned to eliminate duplicates S: 40 40.877 2.224 0.872 0.626 0.872 0.590 CB 1.602 40 residues pruned to eliminate duplicates T: 25 36.074 2.059 1.003 0.900 0.958 0.792 CB 1.330 25 residues pruned to eliminate duplicates U: 20 41.037 2.144 0.880 0.902 0.947 0.842 CB 1.758 20 residues pruned to eliminate duplicates V: 27 50.067 2.025 1.084 0.925 1.000 0.885 CB 1.632 28 residues pruned to eliminate duplicates W: 51 37.195 2.076 0.672 0.543 0.960 0.660 CB 1.514 51 residues pruned to eliminate duplicates X: 12 13.546 1.851 0.761 0.550 0.818 0.636 CA 1.458 Y: 24 31.027 1.924 0.604 0.879 0.957 0.783 CB 1.590 24 residues pruned to eliminate duplicates Z: 19 30.733 2.109 0.384 0.941 1.000 1.000 CB 1.723 19 residues pruned to eliminate duplicates Z: 24 37.695 2.090 1.052 0.904 1.000 0.826 CB 1.305 24 residues pruned to eliminate duplicates Z: 22 39.301 2.061 0.856 0.894 0.952 0.810 CB 1.689 22 residues pruned to eliminate duplicates Z: 60 35.761 2.048 0.673 0.524 0.898 0.559 CB 1.477 60 residues pruned to eliminate duplicates Z: 22 31.930 2.184 0.516 0.944 1.000 0.905 CB 1.458 22 residues pruned to eliminate duplicates Z: 11 17.365 1.965 0.857 0.523 1.000 0.600 CB 1.471 4 residues pruned to eliminate duplicates Z: 23 41.083 2.118 1.162 0.943 1.000 0.682 CB 1.326 23 residues pruned to eliminate duplicates Z: 21 44.115 2.110 0.947 0.907 1.000 0.850 CB 1.707 20 residues pruned to eliminate duplicates Z: 13 13.896 1.962 0.627 0.777 0.833 0.667 CA 1.182 13 residues pruned to eliminate duplicates Z: 27 44.728 2.003 1.019 0.928 0.962 0.846 CB 1.579 27 residues pruned to eliminate duplicates Z: 7 8.856 1.769 0.813 0.346 1.000 0.333 CB 1.334 Z: 23 46.069 2.115 1.396 0.943 1.000 0.818 CB 1.343 23 residues pruned to eliminate duplicates Z: 27 50.869 2.044 1.063 0.941 0.962 0.923 CA 1.707 27 residues pruned to eliminate duplicates Z: 10 13.706 1.730 0.557 0.833 1.000 1.000 N 1.273 10 residues pruned to eliminate duplicates Z: 24 38.543 2.100 1.019 0.933 1.000 0.870 CB 1.323 24 residues pruned to eliminate duplicates Z: 10 18.248 2.030 0.804 0.765 0.778 0.556 CB 1.688 10 residues pruned to eliminate duplicates Z: 7 5.911 1.716 0.227 0.657 0.833 0.667 N 1.188 7 residues pruned to eliminate duplicates Z: 11 26.665 2.148 0.740 0.830 1.000 0.700 CA 1.696 12 residues pruned to eliminate duplicates Z: 27 50.990 2.042 1.141 0.921 0.962 0.846 CA 1.674 27 residues pruned to eliminate duplicates Z: 24 43.771 2.089 1.107 0.932 1.000 0.826 CB 1.448 24 residues pruned to eliminate duplicates Z: 22 21.378 2.154 0.665 0.405 0.952 0.571 CB 1.509 23 residues pruned to eliminate duplicates Z: 28 48.892 2.003 1.225 0.932 0.963 0.963 CB 1.531 27 residues pruned to eliminate duplicates Z: 25 38.195 1.930 0.871 0.858 1.000 0.750 CB 1.590 25 residues pruned to eliminate duplicates Z: 11 11.683 1.935 0.293 0.481 1.000 0.700 CB 1.505 Z: 23 40.171 2.109 1.112 0.944 1.000 0.864 CB 1.331 23 residues pruned to eliminate duplicates Z: 28 48.957 1.987 1.028 0.942 1.000 0.778 CB 1.622 28 residues pruned to eliminate duplicates Z: 21 41.935 2.216 1.090 0.954 1.000 0.650 CB 1.393 21 residues pruned to eliminate duplicates Z: 29 44.830 1.909 1.238 0.918 0.964 0.750 CB 1.451 29 residues pruned to eliminate duplicates Z: 9 8.615 1.837 0.749 0.489 0.625 0.500 CB 1.533 Z: 7 5.394 1.759 0.192 0.663 0.833 0.667 CB 1.084 7 residues pruned to eliminate duplicates Z: 72 42.089 2.081 0.702 0.513 0.915 0.634 CB 1.521 75 residues pruned to eliminate duplicates Z: 49 42.464 2.013 0.717 0.657 0.979 0.729 CB 1.565 49 residues pruned to eliminate duplicates Z: 10 13.439 1.966 0.740 0.447 0.889 0.333 CB 1.555 10 residues pruned to eliminate duplicates Z: 70 43.722 2.097 0.778 0.541 0.913 0.609 CB 1.486 70 residues pruned to eliminate duplicates Z: 70 43.926 2.102 0.764 0.542 0.928 0.594 CB 1.475 70 residues pruned to eliminate duplicates Z: 12 14.284 1.960 0.707 0.463 0.909 0.545 CB 1.471 12 residues pruned to eliminate duplicates Z: 53 37.076 2.057 0.862 0.527 0.923 0.673 CB 1.416 53 residues pruned to eliminate duplicates Z: 23 46.745 2.154 1.199 0.921 1.000 0.682 CB 1.481 23 residues pruned to eliminate duplicates Z: 27 50.934 2.048 1.146 0.942 1.000 0.885 CB 1.576 27 residues pruned to eliminate duplicates Z: 28 44.492 1.990 0.877 0.898 1.000 0.926 CA 1.640 28 residues pruned to eliminate duplicates Z: 52 30.921 2.075 0.738 0.472 0.843 0.608 CB 1.465 52 residues pruned to eliminate duplicates Z: 17 12.562 1.830 0.853 0.468 0.875 0.750 CB 1.094 Z: 7 13.253 1.806 0.838 0.832 1.000 0.833 N 1.224 7 residues pruned to eliminate duplicates Z: 14 11.533 1.620 0.293 0.905 0.923 0.769 CB 1.177 Z: 22 41.329 2.191 1.149 0.914 0.952 0.810 CB 1.422 22 residues pruned to eliminate duplicates Z: 29 46.074 1.973 0.944 0.955 1.000 0.893 CB 1.560 29 residues pruned to eliminate duplicates Z: 65 43.801 2.126 0.743 0.553 0.938 0.594 CB 1.497 66 residues pruned to eliminate duplicates Z: 9 10.243 1.970 0.704 0.598 0.750 0.750 CB 1.310 9 residues pruned to eliminate duplicates Z: 51 36.060 2.042 0.643 0.559 0.980 0.720 CB 1.465 51 residues pruned to eliminate duplicates Z: 22 40.260 2.071 0.848 0.885 1.000 0.905 CB 1.657 23 residues pruned to eliminate duplicates Z: 23 45.133 2.151 1.146 0.942 1.000 0.818 CB 1.446 23 residues pruned to eliminate duplicates Z: 47 32.188 2.026 0.978 0.605 0.891 0.478 CB 1.202 48 residues pruned to eliminate duplicates Z: 11 14.541 2.011 0.931 0.656 0.700 0.600 CA 1.463 11 residues pruned to eliminate duplicates Z: 6 7.923 1.602 0.795 0.747 0.800 0.600 CA 1.235 6 residues pruned to eliminate duplicates Z: 12 21.044 1.876 1.053 0.722 0.909 0.636 N 1.483 12 residues pruned to eliminate duplicates Z: 8 5.255 1.718 1.190 0.345 0.429 0.429 O 1.457 Z: 7 15.681 1.988 0.708 0.844 1.000 0.833 CA 1.402 7 residues pruned to eliminate duplicates Z: 27 48.558 2.011 1.164 0.930 0.962 0.769 CB 1.591 27 residues pruned to eliminate duplicates Z: 20 13.642 1.968 0.691 0.578 0.895 0.789 CB 0.975 21 residues pruned to eliminate duplicates Z: 11 18.111 1.864 0.914 0.809 0.800 0.700 CA 1.532 11 residues pruned to eliminate duplicates Z: 52 29.649 2.106 0.377 0.520 0.941 0.490 CB 1.491 52 residues pruned to eliminate duplicates Z: 7 4.646 1.582 -0.018 0.748 0.833 0.667 CB 1.174 Z: 15 9.275 1.720 0.604 0.418 0.714 0.429 N 1.370 9 residues pruned to eliminate duplicates Z: 11 8.263 1.766 0.779 0.442 0.700 0.600 O 1.261 11 residues pruned to eliminate duplicates Z: 21 44.755 2.098 1.229 0.896 0.950 0.700 CB 1.613 21 residues pruned to eliminate duplicates Z: 50 36.008 2.014 0.600 0.639 0.939 0.776 CB 1.493 50 residues pruned to eliminate duplicates Z: 11 22.265 2.131 0.541 0.791 1.000 0.700 N 1.661 11 residues pruned to eliminate duplicates Z: 11 13.501 2.046 0.307 0.771 0.800 0.600 N 1.570 11 residues pruned to eliminate duplicates Z: 27 44.020 2.016 0.935 0.936 0.962 0.962 CA 1.603 27 residues pruned to eliminate duplicates Z: 33 30.523 2.023 0.965 0.692 0.906 0.469 CB 1.256 33 residues pruned to eliminate duplicates Z: 37 24.535 2.101 0.730 0.464 0.806 0.556 CB 1.448 37 residues pruned to eliminate duplicates Z: 11 5.561 1.703 0.848 0.399 0.700 0.400 CB 0.888 Z: 7 5.782 1.701 0.553 0.507 0.833 0.500 CB 1.064 Z: 28 48.602 2.008 1.081 0.937 0.963 0.926 CB 1.618 28 residues pruned to eliminate duplicates Z: 10 25.016 2.157 0.829 0.765 1.000 0.556 CA 1.671 10 residues pruned to eliminate duplicates Z: 27 42.490 2.009 0.875 0.925 0.923 0.885 CA 1.681 27 residues pruned to eliminate duplicates Z: 33 28.069 2.158 0.630 0.498 0.969 0.562 CB 1.459 33 residues pruned to eliminate duplicates Z: 29 43.110 1.956 1.009 0.915 0.964 0.857 CB 1.519 29 residues pruned to eliminate duplicates Z: 28 50.436 2.005 1.087 0.933 1.000 0.926 CB 1.619 28 residues pruned to eliminate duplicates Z: 29 26.380 1.964 0.892 0.612 0.857 0.643 CB 1.407 29 residues pruned to eliminate duplicates Z: 27 42.202 1.999 0.916 0.914 0.962 0.808 CA 1.589 27 residues pruned to eliminate duplicates Z: 24 40.024 1.994 1.057 0.886 0.957 0.739 CB 1.534 24 residues pruned to eliminate duplicates Z: 66 42.249 2.074 0.805 0.537 0.938 0.615 CB 1.438 67 residues pruned to eliminate duplicates Z: 11 22.811 2.017 0.945 0.617 1.000 0.600 CB 1.647 11 residues pruned to eliminate duplicates Z: 12 23.867 1.939 0.941 0.781 1.000 0.818 CB 1.493 12 residues pruned to eliminate duplicates Z: 31 28.959 2.169 0.669 0.527 0.933 0.633 CB 1.523 31 residues pruned to eliminate duplicates Z: 23 33.289 2.006 0.850 0.863 0.864 0.682 CB 1.625 23 residues pruned to eliminate duplicates Z: 47 36.171 2.107 0.700 0.547 0.913 0.696 CB 1.557 47 residues pruned to eliminate duplicates Z: 13 22.204 1.976 0.864 0.758 0.917 0.583 CA 1.508 13 residues pruned to eliminate duplicates Z: 11 6.168 1.770 0.492 0.397 0.700 0.500 CB 1.176 Z: 27 41.453 2.018 0.822 0.932 0.962 0.846 CA 1.606 27 residues pruned to eliminate duplicates Z: 7 13.752 1.998 0.864 0.723 1.000 0.833 CB 1.233 Z: 9 8.156 1.873 0.585 0.445 0.750 0.625 CB 1.370 9 residues pruned to eliminate duplicates Z: 19 7.347 1.838 0.220 0.232 0.833 0.389 CB 1.266 19 residues pruned to eliminate duplicates Z: 42 32.891 2.011 0.590 0.556 0.951 0.659 CB 1.600 42 residues pruned to eliminate duplicates Z: 11 11.984 1.858 0.858 0.427 0.900 0.500 CB 1.316 10 residues pruned to eliminate duplicates Z: 50 29.575 2.053 0.491 0.490 0.939 0.531 CB 1.484 50 residues pruned to eliminate duplicates Z: 50 36.522 2.084 0.634 0.553 0.980 0.592 CB 1.487 50 residues pruned to eliminate duplicates Z: 28 48.444 1.990 1.113 0.920 0.963 0.889 CB 1.622 28 residues pruned to eliminate duplicates Z: 23 33.253 2.129 0.567 0.936 1.000 0.909 CB 1.480 23 residues pruned to eliminate duplicates Z: 32 36.646 2.148 0.786 0.681 0.903 0.742 CB 1.609 32 residues pruned to eliminate duplicates Z: 47 34.318 2.140 0.622 0.507 0.957 0.630 CB 1.513 47 residues pruned to eliminate duplicates Z: 6 4.929 1.687 -0.013 0.748 0.800 0.600 N 1.326 6 residues pruned to eliminate duplicates Z: 36 31.368 2.052 0.616 0.491 0.971 0.629 CB 1.660 36 residues pruned to eliminate duplicates Z: 13 20.015 1.881 0.741 0.858 0.917 0.583 CB 1.418 13 residues pruned to eliminate duplicates Z: 20 17.390 2.025 0.719 0.510 0.842 0.474 CB 1.347 20 residues pruned to eliminate duplicates Z: 24 44.735 2.042 1.281 0.934 1.000 0.783 CB 1.397 24 residues pruned to eliminate duplicates Z: 44 31.217 2.068 0.697 0.524 0.930 0.651 CB 1.425 44 residues pruned to eliminate duplicates Z: 7 13.803 2.102 0.814 0.665 0.833 0.833 CB 1.523 Z: 10 13.371 1.748 0.352 0.812 1.000 0.556 CB 1.438 11 residues pruned to eliminate duplicates Z: 27 41.826 1.988 0.877 0.911 1.000 0.962 CB 1.557 27 residues pruned to eliminate duplicates Z: 28 52.463 1.987 1.269 0.936 1.000 0.778 CB 1.559 28 residues pruned to eliminate duplicates Z: 28 40.162 2.003 0.650 0.906 1.000 0.963 CA 1.664 28 residues pruned to eliminate duplicates Z: 23 33.279 2.125 0.740 0.908 0.955 0.727 CB 1.428 23 residues pruned to eliminate duplicates Z: 6 2.648 2.035 0.709 0.813 1.000 0.600 CB 0.259 Z: 6 7.971 1.760 0.683 0.670 0.800 0.800 CB 1.286 6 residues pruned to eliminate duplicates Z: 62 33.470 2.036 0.591 0.460 0.918 0.623 CB 1.501 69 residues pruned to eliminate duplicates Z: 8 10.915 1.743 0.619 0.693 1.000 0.571 CB 1.226 9 residues pruned to eliminate duplicates Z: 6 3.326 1.562 -0.001 0.757 0.600 0.600 O 1.264 6 residues pruned to eliminate duplicates Z: 22 13.520 1.919 0.364 0.425 0.857 0.571 CB 1.422 22 residues pruned to eliminate duplicates Z: 10 5.711 1.796 0.159 0.474 0.778 0.444 CB 1.206 10 residues pruned to eliminate duplicates Z: 13 9.267 1.466 0.579 0.814 0.917 0.583 CB 0.959 12 residues pruned to eliminate duplicates Z: 12 11.894 1.738 0.702 0.851 0.818 0.455 N 1.096 12 residues pruned to eliminate duplicates Z: 8 12.879 1.948 0.276 0.710 1.000 0.714 CB 1.618 Z: 51 40.189 2.012 0.749 0.663 0.900 0.720 CB 1.543 51 residues pruned to eliminate duplicates Z: 52 32.202 2.109 0.436 0.495 0.941 0.588 CB 1.591 52 residues pruned to eliminate duplicates Z: 8 12.149 1.670 0.771 0.701 1.000 0.429 CB 1.293 8 residues pruned to eliminate duplicates Z: 19 7.054 1.813 0.609 0.292 0.833 0.556 CB 0.863 19 residues pruned to eliminate duplicates Z: 7 8.176 1.782 0.948 0.798 0.833 0.500 CB 0.889 7 residues pruned to eliminate duplicates Z: 12 7.666 1.891 0.383 0.407 0.727 0.636 CB 1.340 7 residues pruned to eliminate duplicates Z: 10 13.576 1.750 0.365 0.913 1.000 0.889 CB 1.340 10 residues pruned to eliminate duplicates Z: 53 38.640 2.129 0.642 0.545 0.981 0.712 CB 1.495 53 residues pruned to eliminate duplicates Z: 27 44.889 2.013 0.999 0.909 0.962 0.769 CB 1.614 27 residues pruned to eliminate duplicates Z: 35 40.200 2.139 0.778 0.707 0.912 0.676 CB 1.646 35 residues pruned to eliminate duplicates Z: 7 6.791 1.892 0.539 0.564 0.833 0.667 CB 1.074 Z: 13 8.275 1.864 0.577 0.253 0.833 0.417 CB 1.295 13 residues pruned to eliminate duplicates Z: 27 54.275 2.068 1.105 0.951 1.000 0.923 CB 1.686 27 residues pruned to eliminate duplicates Z: 25 43.044 1.986 1.387 0.910 1.000 0.667 CB 1.314 25 residues pruned to eliminate duplicates Z: 8 11.543 1.744 0.265 0.860 1.000 0.857 CB 1.455 8 residues pruned to eliminate duplicates Z: 73 38.469 2.050 0.662 0.503 0.917 0.611 CB 1.447 73 residues pruned to eliminate duplicates Z: 6 7.590 1.885 0.922 0.279 0.800 0.800 CA 1.503 6 residues pruned to eliminate duplicates Z: 15 10.580 1.957 0.764 0.517 0.714 0.643 CB 1.127 15 residues pruned to eliminate duplicates Z: 16 13.559 1.889 0.706 0.498 0.933 0.600 CB 1.166 16 residues pruned to eliminate duplicates Z: 10 10.078 1.841 0.584 0.479 1.000 0.556 CB 1.177 10 residues pruned to eliminate duplicates Z: 22 41.341 2.087 0.957 0.888 0.952 0.857 CB 1.671 22 residues pruned to eliminate duplicates Z: 7 3.208 1.511 0.205 0.471 0.667 0.667 CA 1.112 Z: 36 27.646 2.113 0.715 0.499 0.914 0.629 CB 1.412 36 residues pruned to eliminate duplicates Z: 21 14.395 1.810 0.482 0.552 0.900 0.800 CB 1.268 21 residues pruned to eliminate duplicates Z: 33 39.902 2.113 1.078 0.755 0.938 0.781 CB 1.365 33 residues pruned to eliminate duplicates Z: 10 10.505 1.832 0.397 0.599 1.000 0.889 CB 1.246 10 residues pruned to eliminate duplicates Z: 6 8.745 1.786 0.692 0.762 0.800 0.800 C 1.281 6 residues pruned to eliminate duplicates Z: 7 9.065 1.732 0.745 0.789 0.833 0.833 N 1.140 7 residues pruned to eliminate duplicates Z: 58 40.899 2.135 0.802 0.530 0.930 0.632 CB 1.471 58 residues pruned to eliminate duplicates Z: 7 3.789 1.909 0.092 0.379 0.667 0.500 CB 1.266 Z: 6 5.598 1.849 -0.081 0.560 1.000 0.800 O 1.390 7 residues pruned to eliminate duplicates Z: 7 12.883 1.832 0.572 0.710 1.000 0.667 CA 1.509 7 residues pruned to eliminate duplicates 6 0.899 1.440 1.041 0.441 0.600 0.600 CB 0.242 ? Z: 9 2.928 1.590 0.327 0.312 0.625 0.250 CB 0.967 Z: 6 5.439 1.870 0.500 0.619 0.800 0.400 CB 0.969 Z: 8 12.587 1.982 0.976 0.592 0.857 0.571 CB 1.297 Z: 19 20.003 2.028 0.870 0.421 0.889 0.500 CA 1.519 19 residues pruned to eliminate duplicates Z: 12 6.893 1.919 0.680 0.300 0.727 0.455 CB 1.108 12 residues pruned to eliminate duplicates Z: 25 35.077 2.024 1.020 0.676 0.875 0.583 CB 1.702 25 residues pruned to eliminate duplicates Z: 12 22.191 2.003 0.944 0.603 1.000 0.727 CB 1.558 Z: 7 7.456 1.603 0.587 0.810 0.833 0.833 CB 1.096 7 residues pruned to eliminate duplicates Z: 19 29.413 2.168 0.954 0.651 0.944 0.611 CB 1.506 19 residues pruned to eliminate duplicates Z: 67 44.707 2.124 0.763 0.534 0.955 0.621 CB 1.489 67 residues pruned to eliminate duplicates Z: 9 5.820 1.667 0.665 0.482 0.750 0.250 CB 1.007 Z: 7 9.079 1.583 0.802 0.792 1.000 0.667 CB 1.006 Z: 7 3.850 1.952 0.555 0.545 0.833 0.500 CB 0.595 7 residues pruned to eliminate duplicates Z: 17 9.014 1.812 0.257 0.463 0.875 0.750 CB 1.175 8 residues pruned to eliminate duplicates Z: 6 3.424 1.213 0.579 0.596 0.800 0.800 N 0.911 6 1.146 1.386 0.272 0.299 0.400 0.400 CB 0.909 ? Z: 60 40.511 2.124 0.650 0.563 0.932 0.644 CB 1.518 60 residues pruned to eliminate duplicates Z: 9 15.374 2.061 0.897 0.565 0.875 0.625 CB 1.492 9 residues pruned to eliminate duplicates Z: 6 4.590 1.770 0.499 0.317 0.800 0.400 CB 1.184 Z: 15 11.694 1.611 0.319 0.813 1.000 0.429 CB 1.120 15 residues pruned to eliminate duplicates Z: 24 37.903 1.952 1.010 0.888 0.957 0.609 CB 1.517 24 residues pruned to eliminate duplicates Z: 6 2.150 1.421 0.538 0.301 0.800 0.400 N 0.687 Z: 12 10.068 1.711 0.481 0.521 0.818 0.727 N 1.434 12 residues pruned to eliminate duplicates Z: 16 15.255 1.838 0.496 0.473 0.933 0.533 CB 1.577 16 residues pruned to eliminate duplicates Z: 6 2.303 1.286 0.215 0.544 0.800 0.600 N 0.790 Z: 25 46.173 2.049 1.050 0.927 0.958 0.792 CB 1.641 25 residues pruned to eliminate duplicates Z: 7 10.118 1.695 0.690 0.722 1.000 0.667 CB 1.180 Z: 34 40.449 2.103 1.149 0.761 0.909 0.727 CB 1.359 34 residues pruned to eliminate duplicates Z: 6 4.816 1.827 0.534 0.674 0.600 0.600 CB 1.091 Z: 23 19.540 2.056 0.447 0.469 0.909 0.636 CB 1.590 23 residues pruned to eliminate duplicates Z: 11 14.079 1.727 0.462 0.884 1.000 0.900 CB 1.274 11 residues pruned to eliminate duplicates Z: 6 2.601 1.741 0.307 0.391 0.800 0.600 CB 0.717 6 1.801 1.286 0.552 0.411 0.800 0.400 N 0.553 ? Z: 28 44.758 1.944 1.288 0.904 0.926 0.630 CB 1.490 28 residues pruned to eliminate duplicates Z: 10 17.627 1.903 0.747 0.602 1.000 0.556 N 1.605 10 residues pruned to eliminate duplicates Z: 12 11.324 1.671 0.308 0.699 0.909 0.636 CB 1.432 9 residues pruned to eliminate duplicates Z: 13 12.041 1.613 0.500 0.892 0.833 0.750 CB 1.239 13 residues pruned to eliminate duplicates Z: 10 13.719 1.874 0.507 0.591 1.000 1.000 CB 1.484 10 residues pruned to eliminate duplicates Z: 13 6.985 1.259 0.709 0.873 1.000 0.833 CB 0.682 Z: 7 3.027 1.966 -0.020 0.434 0.833 0.833 CB 0.825 7 residues pruned to eliminate duplicates Z: 26 44.001 1.986 1.068 0.812 0.960 0.680 CB 1.701 26 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 10 11.832 1.698 0.368 0.684 1.000 0.889 CA 1.433 10 residues pruned to eliminate duplicates Z: 10 11.245 1.627 0.548 0.696 1.000 0.667 CB 1.244 10 residues pruned to eliminate duplicates Z: 11 13.901 1.827 0.305 0.796 1.000 0.800 CB 1.422 11 residues pruned to eliminate duplicates Z: 11 13.649 1.686 0.464 0.770 1.000 0.700 CB 1.377 11 residues pruned to eliminate duplicates Z: 11 11.764 1.670 0.587 0.700 0.900 0.500 CB 1.300 11 residues pruned to eliminate duplicates Z: 12 11.478 1.708 0.355 0.607 1.000 0.545 CB 1.351 12 residues pruned to eliminate duplicates Z: 13 13.375 1.625 0.411 0.865 1.000 0.750 CB 1.233 14 residues pruned to eliminate duplicates Z: 13 11.188 1.617 0.522 0.828 0.833 0.583 CB 1.186 13 residues pruned to eliminate duplicates Z: 13 10.343 1.629 0.406 0.807 0.917 0.500 CB 1.089 13 residues pruned to eliminate duplicates Z: 14 13.334 1.639 0.671 0.789 0.923 0.385 CB 1.135 14 residues pruned to eliminate duplicates Z: 14 13.231 1.686 0.689 0.784 0.846 0.615 CB 1.186 14 residues pruned to eliminate duplicates Z: 14 11.460 1.621 0.753 0.762 0.846 0.462 CB 1.048 14 residues pruned to eliminate duplicates Z: 19 25.110 2.229 0.817 0.443 1.000 0.444 CB 1.550 19 residues pruned to eliminate duplicates Z: 26 16.996 2.037 0.896 0.333 0.840 0.440 CB 1.257 26 residues pruned to eliminate duplicates Z: 56 47.938 2.173 0.913 0.588 0.873 0.564 CB 1.638 56 residues pruned to eliminate duplicates Z: 21 25.087 2.166 0.867 0.475 0.900 0.600 CB 1.582 21 residues pruned to eliminate duplicates Z: 22 20.805 2.060 0.833 0.405 0.905 0.524 CB 1.469 22 residues pruned to eliminate duplicates Z: 17 19.630 2.122 0.776 0.361 0.875 0.625 CB 1.729 17 residues pruned to eliminate duplicates Z: 20 22.462 2.154 0.799 0.461 0.947 0.632 CB 1.461 20 residues pruned to eliminate duplicates Z: 16 26.370 2.276 0.876 0.461 1.000 0.600 CB 1.659 16 residues pruned to eliminate duplicates Z: 20 27.225 2.234 0.921 0.429 0.947 0.579 CB 1.653 20 residues pruned to eliminate duplicates Z: 20 30.150 2.200 0.902 0.508 1.000 0.632 CB 1.641 20 residues pruned to eliminate duplicates Z: 19 32.029 2.285 0.868 0.524 1.000 0.722 CB 1.726 19 residues pruned to eliminate duplicates Z: 22 19.568 2.022 0.643 0.378 0.905 0.524 CB 1.619 22 residues pruned to eliminate duplicates Z: 20 17.874 2.113 0.868 0.364 0.789 0.474 CB 1.523 20 residues pruned to eliminate duplicates Z: 22 19.227 2.094 0.741 0.332 0.905 0.571 CB 1.529 22 residues pruned to eliminate duplicates Z: 21 24.751 2.177 0.888 0.418 0.900 0.700 CB 1.629 21 residues pruned to eliminate duplicates Z: 51 53.420 2.224 0.951 0.635 0.940 0.680 CB 1.632 51 residues pruned to eliminate duplicates Z: 24 21.493 2.179 0.850 0.408 0.870 0.609 CB 1.409 24 residues pruned to eliminate duplicates Z: 48 46.370 2.218 0.996 0.553 0.915 0.681 CB 1.585 48 residues pruned to eliminate duplicates Z: 44 46.080 2.156 0.825 0.667 0.953 0.628 CB 1.605 44 residues pruned to eliminate duplicates Z: 34 34.778 2.212 0.884 0.465 0.909 0.576 CB 1.657 34 residues pruned to eliminate duplicates Z: 40 47.019 2.227 0.848 0.695 0.923 0.692 CB 1.659 40 residues pruned to eliminate duplicates Z: 38 47.505 2.252 0.904 0.665 0.919 0.703 CB 1.701 38 residues pruned to eliminate duplicates Z: 34 50.695 2.195 1.100 0.744 0.939 0.727 CB 1.639 34 residues pruned to eliminate duplicates Z: 13 16.193 1.807 0.912 0.533 0.917 0.417 N 1.429 13 residues pruned to eliminate duplicates Z: 35 46.165 2.184 0.918 0.743 0.941 0.618 CB 1.615 35 residues pruned to eliminate duplicates Z: 20 30.690 2.212 0.859 0.490 1.000 0.632 CB 1.730 20 residues pruned to eliminate duplicates Z: 41 42.863 2.186 0.925 0.656 0.900 0.525 CB 1.547 41 residues pruned to eliminate duplicates Z: 38 45.036 2.235 0.926 0.653 0.919 0.676 CB 1.623 38 residues pruned to eliminate duplicates Z: 42 39.308 2.134 0.838 0.660 0.902 0.561 CB 1.496 42 residues pruned to eliminate duplicates Z: 22 28.053 2.047 1.199 0.484 0.905 0.571 CB 1.527 22 residues pruned to eliminate duplicates Z: 34 47.927 2.219 0.964 0.758 0.909 0.697 CB 1.674 34 residues pruned to eliminate duplicates Z: 43 47.080 2.147 0.937 0.625 0.952 0.571 CB 1.631 43 residues pruned to eliminate duplicates Z: 40 47.922 2.234 0.968 0.685 0.897 0.641 CB 1.640 40 residues pruned to eliminate duplicates Z: 38 45.009 2.223 0.800 0.692 0.946 0.703 CB 1.640 38 residues pruned to eliminate duplicates Z: 22 32.865 2.172 0.782 0.738 0.905 0.619 CB 1.655 22 residues pruned to eliminate duplicates Z: 21 38.639 2.181 1.002 0.762 0.950 0.650 CB 1.650 21 residues pruned to eliminate duplicates Z: 38 40.087 2.102 0.960 0.678 0.865 0.568 CB 1.570 38 residues pruned to eliminate duplicates Z: 54 49.326 2.174 1.039 0.565 0.906 0.585 CB 1.586 53 residues pruned to eliminate duplicates Z: 22 41.475 2.025 0.916 0.893 1.000 0.810 CB 1.675 22 residues pruned to eliminate duplicates Z: 26 38.041 2.098 0.973 0.726 0.920 0.720 CB 1.630 26 residues pruned to eliminate duplicates Z: 38 50.565 2.241 1.015 0.677 0.973 0.649 CB 1.607 38 residues pruned to eliminate duplicates Z: 56 50.793 2.174 0.965 0.624 0.891 0.673 CB 1.601 56 residues pruned to eliminate duplicates Z: 32 40.292 2.168 1.062 0.706 0.871 0.613 CB 1.541 32 residues pruned to eliminate duplicates Z: 55 54.219 2.219 0.950 0.616 0.944 0.593 CB 1.617 55 residues pruned to eliminate duplicates Z: 52 51.348 2.196 0.995 0.566 0.941 0.647 CB 1.635 52 residues pruned to eliminate duplicates Z: 53 47.268 2.179 0.990 0.576 0.923 0.615 CB 1.523 53 residues pruned to eliminate duplicates Z: 23 40.412 2.127 0.995 0.814 0.955 0.727 CB 1.619 23 residues pruned to eliminate duplicates Z: 37 44.698 2.196 0.905 0.647 0.944 0.750 CB 1.645 37 residues pruned to eliminate duplicates Z: 36 49.548 2.204 1.122 0.731 0.914 0.714 CB 1.591 36 residues pruned to eliminate duplicates Z: 22 38.387 2.177 0.988 0.801 0.905 0.667 CB 1.644 22 residues pruned to eliminate duplicates Z: 53 53.368 2.178 1.069 0.593 0.942 0.673 CB 1.594 53 residues pruned to eliminate duplicates Z: 16 9.202 1.719 0.642 0.421 0.933 0.600 CB 0.980 14 residues pruned to eliminate duplicates Z: 7 11.853 1.817 0.524 0.767 1.000 0.667 CA 1.380 7 residues pruned to eliminate duplicates Z: 16 8.633 1.793 0.400 0.423 0.933 0.600 CB 1.030 17 residues pruned to eliminate duplicates Z: 9 9.112 1.913 0.404 0.498 0.875 0.375 N 1.374 10 residues pruned to eliminate duplicates Z: 7 8.532 1.981 0.750 0.485 0.667 0.333 CB 1.530 7 residues pruned to eliminate duplicates Z: 16 13.235 1.932 0.665 0.542 0.867 0.800 CB 1.176 16 residues pruned to eliminate duplicates Z: 16 15.756 1.892 0.848 0.576 0.933 0.800 CB 1.158 15 residues pruned to eliminate duplicates Z: 8 4.660 1.593 1.135 0.302 0.571 0.286 N 1.130 8 residues pruned to eliminate duplicates Z: 15 13.945 1.964 0.845 0.545 0.929 0.714 CB 1.060 15 residues pruned to eliminate duplicates Z: 16 15.462 1.961 0.942 0.508 0.933 0.600 CB 1.114 17 residues pruned to eliminate duplicates Z: 6 5.094 1.413 0.458 0.813 1.000 0.800 CB 0.842 6 residues pruned to eliminate duplicates Z: 6 3.131 1.332 0.499 0.620 0.600 0.600 N 1.044 6 residues pruned to eliminate duplicates Z: 8 4.893 1.344 0.382 0.774 1.000 0.571 CB 0.781 8 residues pruned to eliminate duplicates Z: 10 4.764 1.403 0.256 0.639 0.889 0.556 CB 0.891 9 residues pruned to eliminate duplicates Z: 10 5.651 1.312 0.375 0.834 0.889 0.444 CB 0.881 10 residues pruned to eliminate duplicates Z: 10 4.780 1.383 0.458 0.612 0.889 0.556 CB 0.799 10 residues pruned to eliminate duplicates Z: 12 8.972 1.311 0.643 0.834 1.000 0.818 CB 0.942 14 residues pruned to eliminate duplicates Z: 12 7.056 1.349 0.443 0.883 1.000 0.909 CB 0.791 12 residues pruned to eliminate duplicates Z: 13 6.611 1.295 0.481 0.757 0.917 0.750 CB 0.863 13 residues pruned to eliminate duplicates Z: 24 28.915 2.141 0.740 0.794 0.870 0.739 CB 1.438 24 residues pruned to eliminate duplicates Z: 13 15.862 2.120 0.515 0.765 0.917 0.833 CB 1.230 13 residues pruned to eliminate duplicates Z: 23 31.384 2.179 0.794 0.825 0.955 0.773 CB 1.353 23 residues pruned to eliminate duplicates Z: 24 29.611 2.151 0.694 0.817 0.913 0.826 CB 1.409 24 residues pruned to eliminate duplicates Z: 35 35.373 2.109 0.772 0.731 0.971 0.765 CB 1.358 35 residues pruned to eliminate duplicates Z: 23 34.559 2.189 0.696 0.869 0.955 0.636 CB 1.518 23 residues pruned to eliminate duplicates Z: 22 35.986 2.189 0.877 0.884 0.952 0.714 CB 1.450 22 residues pruned to eliminate duplicates Z: 21 41.520 2.229 1.135 0.915 0.950 0.900 CB 1.452 21 residues pruned to eliminate duplicates Z: 32 27.122 1.950 1.062 0.586 0.806 0.677 CB 1.384 32 residues pruned to eliminate duplicates Z: 22 40.861 2.220 1.205 0.888 0.952 0.810 CB 1.378 22 residues pruned to eliminate duplicates Z: 25 40.040 2.189 1.133 0.807 0.917 0.750 CB 1.461 25 residues pruned to eliminate duplicates Z: 23 40.465 2.232 1.168 0.874 0.955 0.909 CB 1.359 23 residues pruned to eliminate duplicates Z: 22 37.912 2.226 1.094 0.869 0.952 0.857 CB 1.362 22 residues pruned to eliminate duplicates Z: 23 41.485 2.226 1.167 0.867 0.955 0.682 CB 1.405 23 residues pruned to eliminate duplicates Z: 33 42.437 2.164 1.045 0.771 0.969 0.750 CB 1.377 33 residues pruned to eliminate duplicates Z: 92 50.515 2.097 0.746 0.605 0.945 0.648 CB 1.386 92 residues pruned to eliminate duplicates Z: 51 37.722 2.025 0.892 0.685 0.880 0.740 CB 1.336 51 residues pruned to eliminate duplicates Z: 24 32.968 2.151 1.120 0.811 0.957 0.739 CB 1.203 24 residues pruned to eliminate duplicates Z: 57 32.121 2.008 0.847 0.584 0.857 0.661 CB 1.245 57 residues pruned to eliminate duplicates Z: 30 32.500 2.142 1.008 0.763 0.897 0.690 CB 1.239 30 residues pruned to eliminate duplicates Z: 32 42.724 2.170 1.078 0.794 0.968 0.871 CB 1.359 32 residues pruned to eliminate duplicates Z: 41 40.637 2.135 0.955 0.694 0.925 0.650 CB 1.394 41 residues pruned to eliminate duplicates Z: 34 46.339 2.155 1.071 0.788 1.000 0.788 CB 1.404 34 residues pruned to eliminate duplicates Z: 42 36.671 2.120 0.843 0.696 0.927 0.732 CB 1.323 42 residues pruned to eliminate duplicates Z: 34 39.803 2.116 1.106 0.736 0.970 0.576 CB 1.297 34 residues pruned to eliminate duplicates Z: 33 44.590 2.133 1.172 0.745 1.000 0.750 CB 1.366 33 residues pruned to eliminate duplicates Z: 33 39.996 2.155 1.063 0.775 0.938 0.781 CB 1.330 33 residues pruned to eliminate duplicates Z: 35 38.024 2.104 1.212 0.724 0.912 0.676 CB 1.256 35 residues pruned to eliminate duplicates Z: 11 13.187 1.967 0.647 0.521 0.900 0.800 CB 1.401 11 residues pruned to eliminate duplicates Z: 60 53.441 2.194 1.110 0.630 0.932 0.678 CB 1.428 60 residues pruned to eliminate duplicates Z: 36 24.036 1.991 0.973 0.584 0.829 0.514 CB 1.152 36 residues pruned to eliminate duplicates Z: 24 16.635 1.762 0.672 0.449 0.913 0.565 CB 1.359 24 residues pruned to eliminate duplicates Z: 44 31.913 2.012 0.983 0.624 0.907 0.628 CB 1.196 44 residues pruned to eliminate duplicates Z: 44 34.983 2.079 1.042 0.687 0.884 0.674 CB 1.198 44 residues pruned to eliminate duplicates Z: 32 27.321 2.089 0.841 0.527 0.871 0.516 CB 1.427 32 residues pruned to eliminate duplicates Z: 20 21.843 2.125 0.645 0.621 0.895 0.737 CB 1.430 20 residues pruned to eliminate duplicates Z: 11 12.979 1.990 0.709 0.531 0.900 0.800 CB 1.300 11 residues pruned to eliminate duplicates Z: 44 37.265 2.090 0.983 0.637 0.930 0.628 CB 1.296 44 residues pruned to eliminate duplicates Z: 35 23.379 2.026 0.699 0.486 0.824 0.618 CB 1.435 35 residues pruned to eliminate duplicates Z: 40 37.285 2.083 1.017 0.672 0.923 0.769 CB 1.314 40 residues pruned to eliminate duplicates Z: 11 9.105 1.969 0.442 0.430 0.800 0.500 CB 1.363 11 residues pruned to eliminate duplicates Z: 33 29.189 2.137 0.849 0.518 0.875 0.531 CB 1.466 33 residues pruned to eliminate duplicates Z: 19 20.181 2.122 0.513 0.547 0.889 0.611 CB 1.591 19 residues pruned to eliminate duplicates Z: 19 16.117 2.016 0.711 0.393 0.833 0.278 CB 1.480 19 residues pruned to eliminate duplicates Z: 67 48.603 2.125 0.940 0.584 0.939 0.652 CB 1.425 67 residues pruned to eliminate duplicates Z: 37 23.006 2.011 0.727 0.461 0.861 0.556 CB 1.334 37 residues pruned to eliminate duplicates Z: 33 25.198 2.101 0.780 0.458 0.844 0.531 CB 1.474 33 residues pruned to eliminate duplicates Z: 69 37.253 2.088 0.618 0.536 0.868 0.632 CB 1.488 69 residues pruned to eliminate duplicates Z: 36 27.385 2.109 0.691 0.476 0.914 0.600 CB 1.455 36 residues pruned to eliminate duplicates Z: 26 20.068 1.993 0.798 0.487 0.840 0.560 CB 1.351 26 residues pruned to eliminate duplicates Z: 6 14.830 2.302 0.822 0.544 0.800 0.600 CA 1.892 6 residues pruned to eliminate duplicates Z: 60 36.750 2.097 0.592 0.564 0.898 0.678 CB 1.499 60 residues pruned to eliminate duplicates Z: 24 25.678 2.064 0.684 0.555 0.957 0.739 CB 1.527 24 residues pruned to eliminate duplicates Z: 20 14.674 2.065 0.514 0.345 0.895 0.632 CB 1.423 20 residues pruned to eliminate duplicates Z: 14 17.737 2.160 0.704 0.440 0.923 0.615 CB 1.541 14 residues pruned to eliminate duplicates Z: 14 17.480 2.100 0.676 0.485 1.000 0.692 CB 1.398 14 residues pruned to eliminate duplicates Z: 35 23.649 2.036 0.696 0.442 0.853 0.588 CB 1.461 35 residues pruned to eliminate duplicates Z: 21 20.728 2.136 0.748 0.440 0.900 0.500 CB 1.468 21 residues pruned to eliminate duplicates Z: 15 18.512 2.187 0.888 0.428 0.929 0.643 CB 1.391 15 residues pruned to eliminate duplicates Z: 21 21.731 2.222 0.642 0.485 0.850 0.650 CB 1.591 21 residues pruned to eliminate duplicates Z: 19 21.103 2.206 0.701 0.459 0.889 0.556 CB 1.555 19 residues pruned to eliminate duplicates Z: 14 21.156 2.261 1.029 0.484 0.846 0.692 CB 1.537 14 residues pruned to eliminate duplicates Z: 47 31.603 2.092 0.630 0.518 0.913 0.565 CB 1.469 47 residues pruned to eliminate duplicates Z: 34 27.414 2.118 0.717 0.492 0.848 0.606 CB 1.559 34 residues pruned to eliminate duplicates Z: 22 20.752 2.176 0.750 0.495 0.810 0.524 CB 1.476 22 residues pruned to eliminate duplicates Z: 16 17.517 2.043 0.743 0.453 0.933 0.600 CB 1.427 16 residues pruned to eliminate duplicates Z: 46 31.555 2.123 0.721 0.544 0.844 0.711 CB 1.459 46 residues pruned to eliminate duplicates Z: 52 35.789 2.155 0.606 0.563 0.902 0.686 CB 1.511 52 residues pruned to eliminate duplicates Z: 51 38.183 2.087 0.591 0.571 1.000 0.720 CB 1.519 51 residues pruned to eliminate duplicates Z: 69 45.808 2.121 0.699 0.559 0.941 0.662 CB 1.546 69 residues pruned to eliminate duplicates Z: 52 37.023 2.071 0.641 0.540 0.980 0.686 CB 1.495 52 residues pruned to eliminate duplicates Z: 50 33.862 2.115 0.582 0.539 0.939 0.612 CB 1.482 50 residues pruned to eliminate duplicates Z: 53 43.163 2.162 0.657 0.574 0.981 0.654 CB 1.586 53 residues pruned to eliminate duplicates Z: 34 29.334 2.074 0.635 0.595 0.909 0.727 CB 1.513 34 residues pruned to eliminate duplicates Z: 50 34.740 2.070 0.636 0.564 0.959 0.714 CB 1.436 50 residues pruned to eliminate duplicates Z: 45 40.801 2.141 0.783 0.591 0.977 0.727 CB 1.511 45 residues pruned to eliminate duplicates Z: 72 44.522 2.121 0.777 0.505 0.915 0.648 CB 1.524 72 residues pruned to eliminate duplicates Z: 56 37.722 2.106 0.685 0.556 0.891 0.655 CB 1.524 56 residues pruned to eliminate duplicates Z: 51 34.755 2.073 0.596 0.547 0.940 0.620 CB 1.509 51 residues pruned to eliminate duplicates Z: 44 36.657 2.176 0.716 0.565 0.930 0.698 CB 1.511 44 residues pruned to eliminate duplicates Z: 50 39.884 2.117 0.702 0.557 1.000 0.551 CB 1.496 50 residues pruned to eliminate duplicates Z: 57 39.314 2.101 0.716 0.536 0.911 0.643 CB 1.544 57 residues pruned to eliminate duplicates Z: 46 35.049 2.103 0.623 0.584 0.978 0.711 CB 1.444 46 residues pruned to eliminate duplicates Z: 44 36.740 2.150 0.768 0.512 0.953 0.651 CB 1.528 44 residues pruned to eliminate duplicates Z: 64 38.250 2.079 0.719 0.476 0.905 0.603 CB 1.527 64 residues pruned to eliminate duplicates Z: 35 27.426 2.078 0.574 0.512 0.941 0.588 CB 1.510 35 residues pruned to eliminate duplicates Z: 35 28.908 2.086 0.570 0.501 0.971 0.559 CB 1.558 35 residues pruned to eliminate duplicates Z: 57 41.329 2.149 0.731 0.534 0.929 0.571 CB 1.546 57 residues pruned to eliminate duplicates Z: 67 44.481 2.149 0.753 0.526 0.924 0.682 CB 1.533 67 residues pruned to eliminate duplicates Z: 51 36.401 2.085 0.666 0.516 0.960 0.520 CB 1.520 51 residues pruned to eliminate duplicates Z: 45 39.650 2.142 0.811 0.547 0.977 0.727 CB 1.506 45 residues pruned to eliminate duplicates Z: 36 30.999 2.096 0.702 0.521 0.943 0.657 CB 1.525 36 residues pruned to eliminate duplicates Z: 53 37.104 2.084 0.699 0.527 0.962 0.673 CB 1.471 53 residues pruned to eliminate duplicates Z: 51 38.842 2.097 0.739 0.559 0.960 0.760 CB 1.481 51 residues pruned to eliminate duplicates Z: 57 38.679 2.109 0.672 0.545 0.911 0.625 CB 1.540 57 residues pruned to eliminate duplicates Z: 61 40.137 2.111 0.713 0.520 0.933 0.633 CB 1.506 61 residues pruned to eliminate duplicates Z: 36 33.634 2.107 0.781 0.550 0.914 0.714 CB 1.578 36 residues pruned to eliminate duplicates Z: 56 40.388 2.150 0.680 0.549 0.945 0.673 CB 1.521 56 residues pruned to eliminate duplicates Z: 69 48.610 2.146 0.781 0.563 0.956 0.706 CB 1.517 69 residues pruned to eliminate duplicates Z: 80 52.314 2.069 0.774 0.562 0.924 0.633 CB 1.634 130 residues pruned to eliminate duplicates Z: 7 4.236 1.550 0.704 0.273 0.667 0.333 C 1.270 Z: 9 3.285 1.460 0.549 0.276 0.625 0.125 CB 1.059 9 residues pruned to eliminate duplicates Z: 50 47.803 2.039 0.743 0.664 1.000 0.755 CB 1.651 50 residues pruned to eliminate duplicates Z: 45 43.156 2.077 0.816 0.604 0.932 0.682 CB 1.676 45 residues pruned to eliminate duplicates Z: 50 48.719 2.071 0.783 0.672 0.980 0.735 CB 1.642 50 residues pruned to eliminate duplicates Z: 49 46.698 2.063 0.822 0.667 0.958 0.771 CB 1.604 49 residues pruned to eliminate duplicates Z: 50 39.771 2.035 0.818 0.535 0.939 0.673 CB 1.580 50 residues pruned to eliminate duplicates Z: 47 38.016 2.042 0.786 0.559 0.913 0.652 CB 1.590 47 residues pruned to eliminate duplicates Z: 50 42.806 2.033 0.647 0.660 0.959 0.776 CB 1.642 50 residues pruned to eliminate duplicates Z: 49 45.272 2.061 0.680 0.666 0.958 0.750 CB 1.689 49 residues pruned to eliminate duplicates Z: 33 44.589 2.137 0.857 0.719 0.938 0.875 CB 1.739 33 residues pruned to eliminate duplicates Z: 42 44.661 2.035 0.774 0.722 0.976 0.805 CB 1.621 42 residues pruned to eliminate duplicates Z: 53 39.813 1.989 0.601 0.653 0.923 0.769 CB 1.629 53 residues pruned to eliminate duplicates Z: 34 39.462 2.080 0.903 0.635 0.970 0.788 CB 1.576 34 residues pruned to eliminate duplicates Z: 34 28.774 2.073 0.666 0.488 0.939 0.667 CB 1.562 34 residues pruned to eliminate duplicates Z: 38 36.382 2.035 0.761 0.636 0.919 0.730 CB 1.598 38 residues pruned to eliminate duplicates Z: 43 34.078 1.976 0.655 0.645 0.929 0.786 CB 1.512 43 residues pruned to eliminate duplicates Z: 49 37.835 1.994 0.687 0.631 0.938 0.729 CB 1.532 49 residues pruned to eliminate duplicates Z: 33 40.788 2.109 0.813 0.650 0.969 0.688 CB 1.693 33 residues pruned to eliminate duplicates Z: 50 36.432 2.048 0.555 0.600 0.918 0.633 CB 1.618 50 residues pruned to eliminate duplicates Z: 49 43.128 1.997 0.728 0.710 0.938 0.812 CB 1.590 49 residues pruned to eliminate duplicates Z: 34 32.633 2.038 0.865 0.528 0.879 0.697 CB 1.654 34 residues pruned to eliminate duplicates Z: 42 42.067 2.049 0.700 0.707 0.976 0.805 CB 1.602 42 residues pruned to eliminate duplicates Z: 42 43.001 2.055 0.753 0.724 0.951 0.854 CB 1.601 42 residues pruned to eliminate duplicates Z: 46 39.871 2.068 0.828 0.578 0.911 0.733 CB 1.602 46 residues pruned to eliminate duplicates Z: 32 39.588 2.127 0.818 0.698 0.935 0.935 CB 1.641 32 residues pruned to eliminate duplicates Z: 46 40.289 2.079 0.654 0.594 0.956 0.667 CB 1.670 46 residues pruned to eliminate duplicates Z: 42 37.198 2.082 0.746 0.577 0.878 0.659 CB 1.690 42 residues pruned to eliminate duplicates Z: 46 40.824 2.057 0.773 0.606 0.911 0.689 CB 1.656 46 residues pruned to eliminate duplicates Z: 41 44.766 2.068 0.960 0.649 0.975 0.650 CB 1.559 41 residues pruned to eliminate duplicates Z: 44 43.672 2.045 0.897 0.655 0.953 0.674 CB 1.559 51 residues pruned to eliminate duplicates Z: 31 46.199 1.973 1.010 0.856 0.967 0.833 CB 1.622 31 residues pruned to eliminate duplicates Z: 35 49.546 2.040 1.069 0.769 0.971 0.794 CB 1.635 35 residues pruned to eliminate duplicates Z: 62 42.891 1.993 0.879 0.576 0.918 0.623 CB 1.484 62 residues pruned to eliminate duplicates Z: 24 51.594 2.096 1.189 0.948 0.957 0.783 CB 1.693 24 residues pruned to eliminate duplicates Z: 50 46.003 2.063 0.789 0.656 0.939 0.796 CB 1.641 50 residues pruned to eliminate duplicates Z: 36 47.094 2.103 1.046 0.718 0.943 0.771 CB 1.610 37 residues pruned to eliminate duplicates Z: 29 49.870 1.971 1.177 0.933 0.964 0.857 CB 1.590 29 residues pruned to eliminate duplicates Z: 50 46.624 2.043 0.864 0.653 0.959 0.796 CB 1.581 49 residues pruned to eliminate duplicates Z: 28 47.267 2.000 1.144 0.933 0.963 0.741 CB 1.537 28 residues pruned to eliminate duplicates Z: 28 51.214 1.992 1.256 0.921 0.963 0.667 CB 1.603 28 residues pruned to eliminate duplicates Z: 29 48.637 1.966 1.253 0.908 0.929 0.750 CB 1.587 29 residues pruned to eliminate duplicates Z: 6 4.726 1.498 0.713 0.647 0.600 0.600 O 1.196 6 residues pruned to eliminate duplicates 225 residues left after pruning, divided into chains as follows: A: 11 B: 6 C: 11 D: 7 E: 16 F: 12 G: 16 H: 146 CC for partial structure against native data = 35.30 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.298, Contrast = 0.620, Connect. = 0.712 for dens.mod. cycle 1 = 0.298, Contrast = 0.719, Connect. = 0.740 for dens.mod. cycle 2 = 0.298, Contrast = 0.843, Connect. = 0.769 for dens.mod. cycle 3 = 0.298, Contrast = 0.864, Connect. = 0.773 for dens.mod. cycle 4 = 0.298, Contrast = 0.878, Connect. = 0.776 for dens.mod. cycle 5 = 0.298, Contrast = 0.881, Connect. = 0.778 for dens.mod. cycle 6 = 0.298, Contrast = 0.884, Connect. = 0.779 for dens.mod. cycle 7 = 0.298, Contrast = 0.884, Connect. = 0.780 for dens.mod. cycle 8 = 0.298, Contrast = 0.883, Connect. = 0.780 for dens.mod. cycle 9 = 0.298, Contrast = 0.881, Connect. = 0.781 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1409 peaks > 0.5 sigma used to seed fragment search Space for about 530 unique residues taking solvent into account 298 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 33.417 2.030 0.704 0.900 1.000 0.947 CB 1.584 B: 21 28.100 1.944 0.764 0.864 0.950 0.850 CB 1.414 21 residues pruned to eliminate duplicates C: 14 21.521 1.901 0.796 0.847 1.000 0.769 N 1.298 D: 28 52.265 2.063 1.247 0.935 0.963 0.704 CB 1.570 E: 26 54.159 2.113 1.138 0.943 0.960 0.880 CA 1.731 28 residues pruned to eliminate duplicates F: 35 34.347 2.103 0.601 0.605 1.000 0.735 CB 1.583 G: 23 41.734 2.087 1.189 0.953 1.000 0.818 CB 1.341 H: 36 30.751 2.054 0.606 0.566 0.914 0.686 CB 1.618 36 residues pruned to eliminate duplicates I: 26 43.245 2.111 0.799 0.926 0.960 0.920 CB 1.663 26 residues pruned to eliminate duplicates J: 31 43.615 1.922 0.901 0.918 0.967 0.867 CA 1.590 28 residues pruned to eliminate duplicates K: 24 29.232 1.941 0.699 0.836 0.957 0.652 CB 1.446 24 residues pruned to eliminate duplicates L: 31 30.915 1.990 1.047 0.443 0.933 0.467 CB 1.573 M: 37 22.314 2.057 0.785 0.336 0.833 0.444 CB 1.455 37 residues pruned to eliminate duplicates N: 50 33.690 2.122 0.538 0.527 0.980 0.673 CB 1.465 36 residues pruned to eliminate duplicates O: 83 55.149 2.096 0.738 0.616 0.963 0.768 CB 1.555 77 residues pruned to eliminate duplicates P: 23 35.599 2.076 0.744 0.942 1.000 0.864 CB 1.454 23 residues pruned to eliminate duplicates Q: 29 52.019 2.038 1.180 0.906 0.964 0.857 CB 1.633 36 residues pruned to eliminate duplicates R: 22 42.025 2.087 1.003 0.936 1.000 0.810 CB 1.528 22 residues pruned to eliminate duplicates S: 17 13.147 1.765 0.636 0.459 0.875 0.438 CB 1.356 T: 12 25.497 2.075 0.695 0.841 1.000 0.636 CA 1.630 12 residues pruned to eliminate duplicates U: 27 53.138 2.087 1.110 0.938 1.000 0.808 CB 1.646 27 residues pruned to eliminate duplicates V: 21 30.098 1.956 0.596 0.869 1.000 0.900 CB 1.575 21 residues pruned to eliminate duplicates W: 29 46.648 2.021 0.903 0.946 1.000 0.929 CA 1.584 29 residues pruned to eliminate duplicates X: 11 12.037 2.077 0.831 0.434 0.800 0.600 CB 1.340 Y: 51 43.610 2.067 0.751 0.651 0.920 0.760 CB 1.609 63 residues pruned to eliminate duplicates Z: 24 39.109 1.988 1.107 0.922 1.000 0.696 CB 1.369 24 residues pruned to eliminate duplicates Z: 24 36.383 2.007 0.933 0.942 1.000 0.870 CB 1.356 24 residues pruned to eliminate duplicates Z: 23 33.969 2.062 0.819 0.922 1.000 0.864 CB 1.359 23 residues pruned to eliminate duplicates Z: 29 49.892 2.031 1.134 0.943 0.964 0.786 CA 1.563 29 residues pruned to eliminate duplicates Z: 12 24.814 2.122 0.799 0.788 1.000 0.727 CB 1.523 12 residues pruned to eliminate duplicates Z: 12 16.635 2.028 0.860 0.507 1.000 0.727 CB 1.320 Z: 20 27.526 2.021 0.546 0.878 1.000 0.737 CB 1.467 20 residues pruned to eliminate duplicates Z: 49 38.923 2.124 0.695 0.591 0.979 0.750 CB 1.460 49 residues pruned to eliminate duplicates Z: 50 38.035 2.093 0.772 0.559 0.959 0.694 CB 1.442 50 residues pruned to eliminate duplicates Z: 28 46.210 2.049 1.104 0.916 0.963 0.815 CB 1.512 28 residues pruned to eliminate duplicates Z: 49 35.865 2.147 0.608 0.520 0.958 0.646 CB 1.534 49 residues pruned to eliminate duplicates Z: 21 44.445 2.114 1.244 0.938 1.000 0.850 CB 1.456 21 residues pruned to eliminate duplicates Z: 50 34.342 2.064 0.590 0.538 0.959 0.592 CB 1.502 50 residues pruned to eliminate duplicates Z: 34 22.158 1.901 0.971 0.427 0.879 0.515 CB 1.264 22 residues pruned to eliminate duplicates Z: 28 50.371 2.081 1.011 0.937 0.963 0.926 CA 1.674 28 residues pruned to eliminate duplicates Z: 28 48.797 2.039 1.043 0.928 0.963 0.815 CB 1.639 28 residues pruned to eliminate duplicates Z: 84 54.229 2.100 0.750 0.609 0.952 0.723 CB 1.535 83 residues pruned to eliminate duplicates Z: 28 45.726 2.065 0.857 0.931 0.963 0.963 CA 1.665 28 residues pruned to eliminate duplicates Z: 22 36.058 2.070 0.860 0.931 0.952 0.905 CB 1.500 22 residues pruned to eliminate duplicates Z: 10 17.656 1.990 1.030 0.732 0.889 0.667 N 1.330 10 residues pruned to eliminate duplicates Z: 29 53.550 2.030 1.213 0.925 0.964 0.857 CB 1.640 28 residues pruned to eliminate duplicates Z: 21 31.581 2.106 1.209 0.848 0.850 0.650 CB 1.325 21 residues pruned to eliminate duplicates Z: 35 28.833 2.136 0.703 0.525 0.941 0.588 CB 1.409 35 residues pruned to eliminate duplicates Z: 10 12.831 1.717 0.363 0.863 1.000 0.667 CB 1.341 Z: 28 48.968 2.030 1.047 0.940 0.963 0.963 CA 1.635 29 residues pruned to eliminate duplicates Z: 83 51.424 2.086 0.639 0.655 0.915 0.768 CB 1.572 79 residues pruned to eliminate duplicates Z: 31 50.349 1.969 1.181 0.928 0.933 0.867 CA 1.606 29 residues pruned to eliminate duplicates Z: 44 35.206 2.154 0.742 0.556 0.930 0.767 CB 1.457 44 residues pruned to eliminate duplicates Z: 19 31.309 2.051 0.653 0.873 1.000 0.889 CB 1.586 19 residues pruned to eliminate duplicates Z: 28 52.124 2.068 1.150 0.924 0.963 0.889 CA 1.645 28 residues pruned to eliminate duplicates Z: 8 7.430 1.758 0.760 0.436 0.714 0.571 N 1.357 Z: 6 7.580 2.185 0.106 0.752 0.800 0.400 CB 1.400 6 residues pruned to eliminate duplicates Z: 53 39.271 2.122 0.641 0.568 0.962 0.712 CB 1.523 53 residues pruned to eliminate duplicates Z: 9 8.744 1.742 1.051 0.521 0.750 0.625 CB 1.130 Z: 24 17.374 1.909 0.906 0.478 0.783 0.478 CB 1.301 24 residues pruned to eliminate duplicates Z: 8 8.046 1.746 0.590 0.672 0.857 0.714 CB 1.090 Z: 13 11.887 1.813 0.480 0.478 0.917 0.583 CB 1.426 13 residues pruned to eliminate duplicates Z: 12 22.338 2.093 0.842 0.764 0.909 0.545 N 1.520 12 residues pruned to eliminate duplicates Z: 9 8.963 1.658 0.676 0.779 0.875 0.625 CB 1.018 9 residues pruned to eliminate duplicates Z: 22 38.589 2.066 1.132 0.947 1.000 0.952 CB 1.321 22 residues pruned to eliminate duplicates Z: 7 5.039 1.794 0.955 0.559 0.833 0.667 CB 0.664 Z: 24 34.776 1.995 1.264 0.908 1.000 0.739 CB 1.140 24 residues pruned to eliminate duplicates Z: 22 35.925 1.981 0.842 0.905 0.952 0.762 CB 1.605 21 residues pruned to eliminate duplicates Z: 6 7.657 1.605 0.552 0.763 1.000 0.800 N 1.088 6 residues pruned to eliminate duplicates Z: 26 50.909 2.129 1.056 0.933 0.960 0.920 CA 1.691 26 residues pruned to eliminate duplicates Z: 10 11.020 1.690 0.207 0.797 1.000 0.667 CB 1.389 10 residues pruned to eliminate duplicates Z: 28 40.233 2.052 0.811 0.940 0.926 0.852 CA 1.562 28 residues pruned to eliminate duplicates Z: 22 41.615 2.128 1.270 0.926 0.952 0.619 CB 1.384 22 residues pruned to eliminate duplicates Z: 7 7.451 1.697 0.438 0.390 1.000 0.667 O 1.401 6 residues pruned to eliminate duplicates Z: 8 9.833 1.858 0.705 0.729 0.857 0.714 CB 1.114 8 residues pruned to eliminate duplicates Z: 8 8.797 1.761 0.669 0.482 0.857 0.571 CB 1.344 8 residues pruned to eliminate duplicates Z: 23 41.937 2.083 1.266 0.905 1.000 0.591 CB 1.348 23 residues pruned to eliminate duplicates Z: 29 47.088 2.029 1.044 0.920 0.964 0.893 CB 1.567 29 residues pruned to eliminate duplicates Z: 22 21.185 2.029 0.862 0.462 0.905 0.714 CB 1.406 24 residues pruned to eliminate duplicates Z: 22 42.926 2.085 1.263 0.938 1.000 0.762 CB 1.381 22 residues pruned to eliminate duplicates Z: 20 24.920 2.062 1.209 0.439 0.947 0.579 CB 1.412 19 residues pruned to eliminate duplicates Z: 19 9.071 1.745 0.549 0.398 0.889 0.556 CB 0.991 Z: 36 23.986 2.113 0.526 0.482 0.829 0.543 CB 1.545 36 residues pruned to eliminate duplicates Z: 8 11.948 1.896 0.737 0.781 0.857 0.714 N 1.249 8 residues pruned to eliminate duplicates Z: 40 41.571 2.050 0.775 0.687 0.923 0.872 CB 1.670 42 residues pruned to eliminate duplicates Z: 33 47.298 1.859 1.154 0.929 0.969 0.875 CB 1.508 32 residues pruned to eliminate duplicates Z: 83 59.349 2.136 0.744 0.651 0.963 0.756 CB 1.587 83 residues pruned to eliminate duplicates Z: 29 48.771 2.015 1.122 0.920 0.964 0.857 CA 1.574 29 residues pruned to eliminate duplicates Z: 51 44.099 2.069 0.790 0.595 0.960 0.740 CB 1.602 52 residues pruned to eliminate duplicates Z: 55 39.259 2.138 0.706 0.510 0.944 0.685 CB 1.535 55 residues pruned to eliminate duplicates Z: 28 16.117 1.959 0.592 0.543 0.852 0.778 CB 1.120 30 residues pruned to eliminate duplicates Z: 8 3.083 1.592 0.452 0.557 0.714 0.429 CB 0.668 Z: 13 17.219 1.885 0.902 0.732 0.917 0.667 CB 1.228 13 residues pruned to eliminate duplicates Z: 10 15.450 1.654 0.745 0.898 1.000 1.000 N 1.276 10 residues pruned to eliminate duplicates Z: 8 9.811 1.820 0.406 0.864 0.857 0.857 CB 1.239 8 residues pruned to eliminate duplicates Z: 17 21.227 2.246 0.794 0.467 0.938 0.750 CB 1.454 17 residues pruned to eliminate duplicates Z: 8 5.703 2.062 0.407 0.803 1.000 0.857 CB 0.570 Z: 8 4.133 1.689 0.208 0.458 0.857 0.714 CB 0.933 Z: 29 47.102 2.007 1.054 0.937 0.964 0.857 CB 1.559 29 residues pruned to eliminate duplicates Z: 21 32.465 1.991 0.757 0.893 1.000 0.850 CB 1.490 21 residues pruned to eliminate duplicates Z: 7 4.900 2.018 0.501 0.230 0.667 0.500 O 1.358 Z: 71 45.991 2.084 0.750 0.573 0.886 0.671 CB 1.586 71 residues pruned to eliminate duplicates Z: 21 37.482 1.968 0.934 0.882 1.000 0.850 CB 1.593 22 residues pruned to eliminate duplicates Z: 29 25.007 2.094 0.687 0.412 0.929 0.500 CB 1.580 29 residues pruned to eliminate duplicates Z: 52 36.379 2.135 0.657 0.499 0.941 0.667 CB 1.532 52 residues pruned to eliminate duplicates Z: 18 23.062 1.783 0.948 0.815 1.000 0.824 CB 1.224 18 residues pruned to eliminate duplicates Z: 30 27.583 1.993 0.834 0.672 0.862 0.690 CB 1.387 57 residues pruned to eliminate duplicates Z: 14 10.535 1.822 0.962 0.495 0.923 0.769 CB 0.890 Z: 6 5.695 1.601 0.489 0.767 0.800 0.800 N 1.054 6 residues pruned to eliminate duplicates Z: 38 24.899 1.967 0.589 0.476 0.919 0.568 CB 1.461 38 residues pruned to eliminate duplicates Z: 10 9.544 1.841 0.520 0.438 0.889 0.667 CA 1.363 10 residues pruned to eliminate duplicates Z: 24 40.810 2.019 1.266 0.941 1.000 0.739 CB 1.290 24 residues pruned to eliminate duplicates Z: 10 6.660 1.897 0.547 0.493 0.667 0.444 CB 1.143 10 residues pruned to eliminate duplicates Z: 25 53.665 2.135 1.227 0.933 0.958 0.875 CA 1.678 25 residues pruned to eliminate duplicates Z: 7 10.712 2.070 0.616 0.679 1.000 0.833 CB 1.109 7 residues pruned to eliminate duplicates Z: 53 33.509 2.104 0.569 0.530 0.942 0.673 CB 1.451 53 residues pruned to eliminate duplicates Z: 51 33.062 2.067 0.637 0.484 0.960 0.580 CB 1.462 51 residues pruned to eliminate duplicates Z: 6 10.319 1.861 0.231 0.869 1.000 0.800 N 1.471 6 residues pruned to eliminate duplicates Z: 20 33.362 2.071 0.895 0.908 1.000 0.947 CB 1.385 20 residues pruned to eliminate duplicates Z: 6 9.772 1.829 0.724 0.691 0.800 0.800 CB 1.455 6 residues pruned to eliminate duplicates Z: 12 8.553 1.863 0.340 0.493 0.727 0.636 N 1.430 Z: 55 34.473 2.058 0.681 0.435 0.907 0.593 CB 1.597 55 residues pruned to eliminate duplicates Z: 16 15.868 2.083 0.719 0.464 0.933 0.667 CB 1.272 16 residues pruned to eliminate duplicates Z: 23 36.699 2.068 0.780 0.924 0.955 0.818 CB 1.564 23 residues pruned to eliminate duplicates Z: 12 17.025 1.953 0.942 0.573 0.909 0.818 CB 1.388 12 residues pruned to eliminate duplicates Z: 8 9.296 2.094 0.593 0.702 1.000 0.857 CB 0.876 8 residues pruned to eliminate duplicates Z: 28 53.412 2.023 1.246 0.930 0.963 0.667 CB 1.643 28 residues pruned to eliminate duplicates Z: 54 44.740 2.179 0.793 0.564 0.962 0.679 CB 1.536 54 residues pruned to eliminate duplicates Z: 11 8.268 1.775 0.659 0.484 0.800 0.600 CB 1.128 10 residues pruned to eliminate duplicates Z: 39 26.966 2.007 0.841 0.589 0.842 0.579 CB 1.291 39 residues pruned to eliminate duplicates Z: 6 8.198 1.905 0.316 0.596 0.800 0.600 O 1.668 Z: 8 16.563 2.044 0.994 0.670 0.857 0.571 CB 1.532 7 residues pruned to eliminate duplicates Z: 11 13.947 1.939 1.220 0.465 0.800 0.700 CB 1.326 Z: 21 28.897 2.049 0.643 0.899 1.000 0.750 CB 1.372 21 residues pruned to eliminate duplicates Z: 11 4.376 1.874 0.227 0.414 0.800 0.600 CB 0.823 10 residues pruned to eliminate duplicates Z: 21 16.185 2.187 0.438 0.503 0.850 0.550 CB 1.350 21 residues pruned to eliminate duplicates Z: 24 44.883 2.041 1.308 0.923 1.000 0.609 CB 1.396 24 residues pruned to eliminate duplicates Z: 13 7.393 1.905 0.243 0.365 0.917 0.417 CB 1.137 11 residues pruned to eliminate duplicates Z: 51 38.318 2.152 0.728 0.535 0.960 0.700 CB 1.467 51 residues pruned to eliminate duplicates Z: 9 7.786 1.770 0.236 0.630 0.750 0.750 CA 1.486 7 residues pruned to eliminate duplicates Z: 28 55.019 2.039 1.310 0.924 0.963 0.741 CB 1.640 28 residues pruned to eliminate duplicates Z: 7 14.875 1.780 0.783 0.739 1.000 1.000 CA 1.544 10 residues pruned to eliminate duplicates Z: 35 32.515 2.151 0.722 0.551 0.941 0.676 CB 1.522 35 residues pruned to eliminate duplicates Z: 6 4.263 1.263 0.879 0.817 1.000 0.600 N 0.610 Z: 22 22.620 1.995 0.638 0.861 0.857 0.667 CB 1.295 22 residues pruned to eliminate duplicates Z: 33 34.189 2.000 1.142 0.764 0.906 0.688 CB 1.232 33 residues pruned to eliminate duplicates Z: 22 50.598 2.157 1.200 0.908 1.000 0.810 CB 1.652 22 residues pruned to eliminate duplicates Z: 8 6.198 1.520 0.640 0.715 0.857 0.714 N 0.902 Z: 11 9.844 1.952 0.390 0.422 0.900 0.500 CB 1.383 11 residues pruned to eliminate duplicates Z: 9 20.258 1.867 0.844 0.792 1.000 0.625 CB 1.610 Z: 11 16.187 1.892 0.967 0.731 0.800 0.600 CB 1.396 11 residues pruned to eliminate duplicates Z: 16 17.411 2.082 0.867 0.473 0.867 0.667 CB 1.371 16 residues pruned to eliminate duplicates Z: 20 31.219 2.020 0.751 0.902 0.947 0.842 CB 1.524 20 residues pruned to eliminate duplicates Z: 24 11.242 1.772 0.707 0.368 0.696 0.522 CB 1.284 9 residues pruned to eliminate duplicates Z: 11 13.454 1.884 0.781 0.683 0.900 0.800 CB 1.191 Z: 7 9.581 1.613 0.683 0.792 1.000 0.667 CA 1.115 7 residues pruned to eliminate duplicates Z: 9 5.344 1.893 0.307 0.377 0.750 0.250 CB 1.162 Z: 23 13.392 1.914 0.413 0.395 0.818 0.591 CB 1.443 30 residues pruned to eliminate duplicates Z: 35 27.482 1.974 0.639 0.537 0.941 0.735 CB 1.493 35 residues pruned to eliminate duplicates Z: 31 30.327 2.015 1.024 0.676 0.867 0.633 CB 1.332 39 residues pruned to eliminate duplicates Z: 10 16.988 1.841 0.718 0.878 0.889 0.889 CA 1.462 8 residues pruned to eliminate duplicates Z: 41 33.430 1.944 0.994 0.486 0.925 0.525 CB 1.495 44 residues pruned to eliminate duplicates Z: 6 2.955 1.956 0.028 0.445 0.800 0.400 CB 0.869 11 residues pruned to eliminate duplicates Z: 11 18.484 1.969 0.741 0.606 1.000 0.800 CB 1.542 11 residues pruned to eliminate duplicates Z: 14 15.970 1.617 0.641 0.851 1.000 0.692 N 1.235 14 residues pruned to eliminate duplicates Z: 77 46.229 2.050 0.683 0.556 0.947 0.671 CB 1.537 77 residues pruned to eliminate duplicates Z: 10 9.817 1.668 0.202 0.851 1.000 0.889 CB 1.207 12 residues pruned to eliminate duplicates Z: 18 36.544 2.175 1.378 0.944 1.000 0.706 CB 1.187 18 residues pruned to eliminate duplicates Z: 22 9.338 1.771 0.570 0.285 0.762 0.524 CB 1.226 29 residues pruned to eliminate duplicates Z: 6 4.879 1.550 0.220 0.844 1.000 0.600 CA 0.858 Z: 17 11.949 1.890 0.510 0.445 0.938 0.625 CB 1.182 15 residues pruned to eliminate duplicates Z: 7 4.240 1.711 0.458 0.502 0.667 0.333 CB 1.039 Z: 9 8.788 1.924 0.432 0.494 0.750 0.375 CB 1.512 9 residues pruned to eliminate duplicates Z: 9 8.620 1.816 0.836 0.491 0.875 0.375 CB 1.054 9 residues pruned to eliminate duplicates Z: 7 4.152 1.853 0.044 0.569 0.833 0.500 CB 0.983 Z: 8 11.132 1.714 0.241 0.834 1.000 0.714 CB 1.482 8 residues pruned to eliminate duplicates Z: 23 43.584 2.053 1.174 0.934 1.000 0.727 CB 1.452 39 residues pruned to eliminate duplicates Z: 6 2.573 1.550 0.761 0.290 0.600 0.400 CA 0.889 Z: 9 11.189 1.710 0.671 0.753 1.000 0.750 CB 1.105 Z: 23 33.249 2.052 0.863 0.921 0.955 0.864 CB 1.368 23 residues pruned to eliminate duplicates Z: 41 32.530 2.170 0.693 0.522 0.925 0.750 CB 1.482 41 residues pruned to eliminate duplicates Z: 15 16.181 1.772 0.656 0.522 0.929 0.571 CB 1.554 15 residues pruned to eliminate duplicates Z: 21 35.706 1.944 0.954 0.892 1.000 0.750 CB 1.510 20 residues pruned to eliminate duplicates Z: 52 38.063 2.158 0.671 0.546 0.941 0.686 CB 1.502 52 residues pruned to eliminate duplicates Z: 9 6.643 1.721 0.493 0.376 0.750 0.500 CB 1.391 Z: 11 10.798 1.802 0.843 0.438 0.700 0.400 N 1.565 11 residues pruned to eliminate duplicates Z: 10 3.880 1.477 0.322 0.427 0.778 0.333 CB 0.918 Z: 7 2.705 1.615 0.217 0.298 0.667 0.500 CB 1.056 Z: 16 15.515 1.848 0.461 0.547 0.933 0.667 CB 1.518 16 residues pruned to eliminate duplicates Z: 26 39.914 2.009 1.155 0.874 0.840 0.680 CB 1.597 26 residues pruned to eliminate duplicates Z: 6 3.253 1.645 0.436 0.305 0.600 0.600 N 1.276 Z: 7 6.930 1.968 0.876 0.647 0.833 0.667 CB 0.802 Z: 10 8.470 1.847 0.514 0.503 0.778 0.444 CB 1.295 10 residues pruned to eliminate duplicates Z: 25 47.065 2.091 0.988 0.833 1.000 0.833 CA 1.734 25 residues pruned to eliminate duplicates Z: 9 10.186 1.599 0.749 0.607 0.875 0.625 N 1.329 16 residues pruned to eliminate duplicates Z: 28 51.845 2.054 1.215 0.937 0.963 0.852 CB 1.585 28 residues pruned to eliminate duplicates Z: 7 4.571 1.450 0.313 0.748 0.667 0.500 O 1.179 7 residues pruned to eliminate duplicates Z: 7 4.433 1.350 0.435 0.379 1.000 0.333 CB 1.063 Z: 12 9.558 1.605 0.452 0.556 0.909 0.455 CB 1.288 12 residues pruned to eliminate duplicates Z: 8 5.534 1.907 1.140 0.190 0.857 0.429 CB 0.866 8 residues pruned to eliminate duplicates Z: 24 22.419 1.862 0.474 0.916 1.000 0.913 CB 1.202 24 residues pruned to eliminate duplicates Z: 18 25.832 2.077 0.938 0.519 0.941 0.706 CA 1.623 18 residues pruned to eliminate duplicates Z: 7 9.276 1.749 0.405 0.677 1.000 0.833 CB 1.310 7 residues pruned to eliminate duplicates 6 0.579 1.317 0.511 0.585 1.000 0.600 CB 0.120 ? Z: 27 13.775 1.984 0.386 0.510 0.846 0.615 CB 1.149 21 residues pruned to eliminate duplicates Z: 10 3.729 1.673 0.246 0.495 0.889 0.667 CB 0.674 Z: 24 35.532 2.001 1.185 0.935 1.000 0.739 CB 1.181 24 residues pruned to eliminate duplicates Z: 7 3.261 1.192 0.846 0.690 0.667 0.500 O 0.763 Z: 13 3.097 1.606 0.598 0.149 0.583 0.250 CB 0.921 13 residues pruned to eliminate duplicates Z: 40 34.613 2.162 0.769 0.557 0.974 0.641 CB 1.408 40 residues pruned to eliminate duplicates Z: 6 3.223 1.358 0.385 0.430 0.800 0.600 N 1.030 Z: 10 7.733 1.760 0.487 0.471 0.778 0.667 N 1.305 10 residues pruned to eliminate duplicates Z: 7 6.054 1.615 0.566 0.785 1.000 0.667 CB 0.760 7 residues pruned to eliminate duplicates Z: 24 18.054 1.986 0.656 0.494 1.000 0.739 CB 1.152 24 residues pruned to eliminate duplicates Z: 11 9.997 1.652 0.425 0.683 0.900 0.600 CB 1.261 7 residues pruned to eliminate duplicates Z: 7 4.203 2.063 -0.101 0.682 0.833 0.667 CB 0.939 6 residues pruned to eliminate duplicates Z: 30 27.951 2.013 1.193 0.737 0.897 0.517 CB 1.061 30 residues pruned to eliminate duplicates Z: 35 32.914 2.006 1.004 0.761 0.941 0.618 CB 1.183 35 residues pruned to eliminate duplicates Z: 19 21.825 2.000 1.252 0.798 0.889 0.444 CB 0.990 19 residues pruned to eliminate duplicates Z: 41 33.077 1.958 1.067 0.601 0.875 0.625 CB 1.342 41 residues pruned to eliminate duplicates Z: 21 31.500 1.995 0.974 0.868 0.850 0.700 CB 1.538 20 residues pruned to eliminate duplicates Z: 10 8.152 1.880 0.282 0.581 0.889 0.667 CB 1.173 10 residues pruned to eliminate duplicates Z: 8 5.019 1.454 0.593 0.749 0.857 0.714 CB 0.765 Using tripeptides from previous cycle as seeds Z: 7 5.682 1.869 0.436 0.597 1.000 0.167 CB 0.788 9 residues pruned to eliminate duplicates Z: 7 3.504 1.697 0.413 0.412 0.833 0.333 CB 0.785 7 residues pruned to eliminate duplicates Z: 7 3.241 1.321 0.589 0.373 0.833 0.833 CB 0.866 7 residues pruned to eliminate duplicates Z: 9 11.412 1.975 0.955 0.482 0.875 0.625 CB 1.216 6 residues pruned to eliminate duplicates Z: 6 5.449 1.972 0.331 0.583 1.000 0.600 CB 0.858 5 residues pruned to eliminate duplicates Z: 7 3.340 2.086 0.615 0.869 1.000 0.833 CB 0.296 7 residues pruned to eliminate duplicates Z: 6 6.158 1.821 0.306 0.490 1.000 0.800 CA 1.170 6 residues pruned to eliminate duplicates Z: 9 12.349 1.767 0.692 0.585 1.000 0.750 O 1.346 6 residues pruned to eliminate duplicates Z: 6 5.144 1.758 0.988 0.413 0.800 0.000 CA 0.901 6 residues pruned to eliminate duplicates Z: 20 23.192 2.122 0.802 0.423 0.947 0.684 CB 1.591 24 residues pruned to eliminate duplicates Z: 6 5.120 1.837 0.978 0.301 0.600 0.400 CB 1.311 6 residues pruned to eliminate duplicates Z: 13 18.865 2.104 0.880 0.440 0.917 0.500 CB 1.598 13 residues pruned to eliminate duplicates Z: 12 14.932 2.152 0.807 0.433 0.818 0.545 CB 1.516 12 residues pruned to eliminate duplicates Z: 12 12.768 2.098 0.723 0.388 0.818 0.455 CB 1.465 12 residues pruned to eliminate duplicates Z: 7 5.322 1.869 0.404 0.411 0.833 0.333 CB 1.091 Z: 7 6.445 1.576 0.700 0.721 1.000 0.500 CB 0.804 7 residues pruned to eliminate duplicates Z: 7 8.064 1.795 0.633 0.723 1.000 0.833 CB 0.918 7 residues pruned to eliminate duplicates Z: 7 8.583 1.821 0.459 0.728 1.000 0.667 CB 1.074 7 residues pruned to eliminate duplicates Z: 14 12.538 1.611 0.420 0.684 0.923 0.385 CB 1.390 15 residues pruned to eliminate duplicates Z: 11 14.295 1.781 0.599 0.657 1.000 0.400 CB 1.373 11 residues pruned to eliminate duplicates Z: 10 9.916 1.658 0.285 0.776 0.889 0.556 CB 1.368 10 residues pruned to eliminate duplicates Z: 11 10.679 1.732 0.459 0.590 1.000 0.500 CB 1.226 12 residues pruned to eliminate duplicates Z: 6 10.994 1.905 0.308 0.812 1.000 0.800 CB 1.504 6 residues pruned to eliminate duplicates Z: 11 15.269 1.853 0.568 0.732 1.000 0.600 CB 1.348 11 residues pruned to eliminate duplicates Z: 13 14.045 1.721 0.454 0.765 1.000 0.583 CB 1.281 13 residues pruned to eliminate duplicates Z: 11 8.940 1.672 0.124 0.885 1.000 0.700 CB 1.087 11 residues pruned to eliminate duplicates Z: 11 10.040 1.785 0.290 0.746 0.900 0.800 CB 1.230 11 residues pruned to eliminate duplicates Z: 13 11.230 1.669 0.592 0.696 0.917 0.667 CB 1.114 12 residues pruned to eliminate duplicates Z: 11 15.086 1.659 0.774 0.873 1.000 0.700 CB 1.181 11 residues pruned to eliminate duplicates Z: 12 14.356 1.645 0.711 0.858 0.909 0.636 CB 1.246 11 residues pruned to eliminate duplicates Z: 13 12.319 1.559 0.679 0.810 0.917 0.417 CB 1.131 12 residues pruned to eliminate duplicates Z: 8 5.660 1.426 0.297 0.785 0.857 0.714 CB 1.050 9 residues pruned to eliminate duplicates Z: 8 7.675 1.484 0.571 0.884 1.000 0.714 CB 0.899 7 residues pruned to eliminate duplicates Z: 8 5.501 1.439 0.519 0.820 0.857 0.714 CB 0.841 8 residues pruned to eliminate duplicates Z: 8 4.877 1.427 0.479 0.712 0.857 0.714 CB 0.840 8 residues pruned to eliminate duplicates Z: 10 8.394 1.437 0.599 0.850 1.000 0.778 CB 0.902 8 residues pruned to eliminate duplicates Z: 8 4.875 1.378 0.631 0.852 0.857 0.286 CB 0.707 8 residues pruned to eliminate duplicates Z: 10 5.602 1.268 0.395 0.737 0.889 0.333 CB 0.960 6 residues pruned to eliminate duplicates Z: 8 2.629 1.228 0.318 0.607 0.714 0.429 CB 0.776 8 residues pruned to eliminate duplicates Z: 15 10.703 1.772 0.440 0.464 1.000 0.500 CB 1.163 15 residues pruned to eliminate duplicates Z: 13 10.951 1.762 0.683 0.495 1.000 0.583 CB 1.071 13 residues pruned to eliminate duplicates Z: 10 12.017 1.839 0.944 0.423 0.889 0.556 N 1.365 10 residues pruned to eliminate duplicates Z: 17 11.610 1.935 0.424 0.487 0.938 0.688 CB 1.139 17 residues pruned to eliminate duplicates Z: 26 14.689 1.936 0.570 0.503 0.880 0.600 CB 1.095 26 residues pruned to eliminate duplicates Z: 16 14.305 1.963 0.521 0.537 1.000 0.533 CB 1.192 16 residues pruned to eliminate duplicates Z: 15 15.316 2.033 0.906 0.554 0.857 0.571 CB 1.169 15 residues pruned to eliminate duplicates Z: 16 14.599 1.977 0.715 0.532 0.933 0.667 CB 1.154 16 residues pruned to eliminate duplicates Z: 16 14.342 1.991 0.849 0.483 0.933 0.600 CB 1.095 15 residues pruned to eliminate duplicates Z: 6 3.061 1.603 0.652 0.234 0.800 0.400 CB 0.880 6 residues pruned to eliminate duplicates Z: 21 11.120 1.911 0.589 0.444 0.850 0.550 CB 1.020 21 residues pruned to eliminate duplicates Z: 13 21.661 2.156 0.569 0.924 0.917 0.917 CB 1.416 13 residues pruned to eliminate duplicates Z: 21 29.157 2.142 0.684 0.850 0.950 0.750 CB 1.409 21 residues pruned to eliminate duplicates Z: 22 33.086 2.163 0.752 0.866 0.952 0.762 CB 1.465 22 residues pruned to eliminate duplicates Z: 25 32.017 2.058 0.993 0.801 0.917 0.792 CB 1.337 25 residues pruned to eliminate duplicates Z: 33 35.639 2.058 0.935 0.747 0.938 0.719 CB 1.353 33 residues pruned to eliminate duplicates Z: 32 31.734 2.082 0.962 0.726 0.903 0.774 CB 1.260 32 residues pruned to eliminate duplicates Z: 22 38.180 2.130 1.244 0.873 0.952 0.524 CB 1.334 22 residues pruned to eliminate duplicates Z: 25 36.990 2.084 1.190 0.823 0.917 0.708 CB 1.365 25 residues pruned to eliminate duplicates Z: 23 39.608 2.138 1.322 0.867 0.955 0.727 CB 1.304 39 residues pruned to eliminate duplicates Z: 22 44.510 2.076 1.340 0.929 1.000 0.810 CB 1.399 22 residues pruned to eliminate duplicates Z: 30 36.608 2.018 1.172 0.727 0.931 0.690 CB 1.358 30 residues pruned to eliminate duplicates Z: 23 37.794 2.090 1.354 0.866 0.955 0.591 CB 1.257 23 residues pruned to eliminate duplicates Z: 22 38.686 2.123 1.322 0.911 0.952 0.619 CB 1.274 22 residues pruned to eliminate duplicates Z: 64 43.539 2.120 0.785 0.620 0.937 0.619 CB 1.382 72 residues pruned to eliminate duplicates Z: 23 46.691 2.101 1.349 0.924 1.000 0.773 CB 1.417 23 residues pruned to eliminate duplicates Z: 14 25.266 2.088 1.379 0.786 0.923 0.385 CB 1.188 14 residues pruned to eliminate duplicates Z: 31 39.563 2.097 1.139 0.773 0.967 0.600 CB 1.309 31 residues pruned to eliminate duplicates Z: 35 34.993 2.027 1.144 0.716 0.912 0.706 CB 1.246 35 residues pruned to eliminate duplicates Z: 36 31.875 2.017 1.123 0.730 0.914 0.457 CB 1.119 36 residues pruned to eliminate duplicates Z: 33 39.063 2.064 1.117 0.770 0.938 0.562 CB 1.327 33 residues pruned to eliminate duplicates Z: 32 27.761 2.077 0.927 0.671 0.839 0.645 CB 1.268 32 residues pruned to eliminate duplicates Z: 13 6.677 1.864 0.580 0.353 0.750 0.500 CB 1.022 Z: 6 5.755 1.667 0.610 0.188 1.000 0.400 N 1.394 6 residues pruned to eliminate duplicates Z: 6 3.050 1.422 0.424 0.312 1.000 0.400 CB 0.830 6 residues pruned to eliminate duplicates Z: 21 12.684 1.867 0.690 0.447 0.800 0.500 CB 1.186 34 residues pruned to eliminate duplicates Z: 42 35.528 2.034 1.018 0.651 0.902 0.585 CB 1.302 42 residues pruned to eliminate duplicates Z: 41 38.941 2.078 1.006 0.657 0.950 0.675 CB 1.344 41 residues pruned to eliminate duplicates Z: 38 23.855 1.993 0.984 0.598 0.838 0.541 CB 1.078 38 residues pruned to eliminate duplicates Z: 41 35.819 2.049 1.170 0.687 0.925 0.550 CB 1.160 41 residues pruned to eliminate duplicates Z: 6 3.480 1.561 0.613 0.269 0.800 0.600 CA 1.005 6 residues pruned to eliminate duplicates Z: 14 6.160 1.794 0.239 0.362 0.769 0.385 CB 1.160 14 residues pruned to eliminate duplicates Z: 25 13.903 1.909 0.638 0.416 0.792 0.625 CB 1.251 25 residues pruned to eliminate duplicates Z: 21 15.003 2.048 0.538 0.477 0.850 0.450 CB 1.283 21 residues pruned to eliminate duplicates Z: 53 35.737 2.081 0.875 0.602 0.904 0.596 CB 1.275 53 residues pruned to eliminate duplicates Z: 46 27.183 2.016 0.549 0.523 0.911 0.622 CB 1.393 46 residues pruned to eliminate duplicates Z: 23 29.606 2.270 0.760 0.539 0.955 0.682 CB 1.593 23 residues pruned to eliminate duplicates Z: 11 17.998 2.337 0.618 0.625 0.800 0.600 CB 1.672 11 residues pruned to eliminate duplicates Z: 23 25.429 2.224 0.625 0.518 0.955 0.591 CB 1.545 23 residues pruned to eliminate duplicates Z: 19 16.527 2.104 0.621 0.439 0.889 0.556 CB 1.367 19 residues pruned to eliminate duplicates Z: 52 35.125 2.050 0.985 0.571 0.882 0.569 CB 1.279 52 residues pruned to eliminate duplicates Z: 21 25.344 2.212 0.736 0.573 0.900 0.600 CB 1.528 21 residues pruned to eliminate duplicates Z: 10 6.015 1.876 0.496 0.420 0.556 0.444 N 1.398 10 residues pruned to eliminate duplicates Z: 6 15.287 2.317 0.741 0.567 0.800 0.600 CA 1.986 6 residues pruned to eliminate duplicates Z: 17 18.445 2.259 0.696 0.541 0.750 0.562 CB 1.541 17 residues pruned to eliminate duplicates Z: 17 18.268 2.281 0.548 0.487 0.875 0.688 CB 1.498 17 residues pruned to eliminate duplicates Z: 51 37.825 2.164 0.597 0.569 0.920 0.680 CB 1.574 51 residues pruned to eliminate duplicates Z: 16 17.073 2.239 0.641 0.464 0.867 0.667 CB 1.437 16 residues pruned to eliminate duplicates Z: 18 21.537 2.223 0.894 0.434 0.882 0.647 CB 1.506 18 residues pruned to eliminate duplicates Z: 20 17.696 2.156 0.669 0.486 0.895 0.684 CB 1.279 20 residues pruned to eliminate duplicates Z: 64 34.311 2.041 0.585 0.512 0.921 0.603 CB 1.434 64 residues pruned to eliminate duplicates Z: 16 16.738 2.102 0.691 0.511 0.867 0.533 CB 1.388 16 residues pruned to eliminate duplicates Z: 15 18.970 2.257 0.679 0.456 0.929 0.571 CB 1.507 15 residues pruned to eliminate duplicates Z: 15 13.924 2.195 0.371 0.406 0.929 0.571 CB 1.470 15 residues pruned to eliminate duplicates Z: 13 12.821 2.094 0.621 0.510 0.833 0.583 CB 1.295 13 residues pruned to eliminate duplicates Z: 28 14.567 1.874 0.594 0.372 0.815 0.481 CB 1.320 28 residues pruned to eliminate duplicates Z: 21 18.162 2.172 0.599 0.461 0.800 0.650 CB 1.521 21 residues pruned to eliminate duplicates Z: 33 20.017 2.095 0.771 0.416 0.781 0.500 CB 1.333 33 residues pruned to eliminate duplicates Z: 14 17.371 2.127 0.721 0.541 0.923 0.692 CB 1.370 14 residues pruned to eliminate duplicates Z: 47 33.987 2.089 0.624 0.544 0.935 0.674 CB 1.513 47 residues pruned to eliminate duplicates Z: 53 32.648 2.128 0.496 0.546 0.942 0.635 CB 1.442 53 residues pruned to eliminate duplicates Z: 31 29.548 2.135 0.534 0.580 1.000 0.633 CB 1.526 31 residues pruned to eliminate duplicates Z: 47 35.712 2.148 0.633 0.557 0.957 0.674 CB 1.484 47 residues pruned to eliminate duplicates Z: 44 34.177 2.187 0.593 0.537 0.953 0.674 CB 1.514 44 residues pruned to eliminate duplicates Z: 52 36.293 2.142 0.601 0.552 0.961 0.725 CB 1.467 52 residues pruned to eliminate duplicates Z: 50 34.661 2.124 0.519 0.552 0.980 0.673 CB 1.489 50 residues pruned to eliminate duplicates Z: 95 52.338 2.106 0.587 0.565 0.957 0.691 CB 1.585 95 residues pruned to eliminate duplicates Z: 96 52.813 2.124 0.599 0.565 0.958 0.737 CB 1.564 96 residues pruned to eliminate duplicates Z: 106 62.639 2.135 0.645 0.620 0.981 0.752 CB 1.584 106 residues pruned to eliminate duplicates Z: 50 36.889 2.136 0.587 0.555 0.980 0.633 CB 1.504 50 residues pruned to eliminate duplicates Z: 48 38.433 2.126 0.645 0.583 1.000 0.745 CB 1.480 48 residues pruned to eliminate duplicates Z: 60 47.004 2.143 0.821 0.571 0.949 0.729 CB 1.542 60 residues pruned to eliminate duplicates Z: 51 42.765 2.178 0.760 0.568 0.980 0.760 CB 1.506 51 residues pruned to eliminate duplicates Z: 56 40.431 2.143 0.687 0.551 0.927 0.673 CB 1.547 56 residues pruned to eliminate duplicates Z: 35 30.960 2.072 0.688 0.518 0.971 0.676 CB 1.536 35 residues pruned to eliminate duplicates Z: 53 38.105 2.124 0.770 0.506 0.904 0.635 CB 1.546 53 residues pruned to eliminate duplicates Z: 53 37.097 2.080 0.739 0.492 0.962 0.615 CB 1.492 53 residues pruned to eliminate duplicates Z: 52 38.986 2.149 0.691 0.534 0.980 0.745 CB 1.482 52 residues pruned to eliminate duplicates Z: 53 35.099 2.120 0.630 0.487 0.962 0.654 CB 1.483 53 residues pruned to eliminate duplicates Z: 50 37.571 2.092 0.754 0.508 0.959 0.653 CB 1.513 50 residues pruned to eliminate duplicates Z: 53 40.795 2.143 0.733 0.533 0.981 0.731 CB 1.504 53 residues pruned to eliminate duplicates Z: 50 34.954 2.074 0.695 0.527 0.939 0.633 CB 1.473 50 residues pruned to eliminate duplicates Z: 52 40.747 2.162 0.703 0.539 0.980 0.588 CB 1.520 52 residues pruned to eliminate duplicates Z: 51 38.624 2.173 0.662 0.542 0.940 0.640 CB 1.544 51 residues pruned to eliminate duplicates Z: 53 46.435 2.180 0.777 0.598 0.981 0.788 CB 1.544 53 residues pruned to eliminate duplicates Z: 52 41.638 2.070 0.804 0.545 0.980 0.725 CB 1.523 52 residues pruned to eliminate duplicates Z: 36 35.525 2.104 0.808 0.581 0.971 0.743 CB 1.504 36 residues pruned to eliminate duplicates Z: 97 61.297 2.117 0.724 0.641 0.958 0.750 CB 1.568 98 residues pruned to eliminate duplicates Z: 6 5.797 1.634 0.634 0.411 0.800 0.400 N 1.332 6 residues pruned to eliminate duplicates Z: 54 40.666 2.147 0.737 0.569 0.943 0.717 CB 1.486 54 residues pruned to eliminate duplicates Z: 61 40.390 2.119 0.702 0.538 0.933 0.633 CB 1.492 61 residues pruned to eliminate duplicates Z: 99 57.829 2.119 0.726 0.593 0.939 0.694 CB 1.557 99 residues pruned to eliminate duplicates Z: 98 64.073 2.119 0.817 0.615 0.969 0.711 CB 1.563 98 residues pruned to eliminate duplicates Z: 6 3.446 1.724 0.583 0.139 0.800 0.400 CA 1.104 Z: 7 7.230 1.336 1.052 0.657 1.000 0.667 O 0.930 Z: 6 3.280 1.410 0.313 0.353 1.000 0.400 N 0.928 Z: 6 7.399 1.844 0.997 0.287 0.800 0.400 CA 1.428 Z: 9 10.454 1.649 0.644 0.575 1.000 0.375 CB 1.268 9 residues pruned to eliminate duplicates Z: 49 48.613 2.105 0.786 0.692 0.938 0.771 CB 1.670 49 residues pruned to eliminate duplicates Z: 52 42.420 2.035 0.669 0.647 0.902 0.667 CB 1.691 52 residues pruned to eliminate duplicates Z: 51 41.905 2.045 0.658 0.631 0.940 0.760 CB 1.644 51 residues pruned to eliminate duplicates Z: 50 42.060 2.081 0.630 0.626 0.959 0.694 CB 1.640 50 residues pruned to eliminate duplicates Z: 49 44.227 2.080 0.791 0.612 0.938 0.729 CB 1.643 49 residues pruned to eliminate duplicates Z: 30 18.243 1.954 0.596 0.369 0.793 0.448 CB 1.578 30 residues pruned to eliminate duplicates Z: 34 25.648 2.045 0.760 0.421 0.879 0.545 CB 1.533 34 residues pruned to eliminate duplicates Z: 50 42.190 2.108 0.630 0.604 0.918 0.735 CB 1.729 50 residues pruned to eliminate duplicates Z: 49 41.861 2.085 0.690 0.582 0.938 0.750 CB 1.691 49 residues pruned to eliminate duplicates Z: 43 47.484 2.050 0.850 0.708 0.976 0.857 CB 1.638 43 residues pruned to eliminate duplicates Z: 38 44.026 2.062 0.739 0.715 1.000 0.838 CB 1.661 38 residues pruned to eliminate duplicates Z: 49 49.081 2.121 0.698 0.658 0.979 0.750 CB 1.735 49 residues pruned to eliminate duplicates Z: 50 41.279 2.077 0.549 0.645 0.959 0.776 CB 1.669 50 residues pruned to eliminate duplicates Z: 40 40.130 2.011 0.751 0.696 0.923 0.821 CB 1.653 40 residues pruned to eliminate duplicates Z: 36 38.230 2.112 0.702 0.652 0.914 0.771 CB 1.708 36 residues pruned to eliminate duplicates Z: 52 40.110 2.047 0.525 0.656 0.980 0.824 CB 1.588 52 residues pruned to eliminate duplicates Z: 41 44.226 2.132 0.705 0.686 0.975 0.800 CB 1.664 41 residues pruned to eliminate duplicates Z: 47 46.266 2.142 0.710 0.667 0.957 0.761 CB 1.669 47 residues pruned to eliminate duplicates Z: 67 45.163 2.054 0.861 0.534 0.924 0.712 CB 1.523 71 residues pruned to eliminate duplicates Z: 28 52.246 2.053 1.168 0.931 0.963 0.815 CB 1.639 28 residues pruned to eliminate duplicates Z: 50 50.523 2.092 0.835 0.678 0.959 0.694 CB 1.664 50 residues pruned to eliminate duplicates Z: 85 61.011 2.112 0.856 0.615 0.976 0.774 CB 1.560 85 residues pruned to eliminate duplicates Z: 38 48.078 2.072 0.884 0.728 0.973 0.838 CB 1.695 38 residues pruned to eliminate duplicates Z: 85 61.428 2.108 0.894 0.628 0.952 0.738 CB 1.563 85 residues pruned to eliminate duplicates Z: 50 45.861 2.062 0.809 0.671 0.959 0.735 CB 1.564 50 residues pruned to eliminate duplicates Z: 47 51.593 2.118 0.953 0.672 0.957 0.761 CB 1.640 47 residues pruned to eliminate duplicates Z: 80 59.204 2.081 0.903 0.623 0.962 0.722 CB 1.558 80 residues pruned to eliminate duplicates Z: 77 50.892 2.094 0.831 0.546 0.934 0.645 CB 1.557 77 residues pruned to eliminate duplicates Z: 36 53.741 2.122 1.090 0.729 0.971 0.857 CB 1.716 36 residues pruned to eliminate duplicates Z: 39 51.767 2.067 0.976 0.727 1.000 0.658 CB 1.676 39 residues pruned to eliminate duplicates Z: 39 50.974 2.039 1.054 0.749 0.974 0.711 CB 1.623 39 residues pruned to eliminate duplicates Z: 51 47.618 2.067 0.833 0.662 0.940 0.780 CB 1.628 51 residues pruned to eliminate duplicates Z: 48 49.071 2.111 0.892 0.644 0.957 0.702 CB 1.636 48 residues pruned to eliminate duplicates Z: 131 58.540 2.018 0.842 0.559 0.938 0.592 CB 1.390 131 residues pruned to eliminate duplicates Z: 38 57.682 2.089 1.157 0.751 1.000 0.838 CB 1.682 44 residues pruned to eliminate duplicates Z: 38 55.447 2.110 1.132 0.748 0.973 0.811 CB 1.669 38 residues pruned to eliminate duplicates Z: 51 54.469 2.082 0.927 0.709 0.980 0.880 CB 1.621 51 residues pruned to eliminate duplicates Z: 39 48.733 2.062 1.121 0.697 0.947 0.658 CB 1.594 39 residues pruned to eliminate duplicates Z: 39 41.274 1.995 0.960 0.606 0.947 0.763 CB 1.634 39 residues pruned to eliminate duplicates Z: 41 54.763 2.131 1.105 0.714 0.975 0.725 CB 1.630 41 residues pruned to eliminate duplicates 232 residues left after pruning, divided into chains as follows: A: 7 B: 19 C: 15 D: 14 E: 177 CC for partial structure against native data = 40.32 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.299, Contrast = 0.655, Connect. = 0.722 for dens.mod. cycle 1 = 0.298, Contrast = 0.752, Connect. = 0.748 for dens.mod. cycle 2 = 0.299, Contrast = 0.877, Connect. = 0.776 for dens.mod. cycle 3 = 0.299, Contrast = 0.893, Connect. = 0.778 for dens.mod. cycle 4 = 0.299, Contrast = 0.903, Connect. = 0.779 for dens.mod. cycle 5 = 0.299, Contrast = 0.904, Connect. = 0.781 for dens.mod. cycle 6 = 0.299, Contrast = 0.904, Connect. = 0.781 for dens.mod. cycle 7 = 0.299, Contrast = 0.902, Connect. = 0.782 for dens.mod. cycle 8 = 0.299, Contrast = 0.900, Connect. = 0.782 for dens.mod. cycle 9 = 0.299, Contrast = 0.898, Connect. = 0.783 for dens.mod. cycle 10 TimeTaking 94.48