++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 16:23:03 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: ./2pw4-1.4-parrot-hancs/2pw4-1.4-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2pw4-1.4-parrot-hancs/2pw4-1.4-parrot-hancs.ins Phases from ./2pw4-1.4-parrot-hancs/2pw4-1.4-parrot-hancs.phi Native data from ./2pw4-1.4-parrot-hancs/2pw4-1.4-parrot-hancs.hkl Listing output to ./2pw4-1.4-parrot-hancs/2pw4-1.4-parrot-hancs.lst Phases output to ./2pw4-1.4-parrot-hancs/2pw4-1.4-parrot-hancs.phs Poly-Ala trace output to ./2pw4-1.4-parrot-hancs/2pw4-1.4-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: C 1 2 1 Allowed origin shift code: 3 36231 Reflections read from file ./2pw4-1.4-parrot-hancs/2pw4-1.4-parrot-hancs.phi 36231 Reflections read from file ./2pw4-1.4-parrot-hancs/2pw4-1.4-parrot-hancs.hkl 36231 Unique data, highest resolution = 1.450 Angstroms Anisotropic scaling: intensities multiplied by 0.000071h^2 +0.000289k^2 -0.000287l^2 +0.000000kl +0.000079hl +0.000000hk 165 Reflections with d > 1.650 and 0 in range 1.650 > d > 1.450 added Density sharpening factor set to 1.57 Fourier grid = 256 x 128 x 60 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 48 Extra Fourier layers will be generated <|E^2-1|> = 0.620 ** -f missing ?? ** = 0.300, Contrast = 0.453, Connect. = 0.778 for dens.mod. cycle 1 = 0.300, Contrast = 0.563, Connect. = 0.801 for dens.mod. cycle 2 = 0.300, Contrast = 0.687, Connect. = 0.825 for dens.mod. cycle 3 = 0.300, Contrast = 0.714, Connect. = 0.829 for dens.mod. cycle 4 = 0.300, Contrast = 0.731, Connect. = 0.832 for dens.mod. cycle 5 = 0.300, Contrast = 0.742, Connect. = 0.834 for dens.mod. cycle 6 = 0.300, Contrast = 0.750, Connect. = 0.835 for dens.mod. cycle 7 = 0.300, Contrast = 0.756, Connect. = 0.836 for dens.mod. cycle 8 = 0.300, Contrast = 0.761, Connect. = 0.836 for dens.mod. cycle 9 = 0.300, Contrast = 0.765, Connect. = 0.837 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1263 peaks > 0.5 sigma used to seed fragment search Space for about 229 unique residues taking solvent into account 248 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 27 61.023 2.211 1.340 0.937 1.000 0.846 CB 1.609 B: 26 62.861 2.316 1.326 0.920 0.960 0.680 CB 1.713 27 residues pruned to eliminate duplicates C: 21 74.797 2.462 1.573 0.913 1.000 0.850 CB 1.868 D: 22 59.711 2.363 1.312 0.914 0.952 0.857 CB 1.770 22 residues pruned to eliminate duplicates E: 18 30.467 2.107 0.559 0.947 1.000 1.000 CA 1.554 F: 21 69.288 2.425 1.542 0.943 1.000 0.800 CB 1.742 21 residues pruned to eliminate duplicates G: 21 64.772 2.396 1.369 0.939 1.000 0.950 CB 1.774 21 residues pruned to eliminate duplicates H: 21 56.580 2.420 1.135 0.885 1.000 0.850 CB 1.768 21 residues pruned to eliminate duplicates I: 17 48.032 2.312 1.324 0.808 0.938 0.688 CB 1.822 J: 20 61.882 2.488 1.121 0.949 1.000 0.895 CB 1.856 20 residues pruned to eliminate duplicates K: 25 69.238 2.378 1.454 0.918 0.958 0.750 CB 1.782 26 residues pruned to eliminate duplicates L: 22 66.436 2.340 1.572 0.905 1.000 0.762 CB 1.714 22 residues pruned to eliminate duplicates M: 22 56.896 2.373 1.332 0.870 0.952 0.857 CB 1.720 22 residues pruned to eliminate duplicates N: 19 66.346 2.509 1.365 0.944 1.000 0.778 CB 1.825 19 residues pruned to eliminate duplicates O: 17 38.440 2.224 0.888 0.935 1.000 0.938 CA 1.595 18 residues pruned to eliminate duplicates P: 18 49.676 2.371 0.986 0.922 1.000 0.882 CB 1.800 18 residues pruned to eliminate duplicates Q: 18 51.461 2.392 1.232 0.849 1.000 0.824 CB 1.733 16 residues pruned to eliminate duplicates R: 15 53.529 2.428 1.240 0.919 1.000 0.786 CB 1.855 15 residues pruned to eliminate duplicates S: 14 48.983 2.295 1.328 0.912 1.000 0.923 CB 1.800 14 residues pruned to eliminate duplicates T: 26 55.066 2.302 1.095 0.922 0.960 0.720 CB 1.674 26 residues pruned to eliminate duplicates U: 18 43.600 2.309 1.220 0.860 0.941 0.824 CB 1.612 18 residues pruned to eliminate duplicates V: 26 51.964 2.263 1.124 0.865 0.960 0.800 CB 1.651 26 residues pruned to eliminate duplicates W: 21 65.867 2.462 1.437 0.911 0.950 0.750 CB 1.832 21 residues pruned to eliminate duplicates X: 14 49.860 2.500 1.143 0.920 1.000 0.923 CB 1.817 14 residues pruned to eliminate duplicates Y: 17 37.717 2.214 0.837 0.918 1.000 0.938 CA 1.635 17 residues pruned to eliminate duplicates Z: 24 73.852 2.475 1.268 0.934 1.000 0.826 CB 1.913 25 residues pruned to eliminate duplicates Z: 24 46.657 2.334 0.673 0.911 1.000 0.826 CB 1.766 24 residues pruned to eliminate duplicates Z: 17 27.772 2.126 0.384 0.936 1.000 0.938 CA 1.642 17 residues pruned to eliminate duplicates Z: 8 19.390 2.006 1.101 0.750 1.000 0.714 CA 1.391 Z: 21 65.045 2.436 1.510 0.908 0.950 0.750 CB 1.778 21 residues pruned to eliminate duplicates Z: 169 100.177 2.262 1.017 0.599 0.940 0.679 CB 1.639 89 residues pruned to eliminate duplicates Z: 25 52.190 2.347 0.828 0.901 1.000 0.875 CB 1.771 25 residues pruned to eliminate duplicates Z: 17 29.067 2.190 0.531 0.926 1.000 0.938 CA 1.520 17 residues pruned to eliminate duplicates Z: 25 70.396 2.408 1.311 0.915 1.000 0.792 CB 1.825 25 residues pruned to eliminate duplicates Z: 24 45.218 2.398 0.600 0.930 0.957 0.957 CB 1.796 24 residues pruned to eliminate duplicates Z: 21 52.717 2.420 0.993 0.923 1.000 0.800 CB 1.718 21 residues pruned to eliminate duplicates Z: 6 10.016 1.796 0.751 0.758 1.000 0.800 CA 1.132 Z: 18 53.458 2.401 1.308 0.871 1.000 0.824 CB 1.707 18 residues pruned to eliminate duplicates Z: 25 51.563 2.378 0.855 0.909 0.958 0.833 CB 1.768 25 residues pruned to eliminate duplicates Z: 17 31.617 2.196 0.572 0.918 1.000 0.812 CA 1.615 17 residues pruned to eliminate duplicates Z: 19 42.298 2.308 1.007 0.831 1.000 0.889 CB 1.616 19 residues pruned to eliminate duplicates Z: 25 66.249 2.401 1.275 0.914 1.000 0.750 CB 1.751 25 residues pruned to eliminate duplicates Z: 19 47.461 2.345 1.094 0.865 1.000 0.833 CB 1.669 19 residues pruned to eliminate duplicates Z: 26 53.788 2.308 0.963 0.924 0.960 0.800 CB 1.737 26 residues pruned to eliminate duplicates Z: 20 67.837 2.529 1.277 0.949 1.000 0.947 CB 1.865 20 residues pruned to eliminate duplicates Z: 21 67.092 2.427 1.422 0.954 1.000 0.900 CB 1.755 21 residues pruned to eliminate duplicates Z: 16 47.233 2.231 1.527 0.863 0.933 0.867 CB 1.701 16 residues pruned to eliminate duplicates Z: 18 47.591 2.348 1.153 0.874 1.000 0.824 CB 1.662 18 residues pruned to eliminate duplicates Z: 17 29.891 2.210 0.518 0.942 1.000 1.000 CA 1.545 17 residues pruned to eliminate duplicates Z: 25 42.320 2.300 0.634 0.922 0.958 0.792 CB 1.687 25 residues pruned to eliminate duplicates Z: 25 31.466 2.182 0.773 0.676 0.917 0.667 CB 1.541 25 residues pruned to eliminate duplicates Z: 21 49.140 2.397 0.921 0.874 1.000 0.800 CB 1.737 21 residues pruned to eliminate duplicates Z: 20 59.891 2.508 1.122 0.941 1.000 0.947 CB 1.791 20 residues pruned to eliminate duplicates Z: 25 54.842 2.366 1.009 0.871 0.958 0.667 CB 1.792 25 residues pruned to eliminate duplicates Z: 18 59.642 2.429 1.437 0.935 1.000 0.765 CB 1.703 18 residues pruned to eliminate duplicates Z: 25 43.774 2.345 0.551 0.940 1.000 1.000 CB 1.706 25 residues pruned to eliminate duplicates Z: 11 9.701 2.014 0.640 0.328 0.900 0.600 CB 1.246 Z: 6 12.842 2.311 0.428 0.567 1.000 0.600 CA 1.631 6 residues pruned to eliminate duplicates Z: 20 62.004 2.499 1.279 0.942 0.947 0.947 CB 1.828 20 residues pruned to eliminate duplicates Z: 17 33.172 2.191 0.588 0.948 1.000 1.000 CA 1.646 17 residues pruned to eliminate duplicates Z: 13 16.557 1.804 0.521 0.848 1.000 0.750 CB 1.292 13 residues pruned to eliminate duplicates Z: 30 26.445 1.997 0.988 0.432 0.966 0.621 CB 1.375 30 residues pruned to eliminate duplicates Z: 39 32.805 2.107 0.983 0.415 0.947 0.658 CB 1.469 39 residues pruned to eliminate duplicates Z: 6 14.047 2.316 0.900 0.544 0.800 0.600 CA 1.709 6 residues pruned to eliminate duplicates Z: 21 59.876 2.430 1.143 0.915 1.000 0.950 CB 1.817 21 residues pruned to eliminate duplicates Z: 12 21.321 1.886 0.781 0.853 1.000 0.727 C 1.415 12 residues pruned to eliminate duplicates Z: 25 65.154 2.398 1.232 0.917 0.958 0.750 CB 1.830 25 residues pruned to eliminate duplicates Z: 16 41.399 2.338 0.789 0.940 1.000 1.000 CA 1.775 16 residues pruned to eliminate duplicates Z: 25 48.561 2.317 0.768 0.907 1.000 0.958 CB 1.720 25 residues pruned to eliminate duplicates Z: 26 44.931 2.268 0.655 0.918 1.000 0.800 CB 1.689 26 residues pruned to eliminate duplicates Z: 25 71.446 2.365 1.403 0.936 1.000 0.708 CB 1.788 25 residues pruned to eliminate duplicates Z: 16 41.409 2.229 0.979 0.956 1.000 0.867 CA 1.665 16 residues pruned to eliminate duplicates Z: 149 97.451 2.280 1.081 0.606 0.939 0.662 CB 1.626 150 residues pruned to eliminate duplicates Z: 25 62.394 2.313 1.245 0.920 1.000 0.792 CB 1.727 25 residues pruned to eliminate duplicates Z: 11 18.401 1.948 0.499 0.859 1.000 1.000 C 1.467 11 residues pruned to eliminate duplicates Z: 145 98.784 2.301 1.057 0.611 0.958 0.750 CB 1.634 145 residues pruned to eliminate duplicates Z: 20 41.948 2.186 1.162 0.853 1.000 0.789 CB 1.505 20 residues pruned to eliminate duplicates Z: 15 45.220 2.368 1.166 0.899 1.000 0.857 CB 1.685 15 residues pruned to eliminate duplicates Z: 18 39.857 2.163 0.902 0.957 1.000 0.941 CA 1.613 18 residues pruned to eliminate duplicates Z: 22 50.628 2.325 1.286 0.849 0.905 0.571 CB 1.702 22 residues pruned to eliminate duplicates Z: 17 35.597 2.218 0.809 0.932 1.000 1.000 CA 1.549 17 residues pruned to eliminate duplicates Z: 24 51.152 2.459 0.635 0.940 1.000 0.957 CB 1.842 24 residues pruned to eliminate duplicates Z: 21 53.247 2.347 1.081 0.931 1.000 0.950 CB 1.703 21 residues pruned to eliminate duplicates Z: 21 59.624 2.379 1.382 0.920 0.950 0.700 CB 1.744 21 residues pruned to eliminate duplicates Z: 8 16.447 2.122 0.467 0.801 1.000 0.857 CA 1.534 8 residues pruned to eliminate duplicates Z: 25 70.388 2.411 1.256 0.927 1.000 0.792 CB 1.851 25 residues pruned to eliminate duplicates Z: 53 55.058 2.316 0.971 0.574 0.885 0.635 CB 1.760 53 residues pruned to eliminate duplicates Z: 8 14.785 1.971 0.383 0.867 1.000 1.000 C 1.499 8 residues pruned to eliminate duplicates Z: 9 9.317 1.891 0.062 0.711 1.000 0.750 CB 1.355 9 residues pruned to eliminate duplicates Z: 158 97.152 2.288 1.070 0.588 0.943 0.669 CB 1.596 170 residues pruned to eliminate duplicates Z: 13 19.073 1.831 0.732 0.848 1.000 0.667 CB 1.287 13 residues pruned to eliminate duplicates Z: 147 101.376 2.304 1.066 0.609 0.959 0.692 CB 1.657 147 residues pruned to eliminate duplicates Z: 27 32.815 2.156 0.591 0.884 0.923 0.846 CB 1.469 27 residues pruned to eliminate duplicates Z: 12 15.011 1.924 0.441 0.818 0.909 0.727 CB 1.363 12 residues pruned to eliminate duplicates Z: 13 19.524 1.820 0.741 0.868 1.000 0.750 CB 1.300 13 residues pruned to eliminate duplicates Z: 16 19.223 1.996 0.947 0.522 0.867 0.733 CB 1.443 16 residues pruned to eliminate duplicates Z: 10 11.135 1.849 0.186 0.769 1.000 0.556 CB 1.334 10 residues pruned to eliminate duplicates Z: 18 47.591 2.327 1.302 0.859 0.941 0.588 CB 1.685 18 residues pruned to eliminate duplicates Z: 21 40.056 2.329 0.716 0.922 1.000 0.950 CB 1.576 21 residues pruned to eliminate duplicates Z: 150 91.151 2.274 0.958 0.593 0.946 0.638 CB 1.622 150 residues pruned to eliminate duplicates Z: 26 42.067 2.252 0.726 0.911 0.960 0.880 CB 1.598 26 residues pruned to eliminate duplicates Z: 8 18.570 2.030 0.623 0.891 1.000 0.571 CB 1.532 8 residues pruned to eliminate duplicates Z: 21 55.399 2.377 1.146 0.877 1.000 0.900 CB 1.763 21 residues pruned to eliminate duplicates Z: 9 12.995 1.968 0.350 0.733 1.000 0.500 CB 1.403 9 residues pruned to eliminate duplicates Z: 26 66.392 2.252 1.421 0.940 1.000 0.760 C 1.692 26 residues pruned to eliminate duplicates Z: 11 11.997 1.892 0.272 0.742 0.900 0.600 CA 1.411 11 residues pruned to eliminate duplicates Z: 22 61.775 2.357 1.594 0.924 0.905 0.714 CB 1.711 22 residues pruned to eliminate duplicates Z: 25 48.506 2.262 1.263 0.877 0.875 0.750 CB 1.606 25 residues pruned to eliminate duplicates Z: 6 8.296 2.090 -0.218 0.888 1.000 1.000 CA 1.636 6 residues pruned to eliminate duplicates Z: 21 16.861 2.071 0.968 0.204 0.900 0.500 CB 1.459 21 residues pruned to eliminate duplicates Z: 25 64.006 2.416 1.077 0.921 1.000 0.833 CB 1.832 25 residues pruned to eliminate duplicates Z: 13 8.144 1.987 0.923 0.262 0.750 0.417 CB 1.076 Z: 12 16.799 1.924 0.533 0.844 0.909 0.727 CB 1.405 12 residues pruned to eliminate duplicates Z: 149 98.995 2.281 1.099 0.601 0.959 0.628 CB 1.609 149 residues pruned to eliminate duplicates Z: 8 10.576 1.980 0.480 0.515 1.000 0.714 CB 1.344 8 residues pruned to eliminate duplicates Z: 20 54.116 2.488 1.113 0.919 0.947 0.895 CB 1.757 20 residues pruned to eliminate duplicates Z: 11 14.256 1.895 0.374 0.825 0.900 0.900 CB 1.451 11 residues pruned to eliminate duplicates Z: 6 13.670 1.950 1.138 0.675 0.800 0.800 C 1.560 Z: 11 14.660 1.759 0.595 0.810 1.000 0.900 CA 1.262 11 residues pruned to eliminate duplicates Z: 10 8.285 2.069 1.168 0.332 0.889 0.556 CB 0.833 10 residues pruned to eliminate duplicates Z: 6 3.882 1.762 0.839 0.328 0.800 0.600 CB 0.809 Z: 71 72.954 2.355 1.059 0.628 0.929 0.686 CB 1.716 71 residues pruned to eliminate duplicates Z: 15 58.356 2.413 1.464 0.910 1.000 0.857 CB 1.860 15 residues pruned to eliminate duplicates Z: 146 106.884 2.321 1.155 0.613 0.959 0.697 CB 1.663 159 residues pruned to eliminate duplicates Z: 24 51.647 2.427 0.688 0.936 1.000 0.957 CB 1.830 24 residues pruned to eliminate duplicates Z: 10 10.381 1.817 0.243 0.786 0.889 0.667 C 1.340 10 residues pruned to eliminate duplicates Z: 20 62.196 2.426 1.429 0.930 1.000 0.789 CB 1.694 20 residues pruned to eliminate duplicates Z: 10 13.244 1.693 0.508 0.866 1.000 0.889 C 1.266 10 residues pruned to eliminate duplicates Z: 135 98.547 2.323 1.110 0.605 0.948 0.709 CB 1.659 135 residues pruned to eliminate duplicates Z: 13 19.979 1.852 0.763 0.848 1.000 0.750 CB 1.310 13 residues pruned to eliminate duplicates Z: 17 41.938 2.205 1.052 0.931 1.000 0.625 CA 1.619 17 residues pruned to eliminate duplicates Z: 6 4.263 2.019 0.539 0.411 0.600 0.600 CB 1.122 6 residues pruned to eliminate duplicates Z: 24 51.777 2.208 1.401 0.878 0.957 0.783 CB 1.545 24 residues pruned to eliminate duplicates Z: 6 11.964 2.308 1.176 0.356 0.800 0.400 CA 1.556 6 residues pruned to eliminate duplicates Z: 113 91.556 2.353 0.958 0.673 0.946 0.705 CB 1.691 113 residues pruned to eliminate duplicates Z: 6 5.691 1.847 0.616 0.716 1.000 0.800 CB 0.701 6 residues pruned to eliminate duplicates Z: 26 45.554 2.234 0.918 0.870 0.920 0.680 CB 1.686 26 residues pruned to eliminate duplicates Z: 17 36.756 2.151 0.863 0.935 1.000 0.875 CA 1.599 17 residues pruned to eliminate duplicates Z: 19 33.073 2.288 0.465 0.926 1.000 0.889 CB 1.630 19 residues pruned to eliminate duplicates Z: 12 16.480 1.869 0.709 0.794 0.909 0.545 CB 1.323 12 residues pruned to eliminate duplicates Z: 7 16.443 1.987 0.812 0.748 1.000 0.833 C 1.494 7 residues pruned to eliminate duplicates Z: 125 85.310 2.299 1.045 0.646 0.895 0.637 CB 1.589 125 residues pruned to eliminate duplicates Z: 52 44.709 2.271 0.838 0.499 0.941 0.647 CB 1.595 52 residues pruned to eliminate duplicates Z: 17 31.859 2.141 0.573 0.929 1.000 0.938 CA 1.655 17 residues pruned to eliminate duplicates Z: 41 51.639 2.323 1.242 0.623 0.900 0.650 CB 1.551 41 residues pruned to eliminate duplicates Z: 8 7.866 2.129 0.570 0.353 0.857 0.571 CB 1.216 9 residues pruned to eliminate duplicates Z: 13 36.064 2.327 0.865 0.933 1.000 1.000 CA 1.673 13 residues pruned to eliminate duplicates Z: 13 24.628 1.817 1.060 0.908 1.000 0.833 CA 1.349 13 residues pruned to eliminate duplicates Z: 95 65.488 2.230 0.732 0.666 0.936 0.713 CB 1.602 95 residues pruned to eliminate duplicates Z: 158 96.494 2.281 1.109 0.592 0.911 0.631 CB 1.610 158 residues pruned to eliminate duplicates Z: 11 7.727 1.720 0.544 0.424 0.700 0.600 CB 1.423 11 residues pruned to eliminate duplicates Z: 15 20.761 1.655 1.076 0.864 1.000 0.643 CB 1.184 12 residues pruned to eliminate duplicates Z: 22 58.844 2.369 1.411 0.902 0.952 0.905 CB 1.683 22 residues pruned to eliminate duplicates Z: 9 9.883 1.835 -0.005 0.813 1.000 0.875 C 1.457 9 residues pruned to eliminate duplicates Z: 11 22.210 1.925 0.841 0.918 1.000 0.700 CB 1.398 11 residues pruned to eliminate duplicates Z: 24 48.325 2.325 0.822 0.915 1.000 0.826 CB 1.681 24 residues pruned to eliminate duplicates Z: 19 37.392 2.160 0.886 0.889 0.944 0.667 CB 1.649 25 residues pruned to eliminate duplicates Z: 27 29.230 2.239 0.578 0.629 0.885 0.654 CB 1.624 27 residues pruned to eliminate duplicates Z: 20 55.931 2.222 1.477 0.869 1.000 0.684 CB 1.703 20 residues pruned to eliminate duplicates Z: 17 35.148 2.197 0.719 0.918 1.000 0.875 CA 1.640 17 residues pruned to eliminate duplicates Z: 27 40.489 2.213 0.719 0.884 0.962 0.885 CB 1.568 27 residues pruned to eliminate duplicates Z: 17 36.081 2.224 0.641 0.943 1.000 1.000 CA 1.713 17 residues pruned to eliminate duplicates Z: 7 14.540 1.930 0.448 0.868 1.000 0.833 CB 1.552 7 residues pruned to eliminate duplicates Z: 27 38.319 2.164 0.688 0.874 0.962 0.769 CB 1.556 27 residues pruned to eliminate duplicates Z: 40 28.784 2.030 0.955 0.404 0.949 0.641 CB 1.354 40 residues pruned to eliminate duplicates Z: 25 58.259 2.297 1.371 0.895 0.958 0.458 CB 1.633 25 residues pruned to eliminate duplicates Z: 54 54.600 2.144 1.110 0.651 0.943 0.623 CB 1.527 66 residues pruned to eliminate duplicates Z: 36 35.255 2.188 1.129 0.405 0.914 0.600 CB 1.546 36 residues pruned to eliminate duplicates Z: 17 47.058 2.175 1.225 0.927 1.000 0.875 CA 1.704 17 residues pruned to eliminate duplicates Z: 73 78.452 2.276 1.067 0.722 0.958 0.750 CB 1.677 73 residues pruned to eliminate duplicates Z: 12 21.473 1.831 0.990 0.847 1.000 0.636 C 1.320 12 residues pruned to eliminate duplicates Z: 73 62.768 2.244 0.798 0.701 0.972 0.694 CB 1.570 73 residues pruned to eliminate duplicates Z: 22 61.721 2.375 1.467 0.906 0.952 0.762 CB 1.717 22 residues pruned to eliminate duplicates Z: 131 94.861 2.294 1.098 0.612 0.946 0.692 CB 1.642 131 residues pruned to eliminate duplicates Z: 30 48.128 2.316 1.192 0.651 0.897 0.621 CB 1.707 30 residues pruned to eliminate duplicates Z: 8 6.173 1.862 0.773 0.323 0.857 0.429 CB 1.001 Z: 52 66.647 2.352 1.380 0.541 0.941 0.549 CB 1.701 52 residues pruned to eliminate duplicates Z: 7 5.305 1.623 0.990 0.239 0.833 0.500 CB 1.089 7 residues pruned to eliminate duplicates Z: 26 42.738 2.261 0.769 0.886 0.920 0.880 CB 1.677 26 residues pruned to eliminate duplicates Z: 23 21.425 1.939 0.871 0.507 0.955 0.727 CB 1.310 23 residues pruned to eliminate duplicates Z: 44 64.281 2.237 1.092 0.769 1.000 0.651 CB 1.651 44 residues pruned to eliminate duplicates Z: 6 2.261 1.310 0.906 0.291 0.600 0.400 C 0.854 Z: 126 95.445 2.286 1.027 0.665 0.952 0.752 CB 1.660 126 residues pruned to eliminate duplicates Z: 72 73.030 2.247 1.139 0.695 0.930 0.606 CB 1.622 72 residues pruned to eliminate duplicates Z: 109 74.939 2.257 1.035 0.537 0.935 0.704 CB 1.619 109 residues pruned to eliminate duplicates Z: 16 9.334 1.878 0.553 0.176 1.000 0.533 CB 1.223 16 residues pruned to eliminate duplicates Z: 146 99.008 2.299 1.072 0.611 0.945 0.669 CB 1.645 146 residues pruned to eliminate duplicates Z: 6 6.460 1.511 0.375 0.709 1.000 0.600 N 1.150 Z: 17 46.413 2.223 1.191 0.957 1.000 0.938 CA 1.636 17 residues pruned to eliminate duplicates Z: 77 58.008 2.182 1.087 0.528 0.934 0.632 CB 1.520 77 residues pruned to eliminate duplicates Z: 21 39.271 2.270 1.334 0.695 0.850 0.550 CB 1.631 21 residues pruned to eliminate duplicates Z: 9 8.378 1.779 0.119 0.546 1.000 0.750 C 1.423 9 residues pruned to eliminate duplicates Z: 25 56.671 2.313 1.144 0.938 1.000 0.875 CB 1.622 25 residues pruned to eliminate duplicates Z: 6 4.988 1.535 0.578 0.489 1.000 0.400 CB 0.931 Z: 69 66.082 2.248 1.025 0.665 0.956 0.691 CB 1.581 69 residues pruned to eliminate duplicates Z: 62 58.928 2.264 1.196 0.512 0.934 0.590 CB 1.604 62 residues pruned to eliminate duplicates Z: 41 31.072 2.017 0.938 0.431 0.925 0.650 CB 1.460 41 residues pruned to eliminate duplicates Z: 11 14.746 1.851 0.365 0.869 1.000 0.700 CA 1.348 17 residues pruned to eliminate duplicates Z: 53 50.669 2.214 0.797 0.682 0.923 0.769 CB 1.618 53 residues pruned to eliminate duplicates Z: 92 83.645 2.310 1.045 0.647 0.967 0.626 CB 1.673 92 residues pruned to eliminate duplicates Z: 12 12.973 1.769 0.391 0.853 1.000 1.000 CB 1.175 12 residues pruned to eliminate duplicates Z: 11 15.320 1.866 0.414 0.870 1.000 0.500 CA 1.340 11 residues pruned to eliminate duplicates Z: 136 102.832 2.329 1.167 0.602 0.956 0.637 CB 1.666 136 residues pruned to eliminate duplicates Z: 14 24.876 2.188 0.715 0.930 1.000 0.923 CB 1.286 14 residues pruned to eliminate duplicates Z: 30 53.932 2.354 1.366 0.609 0.966 0.724 CB 1.679 30 residues pruned to eliminate duplicates Z: 59 74.550 2.316 1.035 0.758 0.983 0.690 CB 1.679 59 residues pruned to eliminate duplicates Z: 105 83.896 2.296 0.979 0.654 0.952 0.731 CB 1.648 105 residues pruned to eliminate duplicates Z: 22 52.498 2.331 1.217 0.888 0.952 0.762 CB 1.678 22 residues pruned to eliminate duplicates Z: 19 44.435 2.288 1.103 0.870 1.000 0.889 CB 1.588 19 residues pruned to eliminate duplicates 174 residues left after pruning, divided into chains as follows: A: 169 B: 5 CC for partial structure against native data = 38.39 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.470, Connect. = 0.764 for dens.mod. cycle 1 = 0.300, Contrast = 0.547, Connect. = 0.792 for dens.mod. cycle 2 = 0.300, Contrast = 0.671, Connect. = 0.824 for dens.mod. cycle 3 = 0.300, Contrast = 0.691, Connect. = 0.828 for dens.mod. cycle 4 = 0.300, Contrast = 0.711, Connect. = 0.831 for dens.mod. cycle 5 = 0.300, Contrast = 0.723, Connect. = 0.833 for dens.mod. cycle 6 = 0.300, Contrast = 0.734, Connect. = 0.834 for dens.mod. cycle 7 = 0.300, Contrast = 0.742, Connect. = 0.835 for dens.mod. cycle 8 = 0.300, Contrast = 0.749, Connect. = 0.836 for dens.mod. cycle 9 = 0.300, Contrast = 0.755, Connect. = 0.836 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1326 peaks > 0.5 sigma used to seed fragment search Space for about 229 unique residues taking solvent into account 263 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 23 70.528 2.393 1.513 0.892 1.000 0.818 CB 1.797 B: 22 63.409 2.448 1.240 0.870 1.000 0.857 CB 1.843 22 residues pruned to eliminate duplicates C: 17 38.475 2.365 0.671 0.938 1.000 1.000 CA 1.693 D: 21 64.279 2.535 1.225 0.892 0.950 0.800 CB 1.928 22 residues pruned to eliminate duplicates E: 26 62.639 2.365 1.146 0.933 0.960 0.840 C 1.794 F: 25 65.862 2.455 1.101 0.930 0.958 0.917 C 1.902 26 residues pruned to eliminate duplicates G: 17 31.071 2.310 0.362 0.915 1.000 0.938 CA 1.744 17 residues pruned to eliminate duplicates H: 23 53.463 2.320 1.038 0.880 1.000 0.818 CB 1.746 23 residues pruned to eliminate duplicates I: 9 13.089 1.746 1.070 0.736 1.000 0.500 C 1.036 J: 23 57.429 2.365 1.051 0.907 1.000 0.818 CB 1.794 23 residues pruned to eliminate duplicates K: 17 35.725 2.341 0.605 0.936 1.000 0.938 CA 1.655 17 residues pruned to eliminate duplicates L: 18 44.936 2.420 0.952 0.838 1.000 0.765 CB 1.723 M: 20 42.824 2.249 0.959 0.856 1.000 0.789 CB 1.645 18 residues pruned to eliminate duplicates N: 17 38.169 2.364 0.610 0.926 1.000 0.938 CA 1.759 17 residues pruned to eliminate duplicates O: 17 32.021 2.320 0.438 0.906 1.000 0.938 CA 1.707 17 residues pruned to eliminate duplicates P: 21 75.878 2.545 1.430 0.902 1.000 0.800 CB 1.957 22 residues pruned to eliminate duplicates Q: 21 51.215 2.472 0.659 0.909 1.000 0.900 CB 1.982 21 residues pruned to eliminate duplicates R: 26 62.621 2.366 1.001 0.915 1.000 0.760 CB 1.870 26 residues pruned to eliminate duplicates S: 17 34.340 2.363 0.406 0.945 1.000 1.000 CA 1.789 17 residues pruned to eliminate duplicates T: 20 55.704 2.590 0.778 0.938 1.000 0.895 CB 1.929 21 residues pruned to eliminate duplicates U: 19 41.011 2.291 0.869 0.845 1.000 0.722 CB 1.679 20 residues pruned to eliminate duplicates V: 24 72.341 2.413 1.319 0.945 1.000 0.565 C 1.866 25 residues pruned to eliminate duplicates W: 26 63.166 2.332 1.248 0.894 0.960 0.680 C 1.802 26 residues pruned to eliminate duplicates X: 19 48.665 2.375 1.054 0.851 1.000 0.722 CB 1.741 19 residues pruned to eliminate duplicates Y: 16 55.010 2.469 1.346 0.847 1.000 0.800 CB 1.820 19 residues pruned to eliminate duplicates Z: 19 47.480 2.365 1.240 0.848 0.944 0.778 CB 1.660 19 residues pruned to eliminate duplicates Z: 17 29.140 2.368 0.415 0.873 0.938 0.875 CA 1.689 17 residues pruned to eliminate duplicates Z: 7 13.999 1.952 0.667 0.734 1.000 0.500 C 1.424 7 residues pruned to eliminate duplicates Z: 7 19.877 2.286 0.733 0.697 1.000 0.333 CA 1.712 8 residues pruned to eliminate duplicates Z: 21 65.165 2.552 1.178 0.903 0.950 0.800 CB 1.967 21 residues pruned to eliminate duplicates Z: 17 38.639 2.326 0.689 0.938 1.000 0.938 CA 1.710 17 residues pruned to eliminate duplicates Z: 20 60.826 2.596 1.004 0.933 0.947 0.842 CB 1.976 20 residues pruned to eliminate duplicates Z: 26 61.784 2.401 1.076 0.890 0.960 0.760 CB 1.857 25 residues pruned to eliminate duplicates Z: 21 56.940 2.436 1.104 0.889 0.950 0.750 CB 1.883 21 residues pruned to eliminate duplicates Z: 37 32.075 2.253 0.784 0.409 0.917 0.583 CB 1.596 Z: 26 50.779 2.312 0.886 0.883 0.960 0.840 CB 1.755 25 residues pruned to eliminate duplicates Z: 25 62.172 2.439 0.886 0.934 1.000 0.792 C 1.924 26 residues pruned to eliminate duplicates Z: 21 74.743 2.526 1.427 0.916 1.000 0.900 CB 1.926 21 residues pruned to eliminate duplicates Z: 25 67.921 2.453 1.247 0.899 0.917 0.833 CB 1.962 25 residues pruned to eliminate duplicates Z: 26 46.740 2.291 0.545 0.929 1.000 0.800 CB 1.849 25 residues pruned to eliminate duplicates Z: 17 35.113 2.324 0.575 0.929 1.000 0.938 CA 1.679 17 residues pruned to eliminate duplicates Z: 26 59.949 2.358 1.081 0.857 0.960 0.840 CB 1.875 27 residues pruned to eliminate duplicates Z: 26 57.597 2.357 1.035 0.904 0.920 0.760 CB 1.859 26 residues pruned to eliminate duplicates Z: 21 66.943 2.513 1.135 0.915 1.000 0.900 CB 1.971 21 residues pruned to eliminate duplicates Z: 19 47.862 2.357 1.067 0.858 1.000 0.667 CB 1.705 17 residues pruned to eliminate duplicates Z: 25 54.133 2.411 0.733 0.922 1.000 0.792 CB 1.860 25 residues pruned to eliminate duplicates Z: 33 31.921 2.170 0.733 0.443 0.938 0.688 CB 1.698 33 residues pruned to eliminate duplicates Z: 21 52.813 2.425 0.845 0.929 1.000 0.850 CB 1.847 21 residues pruned to eliminate duplicates Z: 25 51.872 2.349 0.769 0.914 0.958 0.750 CB 1.880 25 residues pruned to eliminate duplicates Z: 21 51.419 2.459 0.785 0.935 1.000 0.950 CB 1.825 21 residues pruned to eliminate duplicates Z: 15 45.780 2.209 1.445 0.901 1.000 0.857 CB 1.617 15 residues pruned to eliminate duplicates Z: 26 47.669 2.347 0.709 0.843 0.920 0.720 CB 1.924 26 residues pruned to eliminate duplicates Z: 17 39.505 2.343 0.733 0.915 1.000 0.812 CA 1.718 17 residues pruned to eliminate duplicates Z: 25 58.463 2.444 0.808 0.909 1.000 0.833 CB 1.916 25 residues pruned to eliminate duplicates Z: 21 65.624 2.520 1.217 0.906 1.000 0.900 CB 1.868 21 residues pruned to eliminate duplicates Z: 16 31.326 2.240 0.551 0.897 1.000 0.933 CA 1.667 16 residues pruned to eliminate duplicates Z: 15 20.230 1.920 0.413 0.882 1.000 0.929 CA 1.441 15 residues pruned to eliminate duplicates Z: 24 50.818 2.420 0.729 0.903 0.957 0.783 CB 1.887 24 residues pruned to eliminate duplicates Z: 149 107.852 2.410 0.947 0.613 0.939 0.669 CB 1.807 107 residues pruned to eliminate duplicates Z: 19 51.622 2.358 1.078 0.864 1.000 0.944 CA 1.819 18 residues pruned to eliminate duplicates Z: 15 54.939 2.439 1.299 0.940 1.000 0.929 C 1.819 15 residues pruned to eliminate duplicates Z: 21 49.519 2.411 1.029 0.888 0.950 0.700 CB 1.717 21 residues pruned to eliminate duplicates Z: 18 53.036 2.455 1.121 0.865 1.000 0.824 CB 1.810 18 residues pruned to eliminate duplicates Z: 25 63.927 2.399 1.027 0.923 1.000 0.750 CB 1.886 25 residues pruned to eliminate duplicates Z: 27 57.603 2.324 0.970 0.915 0.962 0.808 C 1.813 27 residues pruned to eliminate duplicates Z: 24 50.285 2.519 0.462 0.927 1.000 0.913 CB 1.996 24 residues pruned to eliminate duplicates Z: 26 52.398 2.329 0.870 0.876 0.960 0.720 CB 1.822 26 residues pruned to eliminate duplicates Z: 26 46.280 2.333 0.743 0.880 0.920 0.760 CB 1.793 26 residues pruned to eliminate duplicates Z: 14 30.200 2.378 0.364 0.914 1.000 1.000 CA 1.825 14 residues pruned to eliminate duplicates Z: 15 52.227 2.454 1.328 0.922 0.929 0.786 CB 1.851 15 residues pruned to eliminate duplicates Z: 26 54.253 2.339 0.998 0.915 0.920 0.800 CB 1.783 26 residues pruned to eliminate duplicates Z: 17 38.504 2.311 0.752 0.925 1.000 0.875 CA 1.669 17 residues pruned to eliminate duplicates Z: 26 65.997 2.384 1.115 0.919 1.000 0.760 C 1.844 26 residues pruned to eliminate duplicates Z: 9 9.148 2.009 -0.120 0.719 1.000 0.750 CB 1.500 9 residues pruned to eliminate duplicates Z: 27 44.845 2.267 0.624 0.893 0.923 0.846 CB 1.858 27 residues pruned to eliminate duplicates Z: 17 41.889 2.346 0.813 0.943 1.000 0.938 CA 1.706 17 residues pruned to eliminate duplicates Z: 12 18.643 2.042 0.329 0.779 1.000 0.545 CB 1.619 12 residues pruned to eliminate duplicates Z: 26 57.984 2.371 0.828 0.930 1.000 0.960 CB 1.871 26 residues pruned to eliminate duplicates Z: 149 110.541 2.393 0.984 0.612 0.966 0.635 CB 1.780 149 residues pruned to eliminate duplicates Z: 25 70.401 2.399 1.163 0.916 1.000 0.625 C 1.956 25 residues pruned to eliminate duplicates Z: 12 20.020 2.067 0.393 0.724 1.000 0.455 CA 1.712 12 residues pruned to eliminate duplicates Z: 26 46.690 2.321 0.648 0.907 0.960 0.840 CB 1.808 26 residues pruned to eliminate duplicates Z: 69 81.187 2.482 1.035 0.645 0.926 0.750 CB 1.838 69 residues pruned to eliminate duplicates Z: 13 18.374 1.928 0.487 0.808 0.917 0.500 CA 1.542 13 residues pruned to eliminate duplicates Z: 18 40.028 2.237 0.867 0.899 1.000 0.882 CA 1.661 18 residues pruned to eliminate duplicates Z: 15 17.714 1.917 0.276 0.854 1.000 0.714 CA 1.429 15 residues pruned to eliminate duplicates Z: 73 78.357 2.481 0.902 0.599 0.958 0.750 CB 1.858 73 residues pruned to eliminate duplicates Z: 42 59.970 2.430 1.064 0.637 0.902 0.732 CB 1.819 42 residues pruned to eliminate duplicates Z: 15 23.367 1.910 0.587 0.884 1.000 0.857 CA 1.489 15 residues pruned to eliminate duplicates Z: 12 21.845 2.011 0.644 0.844 1.000 0.636 CB 1.483 12 residues pruned to eliminate duplicates Z: 86 74.017 2.390 0.953 0.509 0.953 0.659 CB 1.789 86 residues pruned to eliminate duplicates Z: 107 81.382 2.384 0.923 0.549 0.915 0.689 CB 1.796 107 residues pruned to eliminate duplicates Z: 12 19.115 2.041 0.454 0.765 0.909 0.636 CA 1.688 12 residues pruned to eliminate duplicates Z: 21 73.896 2.488 1.431 0.943 1.000 0.750 C 1.894 21 residues pruned to eliminate duplicates Z: 9 14.348 2.061 0.425 0.752 0.875 0.750 C 1.576 9 residues pruned to eliminate duplicates Z: 15 21.970 1.915 0.642 0.881 1.000 0.857 CA 1.353 15 residues pruned to eliminate duplicates Z: 6 9.777 1.936 0.519 0.505 1.000 0.800 CB 1.480 Z: 10 17.674 1.949 0.335 0.823 1.000 0.667 C 1.712 10 residues pruned to eliminate duplicates Z: 8 15.988 2.222 0.196 0.787 1.000 0.714 CB 1.767 8 residues pruned to eliminate duplicates Z: 9 13.499 1.987 0.344 0.824 1.000 0.875 CA 1.350 9 residues pruned to eliminate duplicates Z: 26 48.207 2.298 0.601 0.926 1.000 0.920 CB 1.837 26 residues pruned to eliminate duplicates Z: 18 26.648 2.198 1.075 0.442 0.882 0.588 CB 1.704 18 residues pruned to eliminate duplicates Z: 26 48.323 2.304 0.701 0.911 1.000 0.800 CB 1.747 26 residues pruned to eliminate duplicates Z: 21 73.665 2.497 1.507 0.912 0.950 0.550 C 1.961 21 residues pruned to eliminate duplicates Z: 14 20.228 1.915 0.688 0.863 0.923 0.615 CB 1.379 14 residues pruned to eliminate duplicates Z: 114 97.915 2.447 0.873 0.661 0.947 0.690 CB 1.827 114 residues pruned to eliminate duplicates Z: 6 9.643 2.240 -0.241 0.889 1.000 1.000 CA 1.825 6 residues pruned to eliminate duplicates Z: 17 44.728 2.320 0.990 0.929 1.000 0.938 CA 1.695 17 residues pruned to eliminate duplicates Z: 157 111.315 2.395 1.010 0.586 0.955 0.641 CB 1.785 155 residues pruned to eliminate duplicates Z: 12 16.418 1.992 0.235 0.787 1.000 0.455 CB 1.564 12 residues pruned to eliminate duplicates Z: 71 69.835 2.441 0.883 0.599 0.914 0.686 CB 1.808 71 residues pruned to eliminate duplicates Z: 22 67.411 2.418 1.402 0.900 0.952 0.762 C 1.900 22 residues pruned to eliminate duplicates Z: 10 7.527 1.936 0.593 0.305 0.667 0.333 CA 1.515 10 residues pruned to eliminate duplicates Z: 19 37.850 2.313 0.883 0.840 0.944 0.778 CB 1.619 19 residues pruned to eliminate duplicates Z: 6 14.165 2.299 0.805 0.573 0.800 0.600 CA 1.779 6 residues pruned to eliminate duplicates Z: 26 68.246 2.365 1.206 0.917 1.000 0.880 CB 1.847 26 residues pruned to eliminate duplicates Z: 12 14.129 1.929 0.403 0.796 0.818 0.545 CB 1.484 12 residues pruned to eliminate duplicates Z: 15 18.672 1.855 0.455 0.870 1.000 0.857 CA 1.350 15 residues pruned to eliminate duplicates Z: 14 21.164 2.002 0.712 0.858 0.846 0.538 CB 1.490 14 residues pruned to eliminate duplicates Z: 15 20.372 1.882 0.549 0.868 1.000 0.929 CA 1.365 15 residues pruned to eliminate duplicates Z: 41 35.124 2.150 0.716 0.417 0.950 0.650 CB 1.728 41 residues pruned to eliminate duplicates Z: 12 15.815 2.013 0.188 0.750 1.000 0.636 CA 1.595 12 residues pruned to eliminate duplicates Z: 8 3.826 1.942 0.252 0.329 0.571 0.571 CB 1.257 Z: 7 6.159 1.558 0.147 0.805 1.000 1.000 CA 1.079 6 residues pruned to eliminate duplicates Z: 17 35.348 2.256 0.648 0.920 1.000 0.938 CA 1.673 17 residues pruned to eliminate duplicates Z: 15 25.123 1.925 0.728 0.886 1.000 0.714 CB 1.456 15 residues pruned to eliminate duplicates Z: 15 25.320 1.902 0.792 0.872 1.000 0.571 CA 1.446 15 residues pruned to eliminate duplicates Z: 22 64.474 2.445 1.215 0.878 1.000 0.952 CB 1.885 22 residues pruned to eliminate duplicates Z: 25 65.092 2.365 1.097 0.939 1.000 0.667 C 1.862 25 residues pruned to eliminate duplicates Z: 152 107.910 2.384 0.972 0.595 0.960 0.649 CB 1.777 152 residues pruned to eliminate duplicates Z: 9 14.591 2.041 0.350 0.783 1.000 0.875 C 1.458 9 residues pruned to eliminate duplicates Z: 26 54.290 2.336 0.816 0.919 1.000 0.920 CB 1.803 26 residues pruned to eliminate duplicates Z: 7 18.712 2.229 0.384 0.890 1.000 0.833 C 1.781 7 residues pruned to eliminate duplicates Z: 14 15.976 1.844 0.412 0.717 0.923 0.538 CB 1.514 14 residues pruned to eliminate duplicates Z: 16 27.367 2.176 0.549 0.848 0.933 0.667 CB 1.666 16 residues pruned to eliminate duplicates Z: 15 19.442 1.826 0.545 0.904 1.000 0.786 CA 1.313 15 residues pruned to eliminate duplicates Z: 9 7.690 1.678 0.227 0.783 0.875 0.625 CA 1.177 9 residues pruned to eliminate duplicates Z: 28 39.482 2.242 0.955 0.617 0.926 0.630 CB 1.675 28 residues pruned to eliminate duplicates Z: 75 71.092 2.344 0.717 0.703 0.959 0.730 CB 1.779 75 residues pruned to eliminate duplicates Z: 88 80.586 2.398 0.870 0.641 0.943 0.644 CB 1.791 88 residues pruned to eliminate duplicates Z: 7 3.100 1.789 0.438 0.287 0.667 0.500 CB 0.938 7 residues pruned to eliminate duplicates Z: 6 12.381 2.251 0.525 0.551 0.800 0.600 CA 1.918 6 residues pruned to eliminate duplicates Z: 26 57.820 2.313 1.027 0.914 0.960 0.880 CB 1.817 26 residues pruned to eliminate duplicates Z: 23 38.922 2.324 0.461 0.936 1.000 0.818 CB 1.702 23 residues pruned to eliminate duplicates Z: 17 24.874 2.270 0.187 0.934 1.000 0.938 CA 1.610 17 residues pruned to eliminate duplicates Z: 20 47.685 2.395 0.681 0.926 1.000 1.000 CA 1.905 20 residues pruned to eliminate duplicates Z: 151 104.602 2.389 0.900 0.609 0.953 0.687 CB 1.779 151 residues pruned to eliminate duplicates Z: 6 15.140 2.282 0.527 0.710 1.000 0.400 C 1.606 6 residues pruned to eliminate duplicates Z: 25 51.224 2.447 0.532 0.908 1.000 0.792 CB 1.982 25 residues pruned to eliminate duplicates Z: 7 11.764 2.040 0.441 0.694 1.000 0.667 CA 1.368 7 residues pruned to eliminate duplicates Z: 118 106.996 2.437 1.036 0.655 0.949 0.650 CB 1.820 118 residues pruned to eliminate duplicates Z: 15 23.542 1.889 0.699 0.853 1.000 0.643 CA 1.449 15 residues pruned to eliminate duplicates Z: 19 15.797 2.277 0.701 0.212 0.889 0.500 CB 1.519 19 residues pruned to eliminate duplicates Z: 17 39.133 2.356 0.680 0.927 1.000 1.000 CA 1.732 17 residues pruned to eliminate duplicates Z: 26 53.098 2.273 0.932 0.909 0.960 0.680 CB 1.788 26 residues pruned to eliminate duplicates Z: 10 13.706 1.828 0.325 0.775 1.000 0.667 CA 1.480 10 residues pruned to eliminate duplicates Z: 9 11.008 1.840 0.434 0.789 0.875 0.750 C 1.308 9 residues pruned to eliminate duplicates Z: 23 63.755 2.404 1.371 0.885 0.955 0.864 CB 1.804 23 residues pruned to eliminate duplicates Z: 25 54.029 2.388 0.758 0.944 1.000 0.917 CB 1.820 25 residues pruned to eliminate duplicates Z: 6 2.478 1.272 0.731 0.590 1.000 0.600 CB 0.462 5 residues pruned to eliminate duplicates Z: 122 95.982 2.444 0.879 0.641 0.934 0.678 CB 1.783 122 residues pruned to eliminate duplicates Z: 10 11.828 1.856 0.413 0.760 0.889 0.556 C 1.342 10 residues pruned to eliminate duplicates Z: 14 7.528 1.670 0.530 0.351 0.692 0.308 C 1.388 14 residues pruned to eliminate duplicates Z: 22 53.538 2.298 1.101 0.899 1.000 0.952 CB 1.730 22 residues pruned to eliminate duplicates Z: 6 3.678 1.821 0.021 0.307 0.800 0.400 CB 1.371 6 residues pruned to eliminate duplicates Z: 9 10.306 2.155 0.291 0.540 0.875 0.750 CB 1.439 9 residues pruned to eliminate duplicates Z: 19 42.983 2.289 1.038 0.871 0.944 0.722 CB 1.678 19 residues pruned to eliminate duplicates Z: 85 84.137 2.378 0.996 0.666 0.940 0.679 CB 1.764 85 residues pruned to eliminate duplicates Z: 31 31.288 2.166 0.672 0.492 1.000 0.700 CB 1.590 31 residues pruned to eliminate duplicates Z: 18 44.644 2.291 1.204 0.860 0.941 0.706 CB 1.676 18 residues pruned to eliminate duplicates Z: 26 43.121 2.302 0.662 0.907 0.960 0.800 CB 1.668 26 residues pruned to eliminate duplicates Z: 150 105.840 2.402 0.965 0.605 0.926 0.658 CB 1.795 150 residues pruned to eliminate duplicates Z: 21 49.183 2.394 0.869 0.908 1.000 0.850 CB 1.746 21 residues pruned to eliminate duplicates Z: 33 23.612 1.998 0.623 0.452 0.906 0.656 CB 1.492 33 residues pruned to eliminate duplicates Z: 7 3.188 1.589 0.139 0.279 0.833 0.500 CA 1.107 7 residues pruned to eliminate duplicates Z: 17 47.119 2.268 1.158 0.925 1.000 0.688 CA 1.688 17 residues pruned to eliminate duplicates Z: 19 20.756 2.198 1.011 0.260 1.000 0.500 CB 1.457 19 residues pruned to eliminate duplicates Z: 9 14.237 1.956 0.351 0.726 1.000 0.750 C 1.554 9 residues pruned to eliminate duplicates Z: 16 52.756 2.304 1.386 0.902 1.000 0.800 CA 1.768 16 residues pruned to eliminate duplicates Z: 74 78.969 2.387 0.890 0.713 0.945 0.767 CB 1.787 74 residues pruned to eliminate duplicates Z: 20 52.489 2.296 1.221 0.841 1.000 0.579 CB 1.761 20 residues pruned to eliminate duplicates Z: 8 5.315 1.670 0.367 0.338 0.857 0.571 C 1.224 8 residues pruned to eliminate duplicates Z: 6 12.584 2.195 1.009 0.770 0.800 0.400 CA 1.257 6 residues pruned to eliminate duplicates Z: 9 13.922 1.864 0.439 0.819 1.000 0.375 CB 1.391 9 residues pruned to eliminate duplicates Z: 7 13.053 1.816 0.914 0.811 1.000 0.833 CA 1.169 7 residues pruned to eliminate duplicates Z: 17 50.833 2.335 1.147 0.936 1.000 0.750 CA 1.766 17 residues pruned to eliminate duplicates Z: 12 13.289 1.951 0.286 0.697 0.818 0.727 CA 1.632 12 residues pruned to eliminate duplicates Z: 11 16.422 2.001 0.402 0.777 0.900 0.700 CA 1.610 11 residues pruned to eliminate duplicates Z: 22 64.486 2.463 1.273 0.881 0.952 0.762 CB 1.911 22 residues pruned to eliminate duplicates Z: 72 79.571 2.415 0.785 0.722 0.972 0.690 CB 1.846 72 residues pruned to eliminate duplicates Z: 29 53.468 2.393 1.365 0.642 0.857 0.643 CB 1.825 29 residues pruned to eliminate duplicates Z: 8 7.688 2.024 0.393 0.328 0.857 0.571 CB 1.452 8 residues pruned to eliminate duplicates Z: 21 44.064 2.394 1.083 0.698 0.900 0.800 CB 1.832 21 residues pruned to eliminate duplicates Z: 15 32.860 2.259 0.896 0.901 0.929 0.786 CB 1.576 15 residues pruned to eliminate duplicates Z: 28 27.540 2.063 0.707 0.512 0.963 0.852 CB 1.545 28 residues pruned to eliminate duplicates Z: 39 37.424 2.225 0.845 0.448 0.947 0.711 CB 1.647 39 residues pruned to eliminate duplicates Z: 81 86.488 2.395 0.984 0.683 0.950 0.725 CB 1.811 81 residues pruned to eliminate duplicates Z: 26 19.332 1.996 0.625 0.511 0.880 0.600 CB 1.340 26 residues pruned to eliminate duplicates Z: 59 67.139 2.334 0.872 0.692 0.948 0.776 CB 1.785 59 residues pruned to eliminate duplicates Z: 87 65.989 2.306 0.868 0.598 0.895 0.651 CB 1.681 87 residues pruned to eliminate duplicates Z: 10 9.722 1.768 0.303 0.474 1.000 0.778 CA 1.443 10 residues pruned to eliminate duplicates Z: 25 47.909 2.368 0.630 0.933 1.000 0.917 CB 1.768 25 residues pruned to eliminate duplicates Z: 170 114.700 2.359 1.021 0.607 0.953 0.675 CB 1.754 171 residues pruned to eliminate duplicates Z: 102 107.271 2.433 1.069 0.683 0.960 0.644 CB 1.866 102 residues pruned to eliminate duplicates Z: 30 30.157 2.236 0.456 0.601 0.931 0.586 CB 1.678 30 residues pruned to eliminate duplicates Z: 14 26.150 2.289 0.958 0.571 0.923 0.538 CB 1.638 14 residues pruned to eliminate duplicates Z: 109 63.105 2.263 0.717 0.530 0.907 0.676 CB 1.672 109 residues pruned to eliminate duplicates Z: 84 69.165 2.342 0.979 0.530 0.916 0.639 CB 1.736 84 residues pruned to eliminate duplicates Z: 10 9.399 1.796 0.796 0.493 0.778 0.667 CA 1.258 10 residues pruned to eliminate duplicates Z: 173 118.609 2.374 1.056 0.614 0.953 0.703 CB 1.744 170 residues pruned to eliminate duplicates Z: 30 27.655 2.129 0.694 0.488 0.966 0.724 CB 1.492 30 residues pruned to eliminate duplicates Z: 16 21.467 2.359 1.077 0.288 0.800 0.400 CB 1.794 16 residues pruned to eliminate duplicates Z: 22 21.843 2.109 0.757 0.448 0.952 0.667 CB 1.425 22 residues pruned to eliminate duplicates Z: 20 22.820 1.983 0.468 0.639 1.000 0.842 CB 1.579 20 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 24 44.840 2.285 1.160 0.616 0.957 0.522 CB 1.775 31 residues pruned to eliminate duplicates Z: 47 45.367 2.212 0.732 0.626 0.935 0.652 CB 1.658 25 residues pruned to eliminate duplicates Z: 21 45.652 2.386 0.984 0.731 0.950 0.700 CB 1.844 21 residues pruned to eliminate duplicates Z: 25 36.925 2.234 0.905 0.629 0.917 0.750 C 1.712 25 residues pruned to eliminate duplicates Z: 48 48.202 2.217 0.740 0.632 0.979 0.681 CB 1.645 48 residues pruned to eliminate duplicates Z: 18 49.493 2.410 1.249 0.821 0.941 0.882 CB 1.781 18 residues pruned to eliminate duplicates Z: 47 52.523 2.287 0.896 0.634 0.935 0.652 CB 1.686 47 residues pruned to eliminate duplicates Z: 48 44.358 2.218 0.732 0.632 0.957 0.638 CB 1.554 48 residues pruned to eliminate duplicates Z: 24 45.108 2.321 0.969 0.711 0.957 0.739 C 1.777 24 residues pruned to eliminate duplicates Z: 56 42.968 2.273 0.760 0.554 0.873 0.691 CB 1.575 56 residues pruned to eliminate duplicates Z: 48 39.946 2.198 0.678 0.615 0.894 0.723 CB 1.586 48 residues pruned to eliminate duplicates Z: 24 49.239 2.329 1.048 0.707 1.000 0.739 CB 1.783 24 residues pruned to eliminate duplicates Z: 49 40.695 2.208 0.668 0.613 0.917 0.646 CB 1.564 49 residues pruned to eliminate duplicates Z: 46 46.626 2.280 0.637 0.652 0.978 0.756 CB 1.654 46 residues pruned to eliminate duplicates Z: 56 35.541 2.207 0.571 0.544 0.855 0.636 CB 1.550 56 residues pruned to eliminate duplicates Z: 43 33.167 2.239 0.600 0.595 0.833 0.738 CB 1.566 43 residues pruned to eliminate duplicates Z: 169 111.764 2.395 0.878 0.604 0.970 0.708 CB 1.790 169 residues pruned to eliminate duplicates Z: 14 18.409 2.039 0.602 0.743 0.846 0.538 CB 1.486 14 residues pruned to eliminate duplicates Z: 173 113.154 2.386 0.918 0.603 0.959 0.674 CB 1.782 173 residues pruned to eliminate duplicates Z: 170 106.994 2.384 0.853 0.597 0.953 0.710 CB 1.782 170 residues pruned to eliminate duplicates Z: 120 95.087 2.422 0.824 0.639 0.958 0.706 CB 1.808 120 residues pruned to eliminate duplicates Z: 152 105.515 2.382 0.927 0.608 0.947 0.649 CB 1.782 152 residues pruned to eliminate duplicates Z: 72 76.255 2.437 0.720 0.704 0.958 0.648 CB 1.873 72 residues pruned to eliminate duplicates Z: 149 106.231 2.410 0.884 0.610 0.953 0.696 CB 1.818 149 residues pruned to eliminate duplicates Z: 155 94.618 2.382 0.802 0.585 0.929 0.682 CB 1.762 155 residues pruned to eliminate duplicates Z: 150 107.644 2.410 0.923 0.607 0.953 0.678 CB 1.803 150 residues pruned to eliminate duplicates Z: 149 106.539 2.411 0.899 0.604 0.953 0.655 CB 1.818 149 residues pruned to eliminate duplicates Z: 73 76.665 2.409 0.770 0.700 0.958 0.778 CB 1.842 73 residues pruned to eliminate duplicates Z: 150 106.645 2.395 0.928 0.611 0.960 0.685 CB 1.774 150 residues pruned to eliminate duplicates Z: 150 100.128 2.402 0.845 0.610 0.940 0.644 CB 1.775 150 residues pruned to eliminate duplicates Z: 85 78.368 2.411 0.770 0.643 0.964 0.667 CB 1.818 85 residues pruned to eliminate duplicates Z: 100 84.000 2.391 0.825 0.653 0.949 0.697 CB 1.768 100 residues pruned to eliminate duplicates Z: 150 104.816 2.395 0.918 0.608 0.946 0.705 CB 1.784 150 residues pruned to eliminate duplicates Z: 114 94.433 2.450 0.827 0.669 0.929 0.735 CB 1.828 114 residues pruned to eliminate duplicates Z: 115 104.004 2.445 0.963 0.671 0.947 0.719 CB 1.829 115 residues pruned to eliminate duplicates Z: 72 63.231 2.384 0.624 0.686 0.944 0.718 CB 1.732 72 residues pruned to eliminate duplicates Z: 114 99.343 2.439 0.845 0.682 0.965 0.726 CB 1.823 114 residues pruned to eliminate duplicates Z: 115 106.730 2.462 0.920 0.678 0.965 0.684 CB 1.861 115 residues pruned to eliminate duplicates Z: 66 65.095 2.391 0.605 0.719 0.954 0.708 CB 1.809 66 residues pruned to eliminate duplicates Z: 150 101.651 2.399 0.846 0.611 0.946 0.718 CB 1.788 150 residues pruned to eliminate duplicates Z: 122 88.777 2.412 0.785 0.643 0.934 0.661 CB 1.756 122 residues pruned to eliminate duplicates Z: 157 104.555 2.395 0.889 0.595 0.949 0.660 CB 1.781 157 residues pruned to eliminate duplicates Z: 44 50.611 2.287 0.575 0.714 0.977 0.721 CB 1.807 44 residues pruned to eliminate duplicates Z: 151 105.092 2.390 0.928 0.600 0.940 0.647 CB 1.801 151 residues pruned to eliminate duplicates Z: 24 51.156 2.416 0.700 0.916 0.957 0.739 CB 1.918 24 residues pruned to eliminate duplicates Z: 160 104.850 2.386 0.931 0.589 0.937 0.642 CB 1.769 160 residues pruned to eliminate duplicates Z: 157 97.259 2.370 0.893 0.573 0.923 0.660 CB 1.752 157 residues pruned to eliminate duplicates Z: 113 103.034 2.443 0.983 0.662 0.946 0.652 CB 1.828 113 residues pruned to eliminate duplicates Z: 150 108.920 2.394 0.928 0.609 0.980 0.664 CB 1.778 150 residues pruned to eliminate duplicates Z: 150 107.517 2.403 0.945 0.602 0.953 0.678 CB 1.795 150 residues pruned to eliminate duplicates Z: 149 100.368 2.401 0.901 0.594 0.926 0.662 CB 1.785 149 residues pruned to eliminate duplicates Z: 114 104.248 2.455 0.958 0.662 0.956 0.673 CB 1.837 114 residues pruned to eliminate duplicates Z: 173 116.193 2.374 0.995 0.609 0.942 0.634 CB 1.791 173 residues pruned to eliminate duplicates Z: 116 97.901 2.417 0.946 0.656 0.930 0.661 CB 1.805 116 residues pruned to eliminate duplicates Z: 149 108.539 2.408 0.963 0.614 0.946 0.655 CB 1.792 149 residues pruned to eliminate duplicates Z: 115 107.877 2.425 1.011 0.676 0.965 0.667 CB 1.827 115 residues pruned to eliminate duplicates Z: 75 77.367 2.352 0.887 0.692 0.946 0.622 CB 1.797 75 residues pruned to eliminate duplicates Z: 135 103.921 2.412 0.957 0.647 0.940 0.664 CB 1.764 135 residues pruned to eliminate duplicates Z: 156 106.555 2.402 0.977 0.596 0.935 0.652 CB 1.759 156 residues pruned to eliminate duplicates Z: 171 107.478 2.365 0.938 0.583 0.947 0.682 CB 1.754 171 residues pruned to eliminate duplicates Z: 149 108.282 2.416 0.957 0.607 0.932 0.642 CB 1.824 149 residues pruned to eliminate duplicates Z: 71 74.379 2.417 0.999 0.612 0.929 0.686 CB 1.782 71 residues pruned to eliminate duplicates Z: 160 103.726 2.387 0.923 0.593 0.931 0.698 CB 1.762 160 residues pruned to eliminate duplicates Z: 73 81.225 2.404 0.865 0.708 0.972 0.708 CB 1.818 73 residues pruned to eliminate duplicates Z: 133 106.840 2.425 1.019 0.609 0.939 0.674 CB 1.823 133 residues pruned to eliminate duplicates Z: 137 115.593 2.427 1.013 0.675 0.949 0.662 CB 1.821 137 residues pruned to eliminate duplicates Z: 150 109.213 2.392 0.963 0.614 0.946 0.631 CB 1.808 150 residues pruned to eliminate duplicates Z: 150 108.595 2.403 0.982 0.604 0.940 0.644 CB 1.800 150 residues pruned to eliminate duplicates Z: 95 79.953 2.433 0.969 0.510 0.936 0.628 CB 1.821 95 residues pruned to eliminate duplicates Z: 151 106.004 2.388 0.907 0.599 0.967 0.627 CB 1.790 151 residues pruned to eliminate duplicates Z: 149 109.565 2.412 0.930 0.606 0.959 0.676 CB 1.822 149 residues pruned to eliminate duplicates Z: 150 107.572 2.408 0.990 0.605 0.926 0.685 CB 1.797 150 residues pruned to eliminate duplicates Z: 74 87.852 2.406 0.991 0.710 0.959 0.671 CB 1.850 74 residues pruned to eliminate duplicates Z: 170 111.208 2.381 0.934 0.599 0.941 0.686 CB 1.797 170 residues pruned to eliminate duplicates Z: 150 110.263 2.399 0.993 0.611 0.953 0.685 CB 1.785 150 residues pruned to eliminate duplicates Z: 113 105.683 2.451 0.982 0.658 0.955 0.741 CB 1.859 113 residues pruned to eliminate duplicates Z: 150 108.838 2.398 0.971 0.602 0.953 0.685 CB 1.796 150 residues pruned to eliminate duplicates Z: 28 51.030 2.487 0.916 0.670 0.926 0.778 CB 1.903 28 residues pruned to eliminate duplicates Z: 72 81.714 2.436 0.802 0.723 0.958 0.732 CB 1.886 72 residues pruned to eliminate duplicates Z: 150 110.361 2.403 1.005 0.609 0.946 0.658 CB 1.787 150 residues pruned to eliminate duplicates Z: 150 107.698 2.403 0.960 0.599 0.946 0.604 CB 1.801 150 residues pruned to eliminate duplicates Z: 160 104.441 2.385 0.946 0.584 0.937 0.654 CB 1.756 160 residues pruned to eliminate duplicates Z: 27 52.900 2.450 0.950 0.673 1.000 0.769 CA 1.851 27 residues pruned to eliminate duplicates Z: 149 109.495 2.409 0.994 0.611 0.932 0.689 CB 1.809 149 residues pruned to eliminate duplicates Z: 94 87.362 2.362 0.937 0.661 0.946 0.731 CB 1.802 94 residues pruned to eliminate duplicates Z: 113 110.021 2.445 1.022 0.676 0.964 0.750 CB 1.855 113 residues pruned to eliminate duplicates Z: 105 85.862 2.410 0.995 0.536 0.952 0.635 CB 1.775 105 residues pruned to eliminate duplicates Z: 150 109.361 2.404 0.942 0.600 0.960 0.698 CB 1.818 150 residues pruned to eliminate duplicates Z: 156 103.846 2.396 0.958 0.588 0.929 0.639 CB 1.760 156 residues pruned to eliminate duplicates Z: 162 116.960 2.425 1.012 0.591 0.963 0.696 CB 1.798 162 residues pruned to eliminate duplicates Z: 119 100.871 2.423 0.952 0.640 0.958 0.661 CB 1.798 119 residues pruned to eliminate duplicates Z: 137 104.402 2.437 0.983 0.581 0.941 0.662 CB 1.821 137 residues pruned to eliminate duplicates Z: 104 86.982 2.403 0.944 0.553 0.971 0.689 CB 1.795 104 residues pruned to eliminate duplicates Z: 114 109.381 2.452 1.011 0.665 0.973 0.664 CB 1.839 114 residues pruned to eliminate duplicates Z: 150 106.495 2.391 0.919 0.608 0.960 0.664 CB 1.788 150 residues pruned to eliminate duplicates Z: 149 113.024 2.416 0.954 0.612 0.966 0.709 CB 1.833 149 residues pruned to eliminate duplicates Z: 156 105.460 2.403 0.951 0.583 0.935 0.690 CB 1.784 156 residues pruned to eliminate duplicates Z: 116 107.223 2.452 1.009 0.657 0.957 0.687 CB 1.834 116 residues pruned to eliminate duplicates Z: 91 80.736 2.444 1.025 0.517 0.944 0.656 CB 1.790 91 residues pruned to eliminate duplicates Z: 128 112.992 2.466 0.997 0.622 0.969 0.685 CB 1.874 128 residues pruned to eliminate duplicates Z: 121 97.350 2.413 0.947 0.647 0.942 0.675 CB 1.752 121 residues pruned to eliminate duplicates Z: 72 80.047 2.458 1.010 0.599 0.944 0.690 CB 1.854 72 residues pruned to eliminate duplicates Z: 69 66.140 2.400 0.931 0.527 0.941 0.721 CB 1.790 69 residues pruned to eliminate duplicates Z: 67 65.324 2.424 1.008 0.470 0.939 0.591 CB 1.812 67 residues pruned to eliminate duplicates Z: 152 106.148 2.385 0.971 0.599 0.927 0.682 CB 1.803 152 residues pruned to eliminate duplicates Z: 150 105.683 2.400 0.923 0.598 0.946 0.658 CB 1.806 150 residues pruned to eliminate duplicates Z: 129 107.640 2.459 0.971 0.615 0.938 0.703 CB 1.877 129 residues pruned to eliminate duplicates Z: 119 101.026 2.422 0.942 0.646 0.932 0.703 CB 1.851 119 residues pruned to eliminate duplicates Z: 149 109.667 2.400 0.953 0.607 0.959 0.716 CB 1.811 149 residues pruned to eliminate duplicates Z: 106 106.736 2.427 1.016 0.693 0.962 0.724 CB 1.856 106 residues pruned to eliminate duplicates Z: 149 106.714 2.401 0.948 0.607 0.946 0.635 CB 1.791 149 residues pruned to eliminate duplicates Z: 136 102.856 2.436 0.980 0.581 0.941 0.659 CB 1.805 136 residues pruned to eliminate duplicates Z: 156 100.108 2.392 0.878 0.588 0.935 0.690 CB 1.758 156 residues pruned to eliminate duplicates Z: 149 108.934 2.397 0.966 0.596 0.959 0.682 CB 1.808 149 residues pruned to eliminate duplicates Z: 149 112.737 2.402 0.985 0.612 0.959 0.709 CB 1.822 149 residues pruned to eliminate duplicates Z: 109 82.029 2.369 1.011 0.524 0.935 0.611 CB 1.730 109 residues pruned to eliminate duplicates Z: 114 107.966 2.467 0.983 0.665 0.965 0.735 CB 1.848 114 residues pruned to eliminate duplicates Z: 155 104.632 2.397 0.973 0.585 0.929 0.675 CB 1.770 155 residues pruned to eliminate duplicates Z: 149 108.548 2.404 0.986 0.616 0.939 0.696 CB 1.783 149 residues pruned to eliminate duplicates Z: 143 102.819 2.442 0.981 0.575 0.937 0.641 CB 1.771 143 residues pruned to eliminate duplicates Z: 149 113.563 2.417 1.004 0.604 0.966 0.662 CB 1.807 149 residues pruned to eliminate duplicates Z: 150 110.120 2.404 0.968 0.603 0.953 0.664 CB 1.814 150 residues pruned to eliminate duplicates Z: 129 106.959 2.456 0.967 0.613 0.938 0.641 CB 1.876 129 residues pruned to eliminate duplicates Z: 129 103.287 2.398 1.033 0.610 0.945 0.641 CB 1.785 129 residues pruned to eliminate duplicates Z: 170 113.839 2.391 0.973 0.596 0.941 0.686 CB 1.800 170 residues pruned to eliminate duplicates Z: 75 80.906 2.455 1.088 0.567 0.946 0.622 CB 1.818 75 residues pruned to eliminate duplicates Z: 113 111.643 2.465 1.016 0.675 0.964 0.625 CB 1.873 113 residues pruned to eliminate duplicates Z: 68 72.109 2.417 1.027 0.523 0.970 0.642 CB 1.812 68 residues pruned to eliminate duplicates Z: 136 106.587 2.442 1.041 0.583 0.933 0.615 CB 1.821 136 residues pruned to eliminate duplicates Z: 149 113.664 2.418 0.978 0.616 0.959 0.682 CB 1.824 149 residues pruned to eliminate duplicates Z: 152 106.068 2.386 0.913 0.593 0.954 0.709 CB 1.814 152 residues pruned to eliminate duplicates Z: 173 120.192 2.388 0.967 0.626 0.971 0.686 CB 1.784 173 residues pruned to eliminate duplicates Z: 6 7.984 2.080 0.856 0.221 1.000 0.600 CA 1.282 6 residues pruned to eliminate duplicates Z: 91 75.812 2.395 1.003 0.508 0.944 0.644 CB 1.751 91 residues pruned to eliminate duplicates Z: 150 116.588 2.401 1.051 0.608 0.973 0.685 CB 1.799 150 residues pruned to eliminate duplicates Z: 6 8.284 1.931 0.819 0.408 1.000 0.400 C 1.163 6 residues pruned to eliminate duplicates Z: 36 39.889 2.249 0.836 0.445 1.000 0.600 CB 1.728 36 residues pruned to eliminate duplicates Z: 6 5.045 1.736 0.636 0.349 0.800 0.200 C 1.170 6 residues pruned to eliminate duplicates Z: 37 31.165 2.264 0.752 0.392 0.917 0.472 CB 1.602 37 residues pruned to eliminate duplicates Z: 156 105.084 2.390 0.934 0.593 0.948 0.677 CB 1.761 156 residues pruned to eliminate duplicates Z: 32 32.094 2.139 0.832 0.472 1.000 0.677 CB 1.514 32 residues pruned to eliminate duplicates Z: 33 29.900 2.187 0.639 0.427 0.969 0.594 CB 1.642 33 residues pruned to eliminate duplicates Z: 32 31.475 2.198 0.743 0.446 0.968 0.645 CB 1.613 32 residues pruned to eliminate duplicates Z: 32 32.956 2.198 0.849 0.445 0.968 0.645 CB 1.593 32 residues pruned to eliminate duplicates Z: 6 3.706 1.781 0.124 0.268 0.800 0.400 CB 1.347 6 residues pruned to eliminate duplicates Z: 105 91.745 2.401 1.012 0.546 0.990 0.673 CB 1.798 105 residues pruned to eliminate duplicates Z: 22 23.609 2.052 0.600 0.537 0.952 0.762 CB 1.589 22 residues pruned to eliminate duplicates Z: 11 5.304 1.995 0.376 0.057 0.800 0.400 CB 1.370 11 residues pruned to eliminate duplicates Z: 158 106.522 2.391 0.988 0.578 0.930 0.624 CB 1.785 158 residues pruned to eliminate duplicates Z: 17 24.102 2.002 0.592 0.685 1.000 0.625 CB 1.596 17 residues pruned to eliminate duplicates Z: 20 25.425 2.016 0.867 0.566 0.947 0.526 CB 1.534 20 residues pruned to eliminate duplicates Z: 38 35.727 2.226 0.897 0.396 0.973 0.568 CB 1.596 38 residues pruned to eliminate duplicates Z: 15 26.743 2.005 0.774 0.778 1.000 0.786 CA 1.572 15 residues pruned to eliminate duplicates Z: 15 24.314 2.058 0.776 0.712 1.000 0.500 CB 1.468 15 residues pruned to eliminate duplicates Z: 150 111.932 2.398 0.987 0.600 0.966 0.631 CB 1.811 150 residues pruned to eliminate duplicates Z: 21 21.940 2.048 0.715 0.549 0.850 0.600 CB 1.565 21 residues pruned to eliminate duplicates Z: 15 29.296 1.989 1.096 0.791 1.000 0.714 CB 1.455 15 residues pruned to eliminate duplicates Z: 14 30.683 2.006 1.037 0.874 1.000 0.692 CA 1.515 14 residues pruned to eliminate duplicates Z: 32 28.982 2.136 0.858 0.437 0.935 0.484 CB 1.497 32 residues pruned to eliminate duplicates Z: 12 15.225 1.842 0.753 0.747 0.909 0.727 CB 1.254 12 residues pruned to eliminate duplicates Z: 18 23.473 1.957 0.770 0.654 1.000 0.588 CB 1.425 18 residues pruned to eliminate duplicates Z: 151 110.234 2.384 1.007 0.608 0.953 0.660 CB 1.782 151 residues pruned to eliminate duplicates Z: 7 5.236 1.971 0.502 0.141 0.833 0.333 CB 1.353 5 residues pruned to eliminate duplicates 178 residues left after pruning, divided into chains as follows: A: 171 B: 7 CC for partial structure against native data = 40.52 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.483, Connect. = 0.767 for dens.mod. cycle 1 = 0.300, Contrast = 0.553, Connect. = 0.793 for dens.mod. cycle 2 = 0.300, Contrast = 0.680, Connect. = 0.823 for dens.mod. cycle 3 = 0.300, Contrast = 0.696, Connect. = 0.828 for dens.mod. cycle 4 = 0.300, Contrast = 0.715, Connect. = 0.830 for dens.mod. cycle 5 = 0.300, Contrast = 0.724, Connect. = 0.832 for dens.mod. cycle 6 = 0.300, Contrast = 0.735, Connect. = 0.834 for dens.mod. cycle 7 = 0.300, Contrast = 0.742, Connect. = 0.835 for dens.mod. cycle 8 = 0.300, Contrast = 0.749, Connect. = 0.836 for dens.mod. cycle 9 = 0.300, Contrast = 0.754, Connect. = 0.836 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1321 peaks > 0.5 sigma used to seed fragment search Space for about 229 unique residues taking solvent into account 263 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 74.123 2.561 1.402 0.904 0.950 0.850 CB 2.020 B: 22 65.853 2.500 1.302 0.906 0.905 0.714 CB 1.963 22 residues pruned to eliminate duplicates C: 22 62.450 2.443 0.988 0.935 1.000 1.000 CA 1.956 22 residues pruned to eliminate duplicates D: 17 37.836 2.335 0.690 0.926 1.000 0.938 CA 1.681 E: 22 67.883 2.464 1.343 0.878 0.952 0.810 CA 1.955 22 residues pruned to eliminate duplicates F: 8 13.127 2.161 0.595 0.668 0.857 0.714 CB 1.438 G: 21 66.382 2.519 1.239 0.911 1.000 0.750 CB 1.865 22 residues pruned to eliminate duplicates H: 19 56.134 2.436 1.121 0.878 1.000 0.833 CB 1.859 I: 18 45.176 2.366 0.968 0.841 1.000 0.824 CB 1.754 18 residues pruned to eliminate duplicates J: 22 49.563 2.381 0.843 0.905 0.952 0.857 CB 1.842 22 residues pruned to eliminate duplicates K: 23 78.032 2.576 1.239 0.934 1.000 0.955 C 2.012 L: 19 52.917 2.394 1.129 0.857 1.000 0.833 CB 1.802 19 residues pruned to eliminate duplicates M: 18 47.446 2.479 0.928 0.850 1.000 0.765 CB 1.784 18 residues pruned to eliminate duplicates N: 22 57.042 2.414 0.818 0.957 1.000 0.905 CB 1.947 22 residues pruned to eliminate duplicates O: 19 50.464 2.437 0.892 0.903 1.000 0.833 CB 1.838 19 residues pruned to eliminate duplicates P: 21 58.481 2.526 0.853 0.928 1.000 0.850 CB 1.957 21 residues pruned to eliminate duplicates Q: 17 40.001 2.355 0.736 0.934 1.000 0.938 CA 1.707 17 residues pruned to eliminate duplicates R: 21 67.632 2.549 1.114 0.895 1.000 0.800 C 2.011 21 residues pruned to eliminate duplicates S: 20 43.080 2.286 0.780 0.851 1.000 0.789 CB 1.797 20 residues pruned to eliminate duplicates T: 15 44.505 2.457 0.849 0.887 1.000 0.714 C 1.887 15 residues pruned to eliminate duplicates U: 26 50.976 2.308 0.843 0.896 0.960 0.880 CB 1.789 26 residues pruned to eliminate duplicates V: 21 54.360 2.465 0.816 0.925 1.000 0.850 CB 1.906 21 residues pruned to eliminate duplicates W: 19 48.492 2.436 1.117 0.839 0.944 0.833 CB 1.753 19 residues pruned to eliminate duplicates X: 22 55.849 2.420 0.920 0.930 1.000 0.857 CB 1.835 22 residues pruned to eliminate duplicates Y: 21 68.084 2.520 1.130 0.902 1.000 0.750 CA 2.023 21 residues pruned to eliminate duplicates Z: 15 44.122 2.469 0.867 0.879 1.000 0.786 CB 1.856 15 residues pruned to eliminate duplicates Z: 21 66.775 2.580 1.114 0.904 0.950 0.850 CB 2.052 21 residues pruned to eliminate duplicates Z: 22 54.818 2.435 0.761 0.943 1.000 0.857 CA 1.934 21 residues pruned to eliminate duplicates Z: 19 40.113 2.400 0.845 0.826 0.944 0.889 CB 1.705 19 residues pruned to eliminate duplicates Z: 18 34.146 2.285 0.596 0.909 1.000 0.882 CA 1.612 17 residues pruned to eliminate duplicates Z: 22 47.974 2.402 0.661 0.908 1.000 0.905 CB 1.863 22 residues pruned to eliminate duplicates Z: 26 59.955 2.370 0.980 0.917 1.000 0.760 C 1.804 24 residues pruned to eliminate duplicates Z: 7 16.930 2.194 0.922 0.763 0.833 0.667 C 1.557 Z: 26 54.093 2.325 0.880 0.907 0.960 0.800 CB 1.832 26 residues pruned to eliminate duplicates Z: 17 38.606 2.364 0.666 0.928 1.000 1.000 CA 1.716 17 residues pruned to eliminate duplicates Z: 16 33.429 2.453 0.426 0.929 1.000 1.000 CA 1.727 16 residues pruned to eliminate duplicates Z: 17 39.227 2.309 0.740 0.926 1.000 1.000 CA 1.713 17 residues pruned to eliminate duplicates Z: 22 79.559 2.498 1.468 0.922 1.000 0.762 CB 1.981 21 residues pruned to eliminate duplicates Z: 26 58.845 2.358 1.090 0.876 0.920 0.680 CB 1.886 26 residues pruned to eliminate duplicates Z: 21 57.320 2.505 0.966 0.951 0.950 0.900 CB 1.888 21 residues pruned to eliminate duplicates Z: 27 60.322 2.293 1.060 0.898 1.000 0.731 CB 1.791 27 residues pruned to eliminate duplicates Z: 32 30.786 2.196 0.699 0.471 0.935 0.742 CB 1.632 Z: 18 41.615 2.458 0.732 0.860 1.000 0.882 CB 1.744 18 residues pruned to eliminate duplicates Z: 25 42.983 2.384 0.637 0.885 0.875 0.875 CB 1.854 25 residues pruned to eliminate duplicates Z: 22 62.700 2.452 1.278 0.920 0.952 0.762 CB 1.811 22 residues pruned to eliminate duplicates Z: 24 51.161 2.441 0.553 0.925 1.000 0.957 CB 1.975 24 residues pruned to eliminate duplicates Z: 25 72.181 2.456 1.202 0.910 1.000 0.792 C 1.932 25 residues pruned to eliminate duplicates Z: 26 56.450 2.359 1.038 0.879 0.920 0.760 CB 1.851 26 residues pruned to eliminate duplicates Z: 17 36.540 2.330 0.678 0.887 1.000 0.875 CA 1.685 17 residues pruned to eliminate duplicates Z: 15 45.621 2.451 0.878 0.907 1.000 0.857 CB 1.883 15 residues pruned to eliminate duplicates Z: 17 42.705 2.320 0.898 0.895 1.000 0.938 CA 1.738 17 residues pruned to eliminate duplicates Z: 25 56.789 2.458 0.802 0.915 0.958 0.792 CB 1.929 25 residues pruned to eliminate duplicates Z: 19 55.321 2.417 1.118 0.868 1.000 0.778 CA 1.862 19 residues pruned to eliminate duplicates Z: 19 43.160 2.394 0.753 0.827 1.000 0.889 CB 1.826 19 residues pruned to eliminate duplicates Z: 17 35.248 2.330 0.491 0.941 1.000 0.938 CA 1.760 17 residues pruned to eliminate duplicates Z: 19 42.284 2.330 0.898 0.847 0.944 0.500 CB 1.771 19 residues pruned to eliminate duplicates Z: 22 52.197 2.376 0.775 0.897 1.000 0.857 C 1.934 22 residues pruned to eliminate duplicates Z: 22 53.191 2.399 0.755 0.935 1.000 0.905 CA 1.921 22 residues pruned to eliminate duplicates Z: 25 63.281 2.439 1.135 0.886 0.917 0.750 CB 1.953 25 residues pruned to eliminate duplicates Z: 25 51.020 2.401 0.807 0.878 0.917 0.792 CB 1.901 25 residues pruned to eliminate duplicates Z: 21 60.903 2.486 0.938 0.943 1.000 1.000 CB 1.960 21 residues pruned to eliminate duplicates Z: 15 23.051 1.940 0.560 0.863 1.000 0.786 CA 1.493 15 residues pruned to eliminate duplicates Z: 10 21.904 2.033 0.859 0.884 0.889 0.778 CA 1.571 10 residues pruned to eliminate duplicates Z: 18 35.253 2.269 0.802 0.870 0.882 0.706 CB 1.730 18 residues pruned to eliminate duplicates Z: 16 44.441 2.347 1.014 0.895 0.933 0.733 CA 1.865 16 residues pruned to eliminate duplicates Z: 22 58.898 2.387 1.173 0.895 1.000 0.714 CB 1.776 22 residues pruned to eliminate duplicates Z: 27 53.503 2.304 0.751 0.910 1.000 0.885 C 1.843 27 residues pruned to eliminate duplicates Z: 19 43.706 2.384 0.883 0.823 1.000 0.833 CB 1.735 19 residues pruned to eliminate duplicates Z: 26 42.353 2.293 0.650 0.877 0.920 0.760 CB 1.767 26 residues pruned to eliminate duplicates Z: 24 52.575 2.519 0.574 0.932 0.957 0.870 CB 2.019 24 residues pruned to eliminate duplicates Z: 18 46.918 2.426 0.909 0.873 0.941 0.765 CB 1.901 18 residues pruned to eliminate duplicates Z: 16 53.016 2.397 1.192 0.897 1.000 1.000 CA 1.866 16 residues pruned to eliminate duplicates Z: 22 65.970 2.401 1.210 0.915 1.000 0.952 CB 1.917 22 residues pruned to eliminate duplicates Z: 26 54.341 2.337 0.893 0.894 0.960 0.880 CB 1.835 26 residues pruned to eliminate duplicates Z: 25 69.875 2.423 1.190 0.940 1.000 0.792 C 1.866 25 residues pruned to eliminate duplicates Z: 18 37.748 2.462 0.525 0.853 1.000 0.882 CB 1.802 18 residues pruned to eliminate duplicates Z: 23 68.996 2.405 1.554 0.889 0.955 0.773 CB 1.806 23 residues pruned to eliminate duplicates Z: 25 68.455 2.488 1.065 0.931 0.958 0.833 C 1.983 25 residues pruned to eliminate duplicates Z: 17 39.298 2.348 0.775 0.925 1.000 0.875 CA 1.654 17 residues pruned to eliminate duplicates Z: 22 51.765 2.366 0.813 0.913 1.000 0.905 CB 1.864 22 residues pruned to eliminate duplicates Z: 26 58.572 2.280 1.069 0.909 1.000 0.600 C 1.762 26 residues pruned to eliminate duplicates Z: 19 51.582 2.359 1.024 0.869 1.000 0.833 CB 1.859 19 residues pruned to eliminate duplicates Z: 17 28.399 2.221 0.395 0.906 1.000 0.938 CA 1.629 18 residues pruned to eliminate duplicates Z: 26 36.314 2.257 0.373 0.898 0.960 0.760 CB 1.747 26 residues pruned to eliminate duplicates Z: 26 53.549 2.315 1.026 0.875 0.920 0.720 CB 1.805 26 residues pruned to eliminate duplicates Z: 25 65.662 2.366 1.087 0.924 1.000 0.792 C 1.906 25 residues pruned to eliminate duplicates Z: 150 113.425 2.409 1.033 0.606 0.953 0.651 CB 1.800 111 residues pruned to eliminate duplicates Z: 17 40.843 2.344 0.742 0.937 1.000 0.875 CA 1.739 17 residues pruned to eliminate duplicates Z: 16 39.203 2.271 0.875 0.871 1.000 0.733 CB 1.734 16 residues pruned to eliminate duplicates Z: 15 19.493 1.928 0.383 0.865 1.000 0.714 CA 1.431 15 residues pruned to eliminate duplicates Z: 22 62.975 2.438 1.368 0.888 0.905 0.667 CB 1.896 22 residues pruned to eliminate duplicates Z: 15 49.741 2.438 1.079 0.908 1.000 0.857 CB 1.863 15 residues pruned to eliminate duplicates Z: 8 11.033 2.141 -0.021 0.810 1.000 0.857 CA 1.519 8 residues pruned to eliminate duplicates Z: 16 44.439 2.463 0.751 0.946 1.000 0.933 CA 1.840 16 residues pruned to eliminate duplicates Z: 19 45.654 2.367 0.887 0.863 1.000 0.833 CA 1.767 19 residues pruned to eliminate duplicates Z: 88 68.739 2.372 0.891 0.501 0.931 0.632 CB 1.762 88 residues pruned to eliminate duplicates Z: 12 17.349 2.023 0.279 0.738 1.000 0.545 CA 1.633 12 residues pruned to eliminate duplicates Z: 151 104.678 2.383 0.885 0.602 0.960 0.653 CB 1.799 150 residues pruned to eliminate duplicates Z: 12 19.193 2.049 0.459 0.809 0.909 0.636 CB 1.626 12 residues pruned to eliminate duplicates Z: 49 45.567 2.210 0.821 0.582 0.938 0.625 CB 1.612 68 residues pruned to eliminate duplicates Z: 17 42.740 2.318 0.837 0.941 1.000 1.000 CA 1.741 17 residues pruned to eliminate duplicates Z: 15 24.536 1.937 0.673 0.875 1.000 0.714 CA 1.472 15 residues pruned to eliminate duplicates Z: 22 46.995 2.360 0.909 0.886 0.905 0.667 CB 1.815 22 residues pruned to eliminate duplicates Z: 14 20.567 1.998 0.489 0.838 0.923 0.769 CA 1.552 14 residues pruned to eliminate duplicates Z: 17 22.988 2.194 0.871 0.460 0.875 0.688 CB 1.667 17 residues pruned to eliminate duplicates Z: 11 14.160 1.964 0.257 0.762 1.000 0.700 CA 1.437 11 residues pruned to eliminate duplicates Z: 11 14.586 2.040 0.295 0.720 0.900 0.600 CA 1.591 11 residues pruned to eliminate duplicates Z: 9 12.747 2.033 0.134 0.745 1.000 0.625 CB 1.570 9 residues pruned to eliminate duplicates Z: 41 34.659 2.172 0.712 0.408 0.950 0.600 CB 1.709 41 residues pruned to eliminate duplicates Z: 23 63.021 2.513 0.924 0.908 1.000 0.864 CB 1.974 23 residues pruned to eliminate duplicates Z: 17 21.292 2.115 0.895 0.478 0.938 0.625 CA 1.448 17 residues pruned to eliminate duplicates Z: 27 37.099 2.207 0.411 0.910 1.000 0.808 CB 1.656 27 residues pruned to eliminate duplicates Z: 7 16.503 2.231 0.336 0.843 1.000 1.000 C 1.683 7 residues pruned to eliminate duplicates Z: 14 19.007 1.941 0.293 0.857 1.000 0.769 CA 1.548 14 residues pruned to eliminate duplicates Z: 22 62.168 2.422 1.383 0.903 0.905 0.762 CB 1.852 22 residues pruned to eliminate duplicates Z: 18 27.666 2.333 1.007 0.318 0.941 0.706 CB 1.862 18 residues pruned to eliminate duplicates Z: 12 15.504 2.003 0.307 0.804 0.909 0.455 CB 1.507 12 residues pruned to eliminate duplicates Z: 22 57.757 2.423 1.243 0.893 0.905 0.333 CB 1.840 22 residues pruned to eliminate duplicates Z: 26 47.116 2.292 0.937 0.873 0.880 0.680 CB 1.757 26 residues pruned to eliminate duplicates Z: 11 18.315 2.106 0.419 0.787 0.900 0.700 CB 1.673 11 residues pruned to eliminate duplicates Z: 105 84.069 2.413 0.897 0.540 0.952 0.673 CB 1.820 105 residues pruned to eliminate duplicates Z: 157 105.602 2.369 0.981 0.591 0.955 0.628 CB 1.729 157 residues pruned to eliminate duplicates Z: 150 105.043 2.406 0.909 0.613 0.940 0.678 CB 1.792 150 residues pruned to eliminate duplicates Z: 9 12.204 1.885 0.344 0.748 1.000 0.750 CB 1.365 9 residues pruned to eliminate duplicates Z: 10 7.649 1.856 0.615 0.366 0.778 0.556 CB 1.262 Z: 15 21.607 1.900 0.447 0.865 1.000 0.643 CA 1.538 15 residues pruned to eliminate duplicates Z: 10 10.533 1.829 0.195 0.811 0.889 0.778 CA 1.378 10 residues pruned to eliminate duplicates Z: 126 94.649 2.423 0.914 0.620 0.896 0.688 CB 1.819 126 residues pruned to eliminate duplicates Z: 12 14.922 1.962 0.319 0.783 0.909 0.636 CB 1.491 12 residues pruned to eliminate duplicates Z: 9 7.323 1.844 0.192 0.475 0.875 0.375 CB 1.380 9 residues pruned to eliminate duplicates Z: 18 58.555 2.467 1.253 0.850 1.000 0.824 CB 1.893 Z: 25 52.440 2.402 0.654 0.911 1.000 0.875 CB 1.909 25 residues pruned to eliminate duplicates Z: 16 31.801 2.249 0.532 0.897 1.000 0.600 CB 1.706 16 residues pruned to eliminate duplicates Z: 11 9.821 1.842 0.112 0.692 0.900 0.600 CA 1.413 11 residues pruned to eliminate duplicates Z: 114 106.698 2.459 0.976 0.676 0.965 0.690 CB 1.822 115 residues pruned to eliminate duplicates Z: 15 26.715 1.906 0.818 0.874 1.000 0.500 CA 1.499 15 residues pruned to eliminate duplicates Z: 25 38.650 2.378 0.342 0.894 0.958 0.917 CB 1.850 25 residues pruned to eliminate duplicates Z: 15 26.782 1.924 0.854 0.859 1.000 0.500 CA 1.477 15 residues pruned to eliminate duplicates Z: 9 16.265 1.932 0.576 0.830 1.000 0.875 CB 1.420 9 residues pruned to eliminate duplicates Z: 21 66.390 2.532 1.253 0.894 0.950 0.850 CB 1.965 21 residues pruned to eliminate duplicates Z: 17 33.535 2.273 0.690 0.921 1.000 1.000 CA 1.535 17 residues pruned to eliminate duplicates Z: 26 47.234 2.296 0.697 0.888 0.960 0.840 CB 1.819 26 residues pruned to eliminate duplicates Z: 26 40.235 2.265 0.447 0.920 1.000 0.880 CB 1.730 26 residues pruned to eliminate duplicates Z: 21 67.386 2.577 1.175 0.907 0.950 0.950 C 2.011 21 residues pruned to eliminate duplicates Z: 151 105.935 2.405 0.888 0.601 0.960 0.673 CB 1.802 150 residues pruned to eliminate duplicates Z: 17 23.008 2.113 0.324 0.857 0.875 0.812 CB 1.732 17 residues pruned to eliminate duplicates Z: 19 15.106 2.148 0.850 0.244 0.833 0.500 CB 1.445 19 residues pruned to eliminate duplicates Z: 22 71.780 2.398 1.650 0.904 0.952 0.762 C 1.844 22 residues pruned to eliminate duplicates Z: 89 78.452 2.388 0.894 0.632 0.920 0.705 CB 1.775 89 residues pruned to eliminate duplicates Z: 80 70.582 2.397 0.650 0.691 0.937 0.797 CB 1.800 80 residues pruned to eliminate duplicates Z: 12 16.443 1.979 0.252 0.784 1.000 0.545 CB 1.558 12 residues pruned to eliminate duplicates Z: 30 28.387 2.207 0.604 0.470 0.931 0.724 CB 1.650 30 residues pruned to eliminate duplicates Z: 17 32.259 2.291 0.493 0.930 1.000 0.812 CA 1.649 17 residues pruned to eliminate duplicates Z: 149 98.792 2.370 0.853 0.588 0.953 0.696 CB 1.783 149 residues pruned to eliminate duplicates Z: 7 5.767 2.116 0.097 0.567 0.667 0.500 CB 1.426 7 residues pruned to eliminate duplicates Z: 25 52.159 2.317 0.707 0.911 1.000 0.833 CA 1.909 25 residues pruned to eliminate duplicates Z: 6 6.869 1.379 0.795 0.691 1.000 1.000 CA 1.043 Z: 11 20.032 2.101 0.462 0.752 1.000 0.500 CB 1.647 11 residues pruned to eliminate duplicates Z: 15 19.448 1.916 0.351 0.883 1.000 0.643 CA 1.452 15 residues pruned to eliminate duplicates Z: 8 4.915 1.879 0.723 0.274 0.714 0.429 CB 1.038 8 residues pruned to eliminate duplicates Z: 26 51.907 2.318 0.851 0.878 0.960 0.760 CB 1.829 26 residues pruned to eliminate duplicates Z: 76 68.689 2.390 0.852 0.535 0.973 0.707 CB 1.779 76 residues pruned to eliminate duplicates Z: 26 46.271 2.313 0.729 0.859 0.920 0.720 CB 1.850 26 residues pruned to eliminate duplicates Z: 17 45.480 2.285 1.101 0.952 1.000 0.938 CA 1.632 17 residues pruned to eliminate duplicates Z: 46 76.233 2.477 1.282 0.602 1.000 0.622 CB 1.824 46 residues pruned to eliminate duplicates Z: 17 35.631 2.297 0.593 0.914 1.000 0.875 CA 1.722 17 residues pruned to eliminate duplicates Z: 22 44.832 2.314 0.725 0.893 1.000 0.952 CB 1.759 22 residues pruned to eliminate duplicates Z: 50 44.200 2.184 0.676 0.600 0.939 0.755 CB 1.671 50 residues pruned to eliminate duplicates Z: 10 10.018 1.839 0.019 0.785 1.000 0.778 C 1.386 10 residues pruned to eliminate duplicates Z: 15 66.785 2.444 1.660 0.924 1.000 0.857 CB 1.929 18 residues pruned to eliminate duplicates Z: 18 13.566 2.116 0.704 0.267 0.941 0.529 CB 1.265 18 residues pruned to eliminate duplicates Z: 17 35.598 2.309 0.624 0.930 1.000 0.875 CA 1.660 17 residues pruned to eliminate duplicates Z: 25 66.885 2.404 1.079 0.924 1.000 0.750 C 1.918 25 residues pruned to eliminate duplicates Z: 25 42.338 2.363 0.702 0.668 1.000 0.750 CB 1.840 25 residues pruned to eliminate duplicates Z: 15 59.126 2.408 1.500 0.928 1.000 0.643 CB 1.839 15 residues pruned to eliminate duplicates Z: 32 23.459 2.094 0.589 0.455 0.935 0.742 CB 1.417 32 residues pruned to eliminate duplicates Z: 150 106.832 2.401 0.923 0.609 0.946 0.685 CB 1.808 150 residues pruned to eliminate duplicates Z: 51 55.973 2.449 1.022 0.527 0.840 0.560 CB 1.853 51 residues pruned to eliminate duplicates Z: 72 86.239 2.411 0.925 0.727 0.972 0.718 CB 1.848 74 residues pruned to eliminate duplicates Z: 123 103.908 2.415 0.996 0.637 0.934 0.656 CB 1.836 123 residues pruned to eliminate duplicates Z: 15 31.357 2.334 0.705 0.901 1.000 0.786 CB 1.504 15 residues pruned to eliminate duplicates Z: 173 115.221 2.394 0.957 0.594 0.942 0.651 CB 1.819 164 residues pruned to eliminate duplicates Z: 9 12.678 1.931 0.398 0.817 0.875 0.750 CA 1.441 9 residues pruned to eliminate duplicates Z: 14 21.993 1.951 0.453 0.866 1.000 0.846 CB 1.575 14 residues pruned to eliminate duplicates Z: 9 14.245 2.154 0.158 0.710 1.000 0.875 CA 1.670 9 residues pruned to eliminate duplicates Z: 41 50.233 2.360 0.695 0.700 0.925 0.700 CB 1.788 41 residues pruned to eliminate duplicates Z: 29 55.942 2.436 1.249 0.624 0.964 0.643 CB 1.780 29 residues pruned to eliminate duplicates Z: 10 14.769 1.864 0.394 0.759 1.000 0.889 C 1.505 10 residues pruned to eliminate duplicates Z: 19 46.928 2.376 1.008 0.863 1.000 0.833 CB 1.702 19 residues pruned to eliminate duplicates Z: 21 49.741 2.401 1.206 0.730 0.900 0.600 C 1.898 21 residues pruned to eliminate duplicates Z: 27 22.271 1.981 0.469 0.561 0.923 0.692 CB 1.532 27 residues pruned to eliminate duplicates Z: 38 34.549 2.254 0.810 0.384 0.946 0.622 CB 1.665 38 residues pruned to eliminate duplicates Z: 131 101.322 2.440 0.910 0.598 0.954 0.708 CB 1.821 131 residues pruned to eliminate duplicates Z: 47 65.711 2.524 1.042 0.582 0.957 0.674 CB 1.816 47 residues pruned to eliminate duplicates Z: 156 106.660 2.402 0.921 0.597 0.948 0.645 CB 1.785 156 residues pruned to eliminate duplicates Z: 141 101.577 2.417 0.814 0.647 0.936 0.707 CB 1.824 141 residues pruned to eliminate duplicates Z: 16 16.112 2.056 0.436 0.614 0.867 0.600 CB 1.459 16 residues pruned to eliminate duplicates Z: 29 27.100 2.024 0.751 0.481 0.929 0.714 CB 1.587 29 residues pruned to eliminate duplicates Z: 9 6.267 1.848 0.896 0.235 0.750 0.375 CB 1.147 9 residues pruned to eliminate duplicates Z: 146 103.095 2.372 0.892 0.596 0.979 0.683 CB 1.776 146 residues pruned to eliminate duplicates Z: 9 16.178 1.887 0.508 0.910 1.000 0.625 CA 1.425 9 residues pruned to eliminate duplicates Z: 85 72.618 2.325 0.990 0.517 0.964 0.595 CB 1.747 85 residues pruned to eliminate duplicates Z: 23 72.478 2.388 1.529 0.925 0.955 0.636 CB 1.881 23 residues pruned to eliminate duplicates Z: 149 116.469 2.404 1.073 0.607 0.959 0.689 CB 1.809 149 residues pruned to eliminate duplicates Z: 150 97.730 2.371 0.806 0.596 0.966 0.644 CB 1.766 150 residues pruned to eliminate duplicates Z: 50 45.317 2.238 0.773 0.592 0.918 0.673 CB 1.626 37 residues pruned to eliminate duplicates Z: 8 12.272 1.946 0.118 0.858 1.000 0.714 CB 1.570 8 residues pruned to eliminate duplicates Z: 22 20.532 2.199 0.727 0.491 0.857 0.667 CB 1.388 22 residues pruned to eliminate duplicates Z: 9 19.533 2.062 0.462 0.902 1.000 0.750 CA 1.634 12 residues pruned to eliminate duplicates Z: 29 29.943 2.233 0.512 0.608 0.929 0.643 CB 1.629 29 residues pruned to eliminate duplicates Z: 67 63.807 2.330 0.695 0.694 0.955 0.667 CB 1.745 67 residues pruned to eliminate duplicates Z: 10 5.675 1.670 0.577 0.414 0.778 0.333 CB 1.010 Z: 33 43.244 2.309 0.930 0.552 0.938 0.719 CA 1.739 33 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 21 44.720 2.297 1.060 0.740 0.950 0.700 C 1.794 21 residues pruned to eliminate duplicates Z: 36 44.680 2.317 0.790 0.610 0.943 0.686 CB 1.741 36 residues pruned to eliminate duplicates Z: 30 40.823 2.249 1.020 0.611 0.897 0.759 CB 1.675 40 residues pruned to eliminate duplicates Z: 52 47.001 2.222 0.863 0.597 0.922 0.627 CB 1.573 52 residues pruned to eliminate duplicates Z: 48 46.516 2.230 0.769 0.616 0.936 0.638 CB 1.647 48 residues pruned to eliminate duplicates Z: 49 44.945 2.214 0.801 0.610 0.917 0.604 CB 1.599 49 residues pruned to eliminate duplicates Z: 25 47.415 2.352 1.166 0.662 0.958 0.708 CB 1.706 25 residues pruned to eliminate duplicates Z: 26 42.981 2.339 1.133 0.661 0.920 0.680 CB 1.613 26 residues pruned to eliminate duplicates Z: 23 45.783 2.307 1.023 0.692 0.955 0.682 CB 1.837 23 residues pruned to eliminate duplicates Z: 24 51.238 2.369 1.026 0.723 1.000 0.826 CB 1.820 24 residues pruned to eliminate duplicates Z: 47 50.460 2.287 0.853 0.648 0.935 0.696 CB 1.636 47 residues pruned to eliminate duplicates Z: 48 50.639 2.267 0.852 0.623 0.936 0.638 CB 1.673 48 residues pruned to eliminate duplicates Z: 24 45.021 2.330 0.962 0.688 0.957 0.652 CB 1.807 24 residues pruned to eliminate duplicates Z: 56 48.073 2.224 0.930 0.562 0.909 0.745 CB 1.564 46 residues pruned to eliminate duplicates Z: 19 52.219 2.450 1.020 0.857 1.000 0.722 CB 1.832 19 residues pruned to eliminate duplicates Z: 48 49.194 2.260 0.830 0.627 0.957 0.638 CB 1.608 48 residues pruned to eliminate duplicates Z: 49 42.470 2.189 0.822 0.613 0.917 0.688 CB 1.506 49 residues pruned to eliminate duplicates Z: 106 82.047 2.339 0.817 0.657 0.943 0.686 CB 1.728 106 residues pruned to eliminate duplicates Z: 98 85.689 2.337 0.895 0.671 0.948 0.649 CB 1.768 98 residues pruned to eliminate duplicates Z: 173 116.976 2.388 0.935 0.617 0.959 0.692 CB 1.801 173 residues pruned to eliminate duplicates Z: 183 106.483 2.381 0.857 0.588 0.934 0.665 CB 1.757 183 residues pruned to eliminate duplicates Z: 155 104.824 2.397 0.912 0.595 0.942 0.649 CB 1.786 155 residues pruned to eliminate duplicates Z: 96 86.012 2.359 0.814 0.686 0.968 0.747 CB 1.796 96 residues pruned to eliminate duplicates Z: 172 115.352 2.402 0.888 0.614 0.959 0.690 CB 1.822 172 residues pruned to eliminate duplicates Z: 150 99.424 2.400 0.861 0.600 0.933 0.678 CB 1.777 150 residues pruned to eliminate duplicates Z: 150 103.759 2.398 0.879 0.600 0.946 0.658 CB 1.813 150 residues pruned to eliminate duplicates Z: 150 103.070 2.402 0.832 0.606 0.960 0.664 CB 1.809 150 residues pruned to eliminate duplicates Z: 74 73.937 2.386 0.788 0.693 0.945 0.726 CB 1.798 74 residues pruned to eliminate duplicates Z: 150 105.779 2.413 0.886 0.601 0.953 0.644 CB 1.815 150 residues pruned to eliminate duplicates Z: 130 101.283 2.449 0.893 0.609 0.946 0.620 CB 1.835 130 residues pruned to eliminate duplicates Z: 73 72.721 2.379 0.721 0.696 0.958 0.708 CB 1.826 73 residues pruned to eliminate duplicates Z: 73 76.571 2.414 0.712 0.722 0.972 0.778 CB 1.839 73 residues pruned to eliminate duplicates Z: 73 74.737 2.401 0.739 0.706 0.958 0.750 CB 1.825 73 residues pruned to eliminate duplicates Z: 150 102.146 2.402 0.841 0.613 0.953 0.691 CB 1.783 150 residues pruned to eliminate duplicates Z: 93 82.008 2.354 0.783 0.677 0.957 0.750 CB 1.809 93 residues pruned to eliminate duplicates Z: 72 78.695 2.422 0.774 0.714 0.958 0.718 CB 1.870 72 residues pruned to eliminate duplicates Z: 153 99.794 2.385 0.840 0.594 0.941 0.632 CB 1.791 153 residues pruned to eliminate duplicates Z: 154 103.092 2.401 0.879 0.594 0.941 0.719 CB 1.794 154 residues pruned to eliminate duplicates Z: 82 71.068 2.396 0.713 0.666 0.938 0.691 CB 1.759 82 residues pruned to eliminate duplicates Z: 159 91.245 2.381 0.744 0.567 0.937 0.646 CB 1.750 159 residues pruned to eliminate duplicates Z: 149 99.881 2.383 0.791 0.604 0.973 0.703 CB 1.790 149 residues pruned to eliminate duplicates Z: 151 104.134 2.397 0.843 0.608 0.960 0.713 CB 1.809 151 residues pruned to eliminate duplicates Z: 73 78.025 2.401 0.729 0.726 0.986 0.778 CB 1.833 73 residues pruned to eliminate duplicates Z: 150 102.445 2.405 0.814 0.600 0.973 0.705 CB 1.797 150 residues pruned to eliminate duplicates Z: 120 99.329 2.443 0.886 0.649 0.941 0.731 CB 1.827 120 residues pruned to eliminate duplicates Z: 172 105.781 2.390 0.799 0.604 0.953 0.667 CB 1.788 172 residues pruned to eliminate duplicates Z: 156 103.341 2.400 0.906 0.591 0.935 0.658 CB 1.778 156 residues pruned to eliminate duplicates Z: 78 76.741 2.372 0.881 0.672 0.948 0.727 CB 1.763 78 residues pruned to eliminate duplicates Z: 128 113.093 2.468 0.958 0.635 0.992 0.661 CB 1.845 128 residues pruned to eliminate duplicates Z: 79 72.690 2.383 0.800 0.666 0.936 0.667 CB 1.758 79 residues pruned to eliminate duplicates Z: 150 105.204 2.417 0.851 0.603 0.960 0.678 CB 1.820 150 residues pruned to eliminate duplicates Z: 150 106.803 2.406 0.910 0.610 0.953 0.671 CB 1.800 150 residues pruned to eliminate duplicates Z: 138 101.120 2.447 0.949 0.593 0.927 0.635 CB 1.787 138 residues pruned to eliminate duplicates Z: 150 106.719 2.400 0.910 0.611 0.953 0.678 CB 1.801 150 residues pruned to eliminate duplicates Z: 150 105.436 2.404 0.890 0.608 0.960 0.651 CB 1.788 150 residues pruned to eliminate duplicates Z: 152 102.851 2.384 0.894 0.603 0.947 0.662 CB 1.775 152 residues pruned to eliminate duplicates Z: 73 80.293 2.395 0.903 0.704 0.944 0.597 CB 1.825 73 residues pruned to eliminate duplicates Z: 108 89.819 2.428 0.902 0.652 0.897 0.664 CB 1.820 108 residues pruned to eliminate duplicates Z: 150 106.568 2.391 0.902 0.616 0.953 0.685 CB 1.804 150 residues pruned to eliminate duplicates Z: 149 115.015 2.402 1.025 0.608 0.966 0.676 CB 1.815 149 residues pruned to eliminate duplicates Z: 81 78.925 2.391 0.872 0.680 0.938 0.688 CB 1.783 81 residues pruned to eliminate duplicates Z: 160 101.460 2.394 0.904 0.587 0.918 0.673 CB 1.768 160 residues pruned to eliminate duplicates Z: 113 109.112 2.470 0.969 0.670 0.982 0.634 CB 1.844 113 residues pruned to eliminate duplicates Z: 149 108.707 2.419 0.904 0.614 0.953 0.649 CB 1.829 149 residues pruned to eliminate duplicates Z: 151 103.358 2.383 0.893 0.601 0.960 0.687 CB 1.769 151 residues pruned to eliminate duplicates Z: 150 107.881 2.405 0.970 0.605 0.940 0.685 CB 1.797 150 residues pruned to eliminate duplicates Z: 151 104.773 2.394 0.915 0.607 0.940 0.667 CB 1.794 151 residues pruned to eliminate duplicates Z: 150 103.450 2.394 0.888 0.607 0.953 0.685 CB 1.777 150 residues pruned to eliminate duplicates Z: 73 90.474 2.413 0.961 0.720 1.000 0.750 CB 1.847 73 residues pruned to eliminate duplicates Z: 73 83.180 2.367 0.930 0.712 0.958 0.694 CB 1.848 73 residues pruned to eliminate duplicates Z: 150 105.933 2.393 0.933 0.595 0.946 0.685 CB 1.811 150 residues pruned to eliminate duplicates Z: 28 54.287 2.454 0.926 0.668 1.000 0.815 CA 1.892 28 residues pruned to eliminate duplicates Z: 159 101.383 2.383 0.877 0.583 0.943 0.595 CB 1.766 159 residues pruned to eliminate duplicates Z: 156 112.441 2.405 0.984 0.603 0.955 0.677 CB 1.798 156 residues pruned to eliminate duplicates Z: 16 39.978 2.394 0.682 0.951 1.000 0.933 CA 1.767 16 residues pruned to eliminate duplicates Z: 106 87.643 2.373 0.955 0.646 0.914 0.657 CB 1.759 106 residues pruned to eliminate duplicates Z: 149 106.953 2.384 0.906 0.619 0.966 0.662 CB 1.790 149 residues pruned to eliminate duplicates Z: 166 114.747 2.424 0.979 0.594 0.933 0.648 CB 1.823 166 residues pruned to eliminate duplicates Z: 30 50.680 2.343 0.989 0.640 0.966 0.690 CA 1.835 30 residues pruned to eliminate duplicates Z: 149 108.671 2.400 0.925 0.603 0.953 0.676 CB 1.840 149 residues pruned to eliminate duplicates Z: 114 109.060 2.464 1.022 0.675 0.956 0.726 CB 1.834 114 residues pruned to eliminate duplicates Z: 153 118.964 2.430 1.021 0.620 0.947 0.664 CB 1.851 153 residues pruned to eliminate duplicates Z: 80 89.922 2.431 0.992 0.698 0.949 0.734 CB 1.837 80 residues pruned to eliminate duplicates Z: 156 104.339 2.397 0.928 0.589 0.935 0.639 CB 1.780 156 residues pruned to eliminate duplicates Z: 150 109.578 2.413 0.961 0.608 0.940 0.678 CB 1.822 150 residues pruned to eliminate duplicates Z: 113 108.631 2.468 1.013 0.671 0.955 0.679 CB 1.848 113 residues pruned to eliminate duplicates Z: 161 106.011 2.398 0.960 0.588 0.925 0.637 CB 1.772 161 residues pruned to eliminate duplicates Z: 127 102.218 2.434 0.901 0.623 0.952 0.659 CB 1.840 127 residues pruned to eliminate duplicates Z: 150 103.978 2.401 0.890 0.598 0.946 0.678 CB 1.807 150 residues pruned to eliminate duplicates Z: 150 110.277 2.416 0.961 0.595 0.953 0.624 CB 1.828 150 residues pruned to eliminate duplicates Z: 83 87.830 2.523 1.049 0.545 0.951 0.610 CB 1.886 83 residues pruned to eliminate duplicates Z: 147 103.169 2.394 0.921 0.619 0.938 0.699 CB 1.767 147 residues pruned to eliminate duplicates Z: 157 102.628 2.391 0.906 0.586 0.929 0.699 CB 1.787 157 residues pruned to eliminate duplicates Z: 119 104.779 2.455 0.968 0.648 0.949 0.627 CB 1.833 119 residues pruned to eliminate duplicates Z: 115 102.246 2.450 0.964 0.657 0.956 0.623 CB 1.798 115 residues pruned to eliminate duplicates Z: 116 100.182 2.425 0.986 0.665 0.904 0.678 CB 1.841 116 residues pruned to eliminate duplicates Z: 150 106.228 2.413 0.887 0.608 0.960 0.691 CB 1.797 150 residues pruned to eliminate duplicates Z: 150 104.686 2.396 0.900 0.605 0.946 0.671 CB 1.802 150 residues pruned to eliminate duplicates Z: 150 110.099 2.407 0.943 0.609 0.966 0.671 CB 1.799 150 residues pruned to eliminate duplicates Z: 157 103.487 2.392 0.927 0.596 0.942 0.660 CB 1.741 157 residues pruned to eliminate duplicates Z: 149 112.075 2.429 0.976 0.611 0.939 0.662 CB 1.838 149 residues pruned to eliminate duplicates Z: 141 115.328 2.441 1.049 0.644 0.929 0.700 CB 1.834 141 residues pruned to eliminate duplicates Z: 156 101.121 2.392 0.873 0.593 0.935 0.690 CB 1.773 156 residues pruned to eliminate duplicates Z: 149 107.911 2.410 0.898 0.608 0.959 0.723 CB 1.824 149 residues pruned to eliminate duplicates Z: 128 104.505 2.459 0.924 0.613 0.953 0.677 CB 1.848 128 residues pruned to eliminate duplicates Z: 66 69.450 2.396 0.892 0.562 0.969 0.631 CB 1.846 66 residues pruned to eliminate duplicates Z: 149 105.471 2.404 0.915 0.606 0.946 0.723 CB 1.800 149 residues pruned to eliminate duplicates Z: 41 57.409 2.502 1.060 0.604 0.925 0.750 CB 1.725 41 residues pruned to eliminate duplicates Z: 150 104.288 2.411 0.905 0.605 0.933 0.698 CB 1.805 150 residues pruned to eliminate duplicates Z: 115 101.560 2.441 0.951 0.649 0.956 0.623 CB 1.818 115 residues pruned to eliminate duplicates Z: 151 108.121 2.389 0.952 0.598 0.960 0.633 CB 1.795 151 residues pruned to eliminate duplicates Z: 150 107.591 2.410 0.915 0.605 0.960 0.658 CB 1.801 150 residues pruned to eliminate duplicates Z: 150 109.638 2.406 0.956 0.614 0.940 0.617 CB 1.823 150 residues pruned to eliminate duplicates Z: 149 109.411 2.406 0.974 0.619 0.932 0.696 CB 1.815 149 residues pruned to eliminate duplicates Z: 103 90.270 2.443 0.984 0.556 0.951 0.686 CB 1.835 103 residues pruned to eliminate duplicates Z: 149 109.721 2.413 0.914 0.606 0.966 0.669 CB 1.827 149 residues pruned to eliminate duplicates Z: 118 108.078 2.446 0.997 0.653 0.974 0.701 CB 1.820 118 residues pruned to eliminate duplicates Z: 151 106.547 2.385 0.946 0.603 0.953 0.720 CB 1.782 151 residues pruned to eliminate duplicates Z: 147 105.186 2.394 0.927 0.596 0.938 0.726 CB 1.836 147 residues pruned to eliminate duplicates Z: 116 102.163 2.428 1.001 0.650 0.948 0.687 CB 1.800 116 residues pruned to eliminate duplicates Z: 148 100.005 2.406 0.956 0.562 0.925 0.633 CB 1.785 148 residues pruned to eliminate duplicates Z: 107 82.169 2.363 0.966 0.553 0.943 0.679 CB 1.730 107 residues pruned to eliminate duplicates Z: 114 109.424 2.439 1.041 0.680 0.956 0.619 CB 1.832 114 residues pruned to eliminate duplicates Z: 151 111.148 2.401 0.970 0.605 0.960 0.680 CB 1.809 151 residues pruned to eliminate duplicates Z: 161 109.697 2.390 0.980 0.584 0.950 0.650 CB 1.780 161 residues pruned to eliminate duplicates Z: 139 107.372 2.411 1.053 0.586 0.949 0.601 CB 1.791 139 residues pruned to eliminate duplicates Z: 149 110.066 2.407 0.953 0.600 0.966 0.655 CB 1.811 149 residues pruned to eliminate duplicates Z: 150 109.889 2.412 0.981 0.601 0.946 0.624 CB 1.809 150 residues pruned to eliminate duplicates Z: 70 79.484 2.399 1.154 0.527 0.971 0.609 CB 1.856 70 residues pruned to eliminate duplicates Z: 149 116.072 2.425 1.000 0.607 0.966 0.635 CB 1.840 149 residues pruned to eliminate duplicates Z: 160 103.347 2.397 0.938 0.577 0.931 0.635 CB 1.760 160 residues pruned to eliminate duplicates Z: 106 87.399 2.417 1.025 0.539 0.924 0.610 CB 1.816 106 residues pruned to eliminate duplicates Z: 161 105.269 2.384 0.969 0.583 0.931 0.581 CB 1.758 161 residues pruned to eliminate duplicates Z: 152 109.123 2.388 0.951 0.595 0.960 0.675 CB 1.812 152 residues pruned to eliminate duplicates Z: 149 107.373 2.411 0.884 0.608 0.959 0.662 CB 1.828 149 residues pruned to eliminate duplicates Z: 159 115.971 2.422 1.047 0.598 0.937 0.646 CB 1.810 159 residues pruned to eliminate duplicates Z: 139 102.737 2.431 0.981 0.585 0.935 0.645 CB 1.791 139 residues pruned to eliminate duplicates Z: 150 109.518 2.403 0.987 0.601 0.940 0.678 CB 1.816 150 residues pruned to eliminate duplicates Z: 32 31.244 2.223 0.742 0.455 0.968 0.677 CB 1.569 32 residues pruned to eliminate duplicates Z: 127 109.714 2.471 0.960 0.624 0.952 0.667 CB 1.886 127 residues pruned to eliminate duplicates Z: 36 37.720 2.229 0.782 0.441 1.000 0.657 CB 1.706 36 residues pruned to eliminate duplicates Z: 150 111.666 2.410 0.964 0.618 0.953 0.678 CB 1.814 150 residues pruned to eliminate duplicates Z: 162 119.507 2.446 1.026 0.593 0.944 0.683 CB 1.842 162 residues pruned to eliminate duplicates Z: 32 30.459 2.199 0.683 0.457 0.968 0.645 CB 1.595 32 residues pruned to eliminate duplicates Z: 32 27.966 2.180 0.638 0.460 0.903 0.677 CB 1.622 32 residues pruned to eliminate duplicates Z: 34 33.442 2.237 0.688 0.427 0.970 0.636 CB 1.715 34 residues pruned to eliminate duplicates Z: 36 31.956 2.130 0.834 0.379 0.971 0.629 CB 1.619 36 residues pruned to eliminate duplicates Z: 172 126.399 2.410 1.036 0.624 0.965 0.632 CB 1.818 172 residues pruned to eliminate duplicates Z: 31 28.319 2.208 0.647 0.411 0.967 0.533 CB 1.615 31 residues pruned to eliminate duplicates Z: 32 28.470 2.193 0.729 0.441 0.903 0.677 CB 1.587 32 residues pruned to eliminate duplicates Z: 150 111.030 2.414 0.961 0.604 0.953 0.698 CB 1.826 150 residues pruned to eliminate duplicates Z: 22 23.171 2.046 0.588 0.524 0.952 0.714 CB 1.596 22 residues pruned to eliminate duplicates Z: 22 19.969 2.007 0.443 0.514 0.952 0.714 CB 1.558 22 residues pruned to eliminate duplicates Z: 20 25.321 2.111 0.626 0.496 0.947 0.684 C 1.792 20 residues pruned to eliminate duplicates Z: 159 106.502 2.399 0.922 0.584 0.943 0.658 CB 1.798 159 residues pruned to eliminate duplicates Z: 149 106.384 2.409 0.917 0.608 0.932 0.709 CB 1.833 149 residues pruned to eliminate duplicates Z: 32 27.663 2.201 0.608 0.458 0.935 0.710 CB 1.567 32 residues pruned to eliminate duplicates Z: 22 18.470 1.966 0.485 0.517 0.857 0.619 CB 1.584 22 residues pruned to eliminate duplicates Z: 36 37.036 2.245 0.727 0.437 1.000 0.657 CB 1.724 36 residues pruned to eliminate duplicates Z: 17 23.264 2.034 0.639 0.687 1.000 0.750 CA 1.469 17 residues pruned to eliminate duplicates Z: 172 114.130 2.396 1.004 0.595 0.912 0.655 CB 1.819 172 residues pruned to eliminate duplicates Z: 16 26.325 2.002 0.810 0.732 1.000 0.467 CB 1.523 16 residues pruned to eliminate duplicates Z: 21 28.394 2.056 0.835 0.543 0.950 0.650 CB 1.698 21 residues pruned to eliminate duplicates Z: 15 27.857 1.999 0.840 0.772 1.000 0.571 CA 1.591 15 residues pruned to eliminate duplicates Z: 19 24.554 1.912 1.043 0.652 0.944 0.556 CA 1.362 19 residues pruned to eliminate duplicates Z: 35 29.882 2.158 0.769 0.433 0.941 0.471 CB 1.529 35 residues pruned to eliminate duplicates Z: 16 23.668 1.983 0.715 0.756 1.000 0.533 CB 1.431 16 residues pruned to eliminate duplicates Z: 11 6.114 2.068 0.808 0.217 0.600 0.400 CB 1.202 8 residues pruned to eliminate duplicates 179 residues left after pruning, divided into chains as follows: A: 8 B: 171 CC for partial structure against native data = 39.71 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.467, Connect. = 0.767 for dens.mod. cycle 1 = 0.300, Contrast = 0.537, Connect. = 0.792 for dens.mod. cycle 2 = 0.300, Contrast = 0.664, Connect. = 0.824 for dens.mod. cycle 3 = 0.300, Contrast = 0.683, Connect. = 0.827 for dens.mod. cycle 4 = 0.300, Contrast = 0.704, Connect. = 0.830 for dens.mod. cycle 5 = 0.300, Contrast = 0.715, Connect. = 0.832 for dens.mod. cycle 6 = 0.300, Contrast = 0.727, Connect. = 0.834 for dens.mod. cycle 7 = 0.300, Contrast = 0.735, Connect. = 0.834 for dens.mod. cycle 8 = 0.300, Contrast = 0.743, Connect. = 0.836 for dens.mod. cycle 9 = 0.300, Contrast = 0.749, Connect. = 0.836 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1348 peaks > 0.5 sigma used to seed fragment search Space for about 229 unique residues taking solvent into account 273 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 26 66.527 2.393 1.145 0.918 1.000 0.840 C 1.828 B: 22 69.191 2.451 1.318 0.909 0.952 0.714 C 1.981 C: 11 27.002 2.383 0.326 0.939 1.000 1.000 CA 1.878 D: 22 64.295 2.485 1.220 0.896 0.952 0.810 CB 1.913 21 residues pruned to eliminate duplicates E: 21 69.124 2.539 1.146 0.915 1.000 0.950 CB 2.005 22 residues pruned to eliminate duplicates F: 19 57.941 2.415 1.309 0.878 1.000 0.944 CB 1.777 G: 20 59.405 2.591 0.838 0.946 1.000 0.895 CB 1.979 22 residues pruned to eliminate duplicates H: 14 51.969 2.445 1.131 0.917 1.000 0.846 CB 1.951 14 residues pruned to eliminate duplicates I: 22 50.456 2.396 0.710 0.903 1.000 0.857 CA 1.915 22 residues pruned to eliminate duplicates J: 16 52.305 2.364 1.267 0.899 1.000 0.933 CB 1.802 16 residues pruned to eliminate duplicates K: 17 34.372 2.349 0.516 0.925 1.000 0.938 CA 1.693 11 residues pruned to eliminate duplicates L: 27 48.598 2.282 0.842 0.909 0.923 0.808 CB 1.744 27 residues pruned to eliminate duplicates M: 26 64.991 2.356 1.230 0.885 0.960 0.720 C 1.861 26 residues pruned to eliminate duplicates N: 22 58.775 2.431 1.267 0.887 0.905 0.810 CB 1.854 22 residues pruned to eliminate duplicates O: 25 66.341 2.468 0.911 0.922 1.000 0.750 C 2.019 25 residues pruned to eliminate duplicates P: 17 35.513 2.286 0.646 0.936 1.000 0.812 CA 1.643 17 residues pruned to eliminate duplicates Q: 24 50.827 2.390 0.703 0.934 1.000 0.913 CB 1.816 24 residues pruned to eliminate duplicates R: 23 57.345 2.458 0.776 0.922 1.000 0.864 C 1.969 23 residues pruned to eliminate duplicates S: 21 53.053 2.488 0.790 0.912 1.000 0.900 CB 1.885 21 residues pruned to eliminate duplicates T: 17 32.119 2.333 0.449 0.929 1.000 0.938 CA 1.662 17 residues pruned to eliminate duplicates U: 29 32.748 2.303 0.850 0.406 0.964 0.714 CB 1.663 V: 22 54.651 2.398 0.830 0.933 1.000 0.857 CA 1.897 22 residues pruned to eliminate duplicates W: 14 37.026 2.392 0.835 0.875 1.000 0.769 CB 1.701 14 residues pruned to eliminate duplicates X: 17 48.091 2.368 0.993 0.859 1.000 0.875 CA 1.875 17 residues pruned to eliminate duplicates Y: 17 30.828 2.339 0.380 0.940 1.000 0.938 CA 1.659 17 residues pruned to eliminate duplicates Z: 17 32.778 2.340 0.460 0.942 1.000 1.000 CA 1.663 17 residues pruned to eliminate duplicates Z: 21 62.358 2.520 1.052 0.899 1.000 0.750 CB 1.928 21 residues pruned to eliminate duplicates Z: 18 53.261 2.488 1.035 0.866 1.000 0.882 CB 1.868 18 residues pruned to eliminate duplicates Z: 17 43.537 2.344 0.980 0.891 0.938 0.938 C 1.798 17 residues pruned to eliminate duplicates Z: 19 51.064 2.406 1.051 0.869 1.000 0.889 CA 1.782 19 residues pruned to eliminate duplicates Z: 25 69.894 2.411 1.202 0.946 1.000 0.667 C 1.859 26 residues pruned to eliminate duplicates Z: 21 60.156 2.507 0.966 0.935 1.000 0.850 CB 1.902 21 residues pruned to eliminate duplicates Z: 17 52.581 2.535 1.059 0.874 0.938 0.875 CB 1.954 17 residues pruned to eliminate duplicates Z: 23 72.806 2.543 1.100 0.935 1.000 0.818 C 2.025 25 residues pruned to eliminate duplicates Z: 25 59.512 2.443 0.812 0.939 1.000 0.917 CB 1.906 25 residues pruned to eliminate duplicates Z: 25 55.182 2.444 0.726 0.916 0.958 0.833 CB 1.968 23 residues pruned to eliminate duplicates Z: 18 43.861 2.358 0.967 0.818 1.000 0.647 CB 1.741 18 residues pruned to eliminate duplicates Z: 25 47.067 2.322 0.732 0.873 0.958 0.708 CB 1.816 25 residues pruned to eliminate duplicates Z: 21 63.327 2.496 1.237 0.936 0.950 0.850 CB 1.859 21 residues pruned to eliminate duplicates Z: 14 45.278 2.544 1.095 0.848 0.923 0.846 CB 1.893 14 residues pruned to eliminate duplicates Z: 25 59.809 2.364 0.943 0.938 1.000 0.875 CB 1.848 25 residues pruned to eliminate duplicates Z: 25 43.694 2.371 0.445 0.901 1.000 0.917 CB 1.859 25 residues pruned to eliminate duplicates Z: 24 36.962 2.329 0.425 0.893 0.913 0.826 CB 1.825 24 residues pruned to eliminate duplicates Z: 26 57.917 2.351 1.025 0.877 0.960 0.680 CB 1.841 26 residues pruned to eliminate duplicates Z: 17 37.761 2.354 0.632 0.941 1.000 0.938 CA 1.705 17 residues pruned to eliminate duplicates Z: 15 23.791 1.980 0.595 0.854 1.000 0.857 CA 1.486 12 residues pruned to eliminate duplicates Z: 21 71.882 2.475 1.265 0.950 1.000 0.800 C 1.978 20 residues pruned to eliminate duplicates Z: 26 56.839 2.346 0.856 0.899 1.000 0.800 C 1.866 26 residues pruned to eliminate duplicates Z: 26 49.545 2.307 0.724 0.902 0.960 0.840 CB 1.850 26 residues pruned to eliminate duplicates Z: 26 41.866 2.332 0.559 0.872 0.920 0.760 CB 1.824 26 residues pruned to eliminate duplicates Z: 17 31.763 2.299 0.410 0.921 1.000 0.875 CA 1.724 17 residues pruned to eliminate duplicates Z: 21 50.752 2.440 0.665 0.924 1.000 0.950 CB 1.962 21 residues pruned to eliminate duplicates Z: 16 55.789 2.504 1.201 0.882 1.000 0.867 CB 1.891 16 residues pruned to eliminate duplicates Z: 15 35.740 2.314 0.667 0.863 0.929 0.857 CB 1.956 15 residues pruned to eliminate duplicates Z: 15 24.193 1.952 0.643 0.855 1.000 0.857 CA 1.487 15 residues pruned to eliminate duplicates Z: 22 57.798 2.423 0.950 0.918 0.952 0.762 C 1.977 22 residues pruned to eliminate duplicates Z: 149 116.733 2.417 1.011 0.612 0.966 0.689 CB 1.837 95 residues pruned to eliminate duplicates Z: 26 52.288 2.350 0.645 0.924 1.000 0.880 C 1.900 26 residues pruned to eliminate duplicates Z: 26 58.455 2.391 0.996 0.894 0.960 0.760 C 1.830 26 residues pruned to eliminate duplicates Z: 22 69.894 2.446 1.322 0.941 1.000 0.762 CB 1.863 22 residues pruned to eliminate duplicates Z: 21 67.321 2.512 1.173 0.904 1.000 0.850 CB 1.963 21 residues pruned to eliminate duplicates Z: 26 40.994 2.304 0.374 0.935 1.000 0.880 CB 1.805 26 residues pruned to eliminate duplicates Z: 21 46.539 2.455 0.733 0.903 0.950 0.850 CB 1.835 21 residues pruned to eliminate duplicates Z: 27 43.450 2.282 0.503 0.900 1.000 0.731 CB 1.775 27 residues pruned to eliminate duplicates Z: 22 63.130 2.478 1.168 0.914 0.952 0.810 CB 1.904 22 residues pruned to eliminate duplicates Z: 26 55.734 2.373 0.775 0.904 1.000 0.840 CB 1.884 26 residues pruned to eliminate duplicates Z: 20 40.535 2.302 0.747 0.836 1.000 0.895 CB 1.731 20 residues pruned to eliminate duplicates Z: 26 57.534 2.344 0.831 0.941 1.000 0.840 C 1.861 26 residues pruned to eliminate duplicates Z: 17 30.437 2.335 0.315 0.948 1.000 0.938 CA 1.712 17 residues pruned to eliminate duplicates Z: 19 47.150 2.329 1.028 0.895 1.000 0.944 CB 1.687 19 residues pruned to eliminate duplicates Z: 19 50.001 2.359 1.137 0.843 1.000 0.722 CB 1.741 19 residues pruned to eliminate duplicates Z: 22 69.983 2.442 1.411 0.910 0.952 0.571 C 1.930 22 residues pruned to eliminate duplicates Z: 27 56.261 2.301 0.937 0.888 1.000 0.731 CB 1.783 27 residues pruned to eliminate duplicates Z: 25 49.819 2.445 0.656 0.911 0.917 0.792 CB 1.942 25 residues pruned to eliminate duplicates Z: 7 6.490 1.745 0.472 0.434 0.833 0.333 C 1.325 7 residues pruned to eliminate duplicates Z: 17 32.708 2.328 0.447 0.921 1.000 0.875 CA 1.708 17 residues pruned to eliminate duplicates Z: 9 11.812 2.012 0.074 0.735 1.000 0.875 CB 1.564 9 residues pruned to eliminate duplicates Z: 9 13.899 2.023 0.333 0.709 1.000 1.000 CB 1.508 9 residues pruned to eliminate duplicates Z: 26 61.441 2.342 1.082 0.914 1.000 0.880 C 1.783 26 residues pruned to eliminate duplicates Z: 11 21.022 2.139 0.426 0.817 1.000 0.600 CB 1.655 11 residues pruned to eliminate duplicates Z: 17 40.326 2.365 0.824 0.936 1.000 1.000 CA 1.628 17 residues pruned to eliminate duplicates Z: 160 95.004 2.385 0.749 0.586 0.943 0.686 CB 1.762 149 residues pruned to eliminate duplicates Z: 22 17.547 2.372 0.812 0.185 0.810 0.429 CB 1.606 22 residues pruned to eliminate duplicates Z: 173 113.477 2.389 0.899 0.616 0.948 0.674 CB 1.804 183 residues pruned to eliminate duplicates Z: 12 14.590 2.038 0.317 0.750 0.818 0.636 CA 1.603 12 residues pruned to eliminate duplicates Z: 12 18.349 1.993 0.432 0.822 0.909 0.455 CA 1.613 12 residues pruned to eliminate duplicates Z: 19 30.431 2.125 0.497 0.858 1.000 0.722 CB 1.661 19 residues pruned to eliminate duplicates Z: 12 19.621 2.054 0.398 0.805 1.000 0.545 CB 1.580 12 residues pruned to eliminate duplicates Z: 9 5.382 2.021 0.586 0.250 0.625 0.500 CB 1.265 Z: 21 39.145 2.197 0.735 0.899 0.950 0.750 CB 1.728 21 residues pruned to eliminate duplicates Z: 74 78.853 2.402 0.789 0.722 0.959 0.726 CB 1.834 74 residues pruned to eliminate duplicates Z: 90 67.524 2.369 0.850 0.492 0.933 0.551 CB 1.766 90 residues pruned to eliminate duplicates Z: 21 78.585 2.547 1.478 0.957 0.950 0.900 C 2.012 21 residues pruned to eliminate duplicates Z: 17 38.664 2.316 0.695 0.944 1.000 0.938 CA 1.705 17 residues pruned to eliminate duplicates Z: 19 42.724 2.322 0.974 0.866 0.944 0.833 CB 1.703 28 residues pruned to eliminate duplicates Z: 9 11.913 2.021 0.133 0.749 1.000 0.875 CB 1.473 9 residues pruned to eliminate duplicates Z: 12 17.812 2.031 0.379 0.822 0.909 0.636 CB 1.596 12 residues pruned to eliminate duplicates Z: 9 17.622 2.186 0.256 0.788 1.000 0.500 CA 1.762 9 residues pruned to eliminate duplicates Z: 9 9.455 2.001 0.032 0.803 0.875 0.875 CB 1.419 9 residues pruned to eliminate duplicates Z: 27 55.618 2.276 1.138 0.853 0.923 0.692 CB 1.794 27 residues pruned to eliminate duplicates Z: 18 49.558 2.452 1.088 0.837 0.941 0.647 CB 1.866 18 residues pruned to eliminate duplicates Z: 15 21.163 1.954 0.514 0.859 1.000 1.000 CA 1.406 15 residues pruned to eliminate duplicates Z: 86 72.932 2.406 0.880 0.514 0.965 0.706 CB 1.788 86 residues pruned to eliminate duplicates Z: 23 45.933 2.424 0.538 0.880 0.955 0.864 C 1.995 23 residues pruned to eliminate duplicates Z: 22 54.848 2.401 0.886 0.894 1.000 0.857 CA 1.896 22 residues pruned to eliminate duplicates Z: 16 31.322 2.278 1.025 0.535 0.933 0.733 CA 1.814 16 residues pruned to eliminate duplicates Z: 16 44.340 2.422 0.812 0.944 1.000 0.933 CA 1.806 16 residues pruned to eliminate duplicates Z: 18 41.141 2.308 1.004 0.824 0.941 0.765 CB 1.731 18 residues pruned to eliminate duplicates Z: 10 11.542 2.102 -0.096 0.808 0.889 0.778 CA 1.742 10 residues pruned to eliminate duplicates Z: 168 109.332 2.388 0.915 0.592 0.934 0.695 CB 1.814 168 residues pruned to eliminate duplicates Z: 8 15.348 2.164 0.281 0.824 1.000 0.857 CA 1.580 8 residues pruned to eliminate duplicates Z: 16 20.721 1.868 0.443 0.853 1.000 0.867 CA 1.468 16 residues pruned to eliminate duplicates Z: 25 42.906 2.418 0.354 0.929 1.000 0.792 CB 1.871 25 residues pruned to eliminate duplicates Z: 17 45.385 2.348 0.916 0.949 1.000 0.812 CA 1.741 17 residues pruned to eliminate duplicates Z: 28 20.062 2.203 0.690 0.212 0.889 0.593 CB 1.638 28 residues pruned to eliminate duplicates Z: 138 102.606 2.409 0.928 0.589 0.956 0.679 CB 1.812 138 residues pruned to eliminate duplicates Z: 12 16.538 2.082 0.212 0.818 0.909 0.636 CB 1.649 12 residues pruned to eliminate duplicates Z: 13 13.485 1.945 0.304 0.717 0.833 0.583 CA 1.514 13 residues pruned to eliminate duplicates Z: 23 51.685 2.494 0.539 0.930 1.000 0.818 C 2.008 23 residues pruned to eliminate duplicates Z: 21 62.470 2.501 1.085 0.901 0.950 0.850 CB 2.012 21 residues pruned to eliminate duplicates Z: 16 45.367 2.393 0.820 0.927 1.000 0.800 CA 1.885 16 residues pruned to eliminate duplicates Z: 11 14.731 2.092 0.070 0.800 1.000 0.800 CA 1.601 11 residues pruned to eliminate duplicates Z: 117 99.974 2.446 0.913 0.661 0.940 0.733 CB 1.818 117 residues pruned to eliminate duplicates Z: 11 13.674 2.141 -0.059 0.822 1.000 0.700 CB 1.623 11 residues pruned to eliminate duplicates Z: 11 16.951 2.001 0.400 0.835 0.900 0.600 CA 1.592 11 residues pruned to eliminate duplicates Z: 15 23.466 1.955 0.675 0.868 0.929 0.571 CA 1.508 15 residues pruned to eliminate duplicates Z: 9 15.410 1.892 0.488 0.832 1.000 0.875 CB 1.453 9 residues pruned to eliminate duplicates Z: 11 8.187 2.111 0.630 0.365 0.800 0.500 CB 1.088 Z: 15 26.471 1.950 0.723 0.883 1.000 0.857 CA 1.523 15 residues pruned to eliminate duplicates Z: 21 71.811 2.466 1.629 0.909 0.950 0.750 CB 1.850 21 residues pruned to eliminate duplicates Z: 139 108.253 2.467 0.936 0.599 0.949 0.667 CB 1.850 139 residues pruned to eliminate duplicates Z: 9 7.199 2.114 0.891 0.321 0.625 0.500 CB 1.240 9 residues pruned to eliminate duplicates Z: 169 101.267 2.381 0.787 0.609 0.946 0.696 CB 1.750 169 residues pruned to eliminate duplicates Z: 8 15.984 2.141 0.353 0.786 1.000 0.571 C 1.622 8 residues pruned to eliminate duplicates Z: 15 21.377 1.926 0.592 0.797 1.000 0.643 CA 1.437 15 residues pruned to eliminate duplicates Z: 18 53.048 2.425 1.058 0.856 1.000 0.882 CB 1.901 18 residues pruned to eliminate duplicates Z: 88 80.333 2.413 0.798 0.641 0.954 0.690 CB 1.823 88 residues pruned to eliminate duplicates Z: 26 48.560 2.331 0.635 0.917 0.960 0.760 C 1.873 26 residues pruned to eliminate duplicates Z: 6 18.403 2.484 0.488 0.740 1.000 0.600 CA 1.796 6 residues pruned to eliminate duplicates Z: 14 26.309 2.014 0.651 0.877 1.000 0.769 CA 1.593 14 residues pruned to eliminate duplicates Z: 25 52.476 2.421 0.636 0.917 1.000 0.833 CB 1.908 25 residues pruned to eliminate duplicates Z: 17 42.831 2.351 0.907 0.936 1.000 0.812 CA 1.664 17 residues pruned to eliminate duplicates Z: 6 17.062 2.421 0.559 0.685 1.000 0.400 C 1.705 6 residues pruned to eliminate duplicates Z: 110 87.951 2.388 0.763 0.661 0.963 0.752 CB 1.790 110 residues pruned to eliminate duplicates Z: 17 45.577 2.353 0.976 0.944 1.000 0.938 CA 1.697 17 residues pruned to eliminate duplicates Z: 15 18.427 1.929 0.651 0.834 0.786 0.571 CA 1.476 15 residues pruned to eliminate duplicates Z: 122 97.245 2.428 0.907 0.640 0.909 0.669 CB 1.842 122 residues pruned to eliminate duplicates Z: 171 108.734 2.364 0.900 0.599 0.941 0.659 CB 1.795 171 residues pruned to eliminate duplicates Z: 42 54.288 2.394 0.925 0.617 0.878 0.634 CB 1.876 42 residues pruned to eliminate duplicates Z: 149 107.068 2.411 0.982 0.633 0.926 0.689 CB 1.755 145 residues pruned to eliminate duplicates Z: 9 4.624 1.993 0.689 0.264 0.625 0.375 CB 1.017 9 residues pruned to eliminate duplicates Z: 23 46.553 2.453 0.436 0.925 1.000 0.955 CB 1.977 23 residues pruned to eliminate duplicates Z: 6 4.108 1.370 0.825 0.593 0.800 0.800 CB 0.840 6 residues pruned to eliminate duplicates Z: 6 10.846 2.243 0.654 0.283 1.000 0.600 CA 1.671 6 residues pruned to eliminate duplicates Z: 83 83.169 2.431 0.905 0.665 0.927 0.695 CB 1.837 83 residues pruned to eliminate duplicates Z: 15 28.419 2.367 0.438 0.852 0.857 0.714 CA 1.925 15 residues pruned to eliminate duplicates Z: 13 10.504 1.979 0.678 0.345 0.750 0.583 CB 1.442 13 residues pruned to eliminate duplicates Z: 10 17.327 2.138 0.725 0.461 1.000 0.778 CB 1.630 10 residues pruned to eliminate duplicates Z: 150 109.926 2.397 0.951 0.607 0.953 0.664 CB 1.826 150 residues pruned to eliminate duplicates Z: 19 58.939 2.375 1.469 0.877 1.000 0.611 CB 1.720 19 residues pruned to eliminate duplicates Z: 32 29.002 2.160 0.683 0.462 0.968 0.645 CB 1.538 32 residues pruned to eliminate duplicates Z: 17 45.105 2.282 0.963 0.933 1.000 0.812 CA 1.756 17 residues pruned to eliminate duplicates Z: 19 40.595 2.253 0.855 0.863 0.944 0.778 CB 1.778 19 residues pruned to eliminate duplicates Z: 128 105.959 2.419 1.018 0.617 0.953 0.685 CB 1.810 128 residues pruned to eliminate duplicates Z: 17 16.907 2.306 0.806 0.241 0.875 0.625 CB 1.567 17 residues pruned to eliminate duplicates Z: 55 45.190 2.278 0.750 0.587 0.889 0.667 CB 1.597 33 residues pruned to eliminate duplicates Z: 27 37.487 2.279 0.464 0.881 0.923 0.808 CB 1.729 27 residues pruned to eliminate duplicates Z: 126 114.232 2.412 1.080 0.657 0.952 0.696 CB 1.848 126 residues pruned to eliminate duplicates Z: 18 22.343 1.982 0.627 0.716 1.000 0.588 CB 1.382 18 residues pruned to eliminate duplicates Z: 6 4.048 1.604 -0.130 0.750 1.000 0.800 C 1.038 Z: 6 3.065 1.441 0.397 0.294 0.800 0.400 CB 1.071 6 residues pruned to eliminate duplicates Z: 72 78.663 2.352 0.878 0.701 0.958 0.746 CB 1.838 71 residues pruned to eliminate duplicates Z: 84 84.267 2.397 0.984 0.665 0.928 0.651 CB 1.799 84 residues pruned to eliminate duplicates Z: 18 52.986 2.460 1.066 0.830 1.000 0.882 CB 1.902 18 residues pruned to eliminate duplicates Z: 145 98.922 2.410 0.844 0.590 0.944 0.708 CB 1.802 145 residues pruned to eliminate duplicates Z: 10 14.938 1.867 0.387 0.803 1.000 0.778 CB 1.475 10 residues pruned to eliminate duplicates Z: 6 4.459 1.408 0.955 0.540 0.800 0.600 N 0.870 6 residues pruned to eliminate duplicates Z: 18 46.598 2.256 0.983 0.940 1.000 0.824 CA 1.754 18 residues pruned to eliminate duplicates Z: 6 20.421 2.164 1.329 0.838 1.000 0.800 CA 1.355 6 residues pruned to eliminate duplicates Z: 25 50.015 2.395 0.723 0.914 0.917 0.792 CB 1.909 25 residues pruned to eliminate duplicates Z: 56 58.151 2.389 0.652 0.696 0.927 0.727 CB 1.790 56 residues pruned to eliminate duplicates Z: 15 22.617 1.923 0.552 0.859 1.000 0.500 CA 1.490 15 residues pruned to eliminate duplicates Z: 12 31.481 2.061 1.066 0.946 1.000 0.818 CA 1.542 12 residues pruned to eliminate duplicates Z: 12 14.806 1.965 0.280 0.730 0.909 0.909 CA 1.587 12 residues pruned to eliminate duplicates Z: 6 7.284 1.626 0.188 0.875 1.000 1.000 C 1.226 6 residues pruned to eliminate duplicates Z: 8 7.500 1.812 0.643 0.221 1.000 0.571 C 1.321 8 residues pruned to eliminate duplicates Z: 40 43.931 2.184 0.902 0.630 0.897 0.564 CB 1.670 18 residues pruned to eliminate duplicates Z: 14 25.644 2.428 0.770 0.447 1.000 0.615 CA 1.749 14 residues pruned to eliminate duplicates Z: 18 25.672 2.023 0.611 0.718 1.000 0.882 CA 1.568 18 residues pruned to eliminate duplicates Z: 10 12.636 1.870 0.396 0.785 0.889 0.667 C 1.413 10 residues pruned to eliminate duplicates Z: 7 7.464 1.767 0.441 0.745 1.000 0.667 CA 0.961 7 residues pruned to eliminate duplicates Z: 40 30.080 2.226 0.625 0.414 0.872 0.667 CB 1.671 40 residues pruned to eliminate duplicates Z: 76 69.071 2.401 0.873 0.530 0.947 0.667 CB 1.818 76 residues pruned to eliminate duplicates Z: 12 5.633 1.892 0.630 0.267 0.636 0.545 CB 1.129 12 residues pruned to eliminate duplicates Z: 85 70.227 2.342 0.928 0.523 0.940 0.690 CB 1.764 85 residues pruned to eliminate duplicates Z: 19 65.268 2.601 1.057 0.942 1.000 0.944 CB 1.993 19 residues pruned to eliminate duplicates Z: 10 12.907 2.452 0.888 0.239 0.778 0.444 CB 1.617 10 residues pruned to eliminate duplicates Z: 149 96.613 2.394 0.737 0.611 0.946 0.723 CB 1.816 149 residues pruned to eliminate duplicates Z: 22 73.987 2.425 1.540 0.916 0.952 0.619 C 1.943 22 residues pruned to eliminate duplicates Z: 106 83.131 2.388 0.944 0.545 0.943 0.695 CB 1.773 106 residues pruned to eliminate duplicates Z: 43 37.479 2.165 0.721 0.574 0.929 0.714 CB 1.557 43 residues pruned to eliminate duplicates Z: 34 27.301 2.068 0.470 0.520 0.970 0.667 CB 1.581 34 residues pruned to eliminate duplicates Z: 150 104.202 2.398 0.917 0.597 0.940 0.651 CB 1.802 150 residues pruned to eliminate duplicates Z: 10 5.565 1.659 0.633 0.309 0.889 0.444 CB 0.952 10 residues pruned to eliminate duplicates Z: 10 14.364 1.891 0.461 0.861 0.889 0.667 CA 1.433 10 residues pruned to eliminate duplicates Z: 25 24.682 2.050 0.556 0.541 1.000 0.708 CB 1.518 25 residues pruned to eliminate duplicates Z: 15 36.179 2.367 1.090 0.618 1.000 0.857 C 1.748 15 residues pruned to eliminate duplicates Z: 23 53.924 2.350 1.204 0.872 0.909 0.636 CB 1.780 23 residues pruned to eliminate duplicates Z: 66 73.943 2.415 1.004 0.568 0.985 0.615 CB 1.803 66 residues pruned to eliminate duplicates Z: 17 39.779 2.333 0.717 0.943 1.000 1.000 CA 1.721 17 residues pruned to eliminate duplicates Z: 150 111.173 2.413 0.943 0.616 0.960 0.698 CB 1.814 150 residues pruned to eliminate duplicates Z: 6 8.515 1.932 0.039 0.872 1.000 1.000 CB 1.382 6 residues pruned to eliminate duplicates Z: 53 55.635 2.252 0.837 0.617 0.942 0.615 CB 1.773 53 residues pruned to eliminate duplicates Z: 18 14.172 1.777 0.578 0.685 0.882 0.706 CB 1.173 18 residues pruned to eliminate duplicates Z: 49 65.101 2.412 0.787 0.721 0.958 0.625 CB 1.862 49 residues pruned to eliminate duplicates Z: 46 52.261 2.381 0.786 0.529 0.956 0.800 CB 1.863 46 residues pruned to eliminate duplicates Z: 41 49.669 2.254 0.790 0.699 0.950 0.675 CB 1.709 41 residues pruned to eliminate duplicates Z: 124 80.415 2.321 0.821 0.565 0.927 0.667 CB 1.738 124 residues pruned to eliminate duplicates Z: 25 37.081 2.230 0.383 0.877 1.000 0.792 CB 1.781 25 residues pruned to eliminate duplicates Z: 49 45.649 2.298 0.767 0.591 0.896 0.625 CB 1.660 49 residues pruned to eliminate duplicates Z: 40 61.504 2.506 1.009 0.630 0.974 0.641 CB 1.776 40 residues pruned to eliminate duplicates Z: 14 17.353 2.186 0.765 0.468 0.846 0.538 CB 1.524 14 residues pruned to eliminate duplicates Z: 86 71.015 2.397 0.888 0.518 0.953 0.671 CB 1.755 86 residues pruned to eliminate duplicates Z: 21 48.724 2.497 0.545 0.944 1.000 0.950 CB 1.955 21 residues pruned to eliminate duplicates Z: 9 14.157 2.102 0.133 0.813 1.000 0.625 CA 1.600 9 residues pruned to eliminate duplicates Z: 36 26.702 2.159 0.542 0.526 0.886 0.543 CB 1.492 36 residues pruned to eliminate duplicates Z: 113 91.511 2.370 0.956 0.638 0.929 0.643 CB 1.764 113 residues pruned to eliminate duplicates Z: 8 24.737 2.239 0.695 0.879 1.000 0.714 CB 1.786 8 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 5.418 1.721 0.917 0.196 0.833 0.333 CA 1.155 7 residues pruned to eliminate duplicates Z: 11 12.379 2.151 0.932 0.267 0.900 0.400 CB 1.364 11 residues pruned to eliminate duplicates Z: 11 9.360 2.146 1.100 0.235 0.700 0.400 CB 1.277 11 residues pruned to eliminate duplicates Z: 11 10.705 2.076 0.927 0.294 0.700 0.500 CB 1.523 11 residues pruned to eliminate duplicates Z: 9 3.274 2.051 0.429 0.085 0.500 0.500 CB 1.349 9 residues pruned to eliminate duplicates Z: 7 4.022 2.266 0.947 0.090 0.500 0.500 CB 1.261 7 residues pruned to eliminate duplicates Z: 49 49.230 2.264 0.816 0.613 0.938 0.646 CB 1.657 49 residues pruned to eliminate duplicates Z: 49 47.052 2.276 0.808 0.608 0.938 0.708 CB 1.589 49 residues pruned to eliminate duplicates Z: 23 49.616 2.365 1.120 0.703 0.955 0.818 C 1.838 23 residues pruned to eliminate duplicates Z: 24 51.121 2.393 1.032 0.706 0.957 0.609 CB 1.900 24 residues pruned to eliminate duplicates Z: 45 43.549 2.255 0.595 0.660 0.955 0.659 CB 1.650 45 residues pruned to eliminate duplicates Z: 28 43.081 2.377 1.084 0.591 0.889 0.667 CB 1.725 28 residues pruned to eliminate duplicates Z: 48 46.609 2.227 0.762 0.612 0.915 0.723 CB 1.702 48 residues pruned to eliminate duplicates Z: 48 47.968 2.264 0.771 0.635 0.936 0.681 CB 1.641 48 residues pruned to eliminate duplicates Z: 23 49.111 2.357 1.184 0.690 0.955 0.636 CB 1.791 23 residues pruned to eliminate duplicates Z: 54 46.753 2.233 0.767 0.622 0.943 0.736 CB 1.537 54 residues pruned to eliminate duplicates Z: 47 50.088 2.279 0.908 0.625 0.913 0.652 CB 1.654 47 residues pruned to eliminate duplicates Z: 26 46.162 2.304 1.099 0.655 0.960 0.720 CB 1.722 26 residues pruned to eliminate duplicates Z: 24 46.563 2.349 1.011 0.715 0.957 0.739 C 1.768 24 residues pruned to eliminate duplicates Z: 53 41.855 2.302 0.699 0.567 0.885 0.635 CB 1.573 53 residues pruned to eliminate duplicates Z: 24 48.815 2.357 1.100 0.723 1.000 0.696 C 1.681 24 residues pruned to eliminate duplicates Z: 49 47.860 2.271 0.772 0.611 0.938 0.771 CB 1.649 49 residues pruned to eliminate duplicates Z: 49 45.856 2.192 0.806 0.622 0.917 0.708 CB 1.625 49 residues pruned to eliminate duplicates Z: 22 50.039 2.321 0.983 0.743 1.000 0.667 CB 1.908 22 residues pruned to eliminate duplicates Z: 45 48.910 2.268 0.759 0.639 0.932 0.614 CB 1.741 45 residues pruned to eliminate duplicates Z: 45 43.355 2.228 0.635 0.656 0.909 0.659 CB 1.707 45 residues pruned to eliminate duplicates Z: 160 102.824 2.400 0.867 0.585 0.931 0.667 CB 1.801 160 residues pruned to eliminate duplicates Z: 150 101.209 2.415 0.810 0.615 0.940 0.698 CB 1.811 150 residues pruned to eliminate duplicates Z: 150 103.307 2.413 0.867 0.605 0.933 0.698 CB 1.822 150 residues pruned to eliminate duplicates Z: 150 97.369 2.408 0.792 0.599 0.933 0.691 CB 1.804 150 residues pruned to eliminate duplicates Z: 105 85.714 2.414 0.811 0.664 0.923 0.721 CB 1.788 105 residues pruned to eliminate duplicates Z: 125 91.158 2.417 0.802 0.642 0.935 0.645 CB 1.760 125 residues pruned to eliminate duplicates Z: 151 104.343 2.398 0.853 0.604 0.960 0.700 CB 1.808 151 residues pruned to eliminate duplicates Z: 74 81.592 2.421 0.838 0.705 0.973 0.712 CB 1.831 74 residues pruned to eliminate duplicates Z: 113 99.210 2.466 0.835 0.681 0.946 0.714 CB 1.853 113 residues pruned to eliminate duplicates Z: 74 67.312 2.362 0.582 0.688 0.986 0.753 CB 1.800 74 residues pruned to eliminate duplicates Z: 152 101.452 2.392 0.808 0.609 0.947 0.735 CB 1.819 152 residues pruned to eliminate duplicates Z: 72 81.481 2.440 0.759 0.718 0.986 0.732 CB 1.876 72 residues pruned to eliminate duplicates Z: 106 82.475 2.377 0.754 0.657 0.952 0.695 CB 1.752 106 residues pruned to eliminate duplicates Z: 149 102.463 2.421 0.836 0.598 0.953 0.669 CB 1.811 149 residues pruned to eliminate duplicates Z: 113 99.282 2.475 0.790 0.677 0.973 0.705 CB 1.849 113 residues pruned to eliminate duplicates Z: 80 72.118 2.418 0.695 0.679 0.924 0.696 CB 1.817 80 residues pruned to eliminate duplicates Z: 117 90.145 2.428 0.785 0.657 0.940 0.716 CB 1.777 117 residues pruned to eliminate duplicates Z: 160 94.739 2.387 0.770 0.583 0.937 0.692 CB 1.752 160 residues pruned to eliminate duplicates Z: 150 98.167 2.406 0.792 0.612 0.926 0.685 CB 1.811 150 residues pruned to eliminate duplicates Z: 150 101.156 2.413 0.797 0.598 0.960 0.691 CB 1.814 150 residues pruned to eliminate duplicates Z: 149 104.050 2.418 0.826 0.613 0.959 0.709 CB 1.814 149 residues pruned to eliminate duplicates Z: 152 96.450 2.404 0.739 0.597 0.940 0.656 CB 1.820 152 residues pruned to eliminate duplicates Z: 172 112.562 2.408 0.877 0.617 0.936 0.649 CB 1.822 172 residues pruned to eliminate duplicates Z: 160 99.541 2.404 0.800 0.586 0.950 0.635 CB 1.769 160 residues pruned to eliminate duplicates Z: 150 103.758 2.414 0.863 0.603 0.953 0.678 CB 1.798 150 residues pruned to eliminate duplicates Z: 119 93.332 2.460 0.782 0.646 0.941 0.695 CB 1.819 119 residues pruned to eliminate duplicates Z: 47 56.069 2.372 0.644 0.739 0.957 0.761 CB 1.789 47 residues pruned to eliminate duplicates Z: 150 103.615 2.410 0.848 0.613 0.946 0.752 CB 1.810 150 residues pruned to eliminate duplicates Z: 141 101.441 2.388 0.897 0.621 0.943 0.721 CB 1.791 141 residues pruned to eliminate duplicates Z: 128 90.749 2.401 0.889 0.621 0.898 0.717 CB 1.764 128 residues pruned to eliminate duplicates Z: 150 102.629 2.407 0.831 0.617 0.953 0.671 CB 1.792 150 residues pruned to eliminate duplicates Z: 117 102.892 2.449 0.940 0.663 0.940 0.733 CB 1.839 117 residues pruned to eliminate duplicates Z: 149 109.857 2.419 0.962 0.607 0.953 0.709 CB 1.804 149 residues pruned to eliminate duplicates Z: 74 74.950 2.375 0.787 0.696 0.945 0.699 CB 1.828 74 residues pruned to eliminate duplicates Z: 114 102.276 2.461 0.979 0.666 0.938 0.681 CB 1.806 114 residues pruned to eliminate duplicates Z: 68 80.468 2.389 0.901 0.704 0.985 0.597 CB 1.826 68 residues pruned to eliminate duplicates Z: 150 103.587 2.410 0.932 0.599 0.926 0.685 CB 1.790 150 residues pruned to eliminate duplicates Z: 73 83.221 2.427 0.902 0.703 0.958 0.653 CB 1.843 73 residues pruned to eliminate duplicates Z: 150 106.964 2.421 0.924 0.613 0.940 0.658 CB 1.798 150 residues pruned to eliminate duplicates Z: 137 103.738 2.370 0.901 0.631 0.963 0.640 CB 1.811 137 residues pruned to eliminate duplicates Z: 117 99.383 2.446 0.890 0.659 0.940 0.690 CB 1.833 117 residues pruned to eliminate duplicates Z: 157 107.485 2.386 0.963 0.595 0.942 0.673 CB 1.781 157 residues pruned to eliminate duplicates Z: 119 104.941 2.472 0.916 0.654 0.958 0.703 CB 1.846 119 residues pruned to eliminate duplicates Z: 129 106.390 2.456 0.991 0.618 0.922 0.656 CB 1.866 129 residues pruned to eliminate duplicates Z: 80 77.288 2.350 0.829 0.665 0.949 0.646 CB 1.828 80 residues pruned to eliminate duplicates Z: 78 76.328 2.410 0.823 0.675 0.935 0.623 CB 1.802 78 residues pruned to eliminate duplicates Z: 65 78.288 2.429 0.743 0.745 0.984 0.719 CB 1.887 65 residues pruned to eliminate duplicates Z: 110 93.736 2.386 0.928 0.633 0.936 0.651 CB 1.840 110 residues pruned to eliminate duplicates Z: 106 81.550 2.406 0.846 0.545 0.962 0.676 CB 1.782 106 residues pruned to eliminate duplicates Z: 75 79.901 2.364 0.856 0.688 0.973 0.716 CB 1.831 75 residues pruned to eliminate duplicates Z: 154 103.044 2.373 0.913 0.593 0.941 0.673 CB 1.784 154 residues pruned to eliminate duplicates Z: 152 109.078 2.400 0.910 0.599 0.967 0.669 CB 1.821 152 residues pruned to eliminate duplicates Z: 74 71.069 2.461 0.857 0.584 0.932 0.630 CB 1.802 74 residues pruned to eliminate duplicates Z: 73 85.061 2.421 0.876 0.705 0.958 0.736 CB 1.912 73 residues pruned to eliminate duplicates Z: 114 106.314 2.459 0.958 0.673 0.956 0.699 CB 1.853 114 residues pruned to eliminate duplicates Z: 161 101.375 2.384 0.888 0.575 0.931 0.637 CB 1.778 161 residues pruned to eliminate duplicates Z: 150 105.494 2.426 0.860 0.609 0.946 0.732 CB 1.825 150 residues pruned to eliminate duplicates Z: 181 107.689 2.378 0.936 0.577 0.911 0.644 CB 1.776 181 residues pruned to eliminate duplicates Z: 150 108.151 2.424 0.921 0.603 0.946 0.644 CB 1.823 150 residues pruned to eliminate duplicates Z: 79 78.307 2.376 0.890 0.681 0.910 0.731 CB 1.837 79 residues pruned to eliminate duplicates Z: 156 103.766 2.400 0.876 0.591 0.948 0.658 CB 1.789 156 residues pruned to eliminate duplicates Z: 115 104.450 2.465 0.931 0.661 0.965 0.667 CB 1.835 115 residues pruned to eliminate duplicates Z: 149 112.309 2.422 0.914 0.606 0.973 0.649 CB 1.850 149 residues pruned to eliminate duplicates Z: 80 80.008 2.383 0.886 0.670 0.937 0.709 CB 1.827 80 residues pruned to eliminate duplicates Z: 173 114.546 2.404 0.888 0.613 0.948 0.657 CB 1.825 173 residues pruned to eliminate duplicates Z: 149 109.308 2.422 0.924 0.609 0.959 0.703 CB 1.811 149 residues pruned to eliminate duplicates Z: 155 103.631 2.403 0.882 0.589 0.948 0.695 CB 1.788 155 residues pruned to eliminate duplicates Z: 115 98.252 2.448 0.942 0.657 0.921 0.684 CB 1.817 115 residues pruned to eliminate duplicates Z: 119 108.248 2.447 1.034 0.645 0.949 0.653 CB 1.843 119 residues pruned to eliminate duplicates Z: 150 101.453 2.399 0.844 0.603 0.953 0.678 CB 1.787 150 residues pruned to eliminate duplicates Z: 133 111.246 2.417 0.985 0.659 0.955 0.720 CB 1.825 133 residues pruned to eliminate duplicates Z: 172 115.266 2.406 0.959 0.610 0.918 0.696 CB 1.835 172 residues pruned to eliminate duplicates Z: 150 108.946 2.423 0.908 0.606 0.946 0.678 CB 1.845 150 residues pruned to eliminate duplicates Z: 94 73.722 2.389 0.811 0.599 0.914 0.645 CB 1.759 94 residues pruned to eliminate duplicates Z: 150 109.243 2.409 0.961 0.596 0.946 0.664 CB 1.827 150 residues pruned to eliminate duplicates Z: 112 110.886 2.463 1.021 0.671 0.955 0.694 CB 1.890 112 residues pruned to eliminate duplicates Z: 156 104.656 2.393 0.901 0.599 0.935 0.645 CB 1.798 156 residues pruned to eliminate duplicates Z: 150 109.799 2.417 0.954 0.604 0.946 0.651 CB 1.824 150 residues pruned to eliminate duplicates Z: 149 112.729 2.419 0.957 0.613 0.953 0.716 CB 1.847 149 residues pruned to eliminate duplicates Z: 42 66.806 2.534 1.110 0.597 0.951 0.683 CB 1.870 42 residues pruned to eliminate duplicates Z: 139 103.287 2.437 0.918 0.581 0.942 0.630 CB 1.846 139 residues pruned to eliminate duplicates Z: 117 103.994 2.438 0.962 0.651 0.957 0.629 CB 1.834 117 residues pruned to eliminate duplicates Z: 114 105.805 2.461 0.987 0.659 0.947 0.699 CB 1.854 114 residues pruned to eliminate duplicates Z: 150 104.906 2.412 0.916 0.591 0.933 0.644 CB 1.827 150 residues pruned to eliminate duplicates Z: 106 81.592 2.404 0.847 0.549 0.952 0.714 CB 1.796 106 residues pruned to eliminate duplicates Z: 151 109.623 2.399 0.929 0.604 0.967 0.647 CB 1.813 151 residues pruned to eliminate duplicates Z: 151 109.827 2.400 0.941 0.595 0.960 0.653 CB 1.832 151 residues pruned to eliminate duplicates Z: 154 90.826 2.370 0.769 0.571 0.941 0.673 CB 1.737 154 residues pruned to eliminate duplicates Z: 105 85.987 2.397 0.886 0.559 0.981 0.673 CB 1.795 105 residues pruned to eliminate duplicates Z: 22 60.509 2.398 1.195 0.913 1.000 0.857 CB 1.775 22 residues pruned to eliminate duplicates Z: 150 108.988 2.419 0.937 0.611 0.940 0.738 CB 1.825 150 residues pruned to eliminate duplicates Z: 153 109.638 2.425 0.985 0.583 0.947 0.697 CB 1.801 153 residues pruned to eliminate duplicates Z: 150 108.613 2.409 0.914 0.602 0.960 0.658 CB 1.824 150 residues pruned to eliminate duplicates Z: 62 54.666 2.366 0.978 0.429 0.918 0.590 CB 1.754 62 residues pruned to eliminate duplicates Z: 161 107.691 2.395 0.940 0.586 0.944 0.625 CB 1.788 161 residues pruned to eliminate duplicates Z: 136 103.955 2.461 0.914 0.597 0.933 0.681 CB 1.856 136 residues pruned to eliminate duplicates Z: 156 106.139 2.389 0.919 0.599 0.948 0.690 CB 1.784 156 residues pruned to eliminate duplicates Z: 77 73.171 2.403 0.986 0.514 0.961 0.697 CB 1.806 77 residues pruned to eliminate duplicates Z: 150 108.431 2.415 0.943 0.595 0.940 0.638 CB 1.840 150 residues pruned to eliminate duplicates Z: 142 105.953 2.378 0.912 0.624 0.957 0.681 CB 1.823 142 residues pruned to eliminate duplicates Z: 140 116.846 2.416 1.005 0.657 0.964 0.669 CB 1.835 140 residues pruned to eliminate duplicates Z: 172 123.421 2.419 0.975 0.618 0.959 0.708 CB 1.843 172 residues pruned to eliminate duplicates Z: 106 83.646 2.396 0.929 0.539 0.943 0.648 CB 1.802 106 residues pruned to eliminate duplicates Z: 154 106.809 2.413 0.890 0.595 0.948 0.647 CB 1.825 154 residues pruned to eliminate duplicates Z: 124 102.776 2.429 0.981 0.640 0.959 0.659 CB 1.761 124 residues pruned to eliminate duplicates Z: 105 89.229 2.412 0.967 0.552 0.971 0.712 CB 1.806 105 residues pruned to eliminate duplicates Z: 119 109.413 2.455 1.017 0.651 0.958 0.619 CB 1.846 119 residues pruned to eliminate duplicates Z: 70 71.305 2.406 0.969 0.520 0.986 0.623 CB 1.804 70 residues pruned to eliminate duplicates Z: 152 111.562 2.405 0.986 0.597 0.954 0.689 CB 1.816 152 residues pruned to eliminate duplicates Z: 139 106.738 2.434 1.005 0.599 0.942 0.616 CB 1.797 139 residues pruned to eliminate duplicates Z: 151 112.315 2.405 0.977 0.610 0.953 0.693 CB 1.823 151 residues pruned to eliminate duplicates Z: 70 70.891 2.412 1.017 0.542 0.942 0.739 CB 1.787 70 residues pruned to eliminate duplicates Z: 149 113.966 2.422 0.981 0.608 0.953 0.642 CB 1.850 149 residues pruned to eliminate duplicates Z: 149 117.512 2.426 1.046 0.613 0.953 0.676 CB 1.835 149 residues pruned to eliminate duplicates Z: 87 77.274 2.396 1.017 0.504 0.953 0.581 CB 1.801 87 residues pruned to eliminate duplicates Z: 36 36.905 2.257 0.769 0.445 0.943 0.686 CB 1.753 36 residues pruned to eliminate duplicates Z: 37 36.293 2.272 0.816 0.410 0.972 0.611 CB 1.658 37 residues pruned to eliminate duplicates Z: 160 105.822 2.400 0.908 0.586 0.937 0.667 CB 1.800 160 residues pruned to eliminate duplicates Z: 173 119.205 2.399 0.953 0.611 0.959 0.698 CB 1.821 173 residues pruned to eliminate duplicates Z: 39 37.696 2.228 0.758 0.429 1.000 0.658 CB 1.682 39 residues pruned to eliminate duplicates Z: 172 120.312 2.416 0.992 0.607 0.936 0.637 CB 1.846 172 residues pruned to eliminate duplicates Z: 34 37.027 2.247 0.796 0.433 1.000 0.697 CB 1.711 34 residues pruned to eliminate duplicates Z: 150 108.579 2.399 0.937 0.607 0.953 0.698 CB 1.815 150 residues pruned to eliminate duplicates Z: 163 107.522 2.384 0.973 0.582 0.938 0.648 CB 1.769 163 residues pruned to eliminate duplicates Z: 138 109.005 2.433 1.024 0.589 0.942 0.620 CB 1.844 138 residues pruned to eliminate duplicates Z: 33 32.187 2.200 0.732 0.448 0.969 0.594 CB 1.626 33 residues pruned to eliminate duplicates Z: 19 21.206 2.287 0.783 0.244 0.944 0.444 C 1.745 19 residues pruned to eliminate duplicates Z: 138 107.359 2.444 0.996 0.588 0.949 0.664 CB 1.820 138 residues pruned to eliminate duplicates Z: 39 38.782 2.258 0.816 0.419 0.974 0.632 CB 1.714 39 residues pruned to eliminate duplicates Z: 151 112.179 2.403 0.954 0.611 0.967 0.707 CB 1.816 151 residues pruned to eliminate duplicates Z: 104 91.834 2.433 0.976 0.561 0.961 0.699 CB 1.845 104 residues pruned to eliminate duplicates Z: 150 108.912 2.396 0.961 0.611 0.946 0.644 CB 1.806 150 residues pruned to eliminate duplicates Z: 149 108.830 2.419 0.901 0.610 0.959 0.662 CB 1.828 149 residues pruned to eliminate duplicates Z: 7 13.327 2.260 0.999 0.193 1.000 0.667 CB 1.738 7 residues pruned to eliminate duplicates Z: 32 32.281 2.187 0.835 0.453 0.968 0.710 CB 1.566 32 residues pruned to eliminate duplicates Z: 105 83.807 2.392 0.892 0.544 0.952 0.673 CB 1.828 105 residues pruned to eliminate duplicates Z: 22 24.734 2.088 0.491 0.533 1.000 0.762 CB 1.678 22 residues pruned to eliminate duplicates Z: 32 26.105 2.169 0.609 0.444 0.968 0.613 CB 1.472 32 residues pruned to eliminate duplicates Z: 69 64.384 2.388 0.824 0.540 0.971 0.632 CB 1.775 69 residues pruned to eliminate duplicates Z: 154 104.349 2.385 0.884 0.598 0.948 0.641 CB 1.804 154 residues pruned to eliminate duplicates Z: 24 24.931 2.084 0.557 0.511 1.000 0.783 CB 1.585 24 residues pruned to eliminate duplicates Z: 15 19.604 1.971 0.336 0.854 1.000 0.857 CA 1.469 15 residues pruned to eliminate duplicates Z: 17 25.545 2.089 0.672 0.687 1.000 0.562 CA 1.540 17 residues pruned to eliminate duplicates Z: 17 26.838 2.044 0.950 0.740 0.938 0.688 CB 1.448 17 residues pruned to eliminate duplicates Z: 16 25.276 2.044 0.723 0.737 1.000 0.667 CB 1.498 16 residues pruned to eliminate duplicates Z: 20 30.827 2.120 0.818 0.587 1.000 0.684 CB 1.687 20 residues pruned to eliminate duplicates Z: 16 27.345 1.934 0.965 0.742 1.000 0.733 C 1.496 16 residues pruned to eliminate duplicates Z: 16 24.068 1.906 0.861 0.744 0.933 0.800 C 1.509 16 residues pruned to eliminate duplicates Z: 17 27.401 2.042 0.919 0.745 0.938 0.750 CB 1.497 17 residues pruned to eliminate duplicates 181 residues left after pruning, divided into chains as follows: A: 181 CC for partial structure against native data = 41.84 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 4 used as input for final density modification = 0.300, Contrast = 0.489, Connect. = 0.768 for dens.mod. cycle 1 = 0.301, Contrast = 0.558, Connect. = 0.792 for dens.mod. cycle 2 = 0.301, Contrast = 0.697, Connect. = 0.825 for dens.mod. cycle 3 = 0.301, Contrast = 0.708, Connect. = 0.828 for dens.mod. cycle 4 = 0.301, Contrast = 0.729, Connect. = 0.831 for dens.mod. cycle 5 = 0.301, Contrast = 0.737, Connect. = 0.833 for dens.mod. cycle 6 = 0.301, Contrast = 0.748, Connect. = 0.834 for dens.mod. cycle 7 = 0.301, Contrast = 0.755, Connect. = 0.835 for dens.mod. cycle 8 = 0.301, Contrast = 0.762, Connect. = 0.836 for dens.mod. cycle 9 TimeTaking 162.5