++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 22:23:03 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: ./1vjx-2.3-parrot-noncs/1vjx-2.3-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./1vjx-2.3-parrot-noncs/1vjx-2.3-parrot-noncs.ins Phases from ./1vjx-2.3-parrot-noncs/1vjx-2.3-parrot-noncs.phi Native data from ./1vjx-2.3-parrot-noncs/1vjx-2.3-parrot-noncs.hkl Listing output to ./1vjx-2.3-parrot-noncs/1vjx-2.3-parrot-noncs.lst Phases output to ./1vjx-2.3-parrot-noncs/1vjx-2.3-parrot-noncs.phs Poly-Ala trace output to ./1vjx-2.3-parrot-noncs/1vjx-2.3-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: I 41 2 2 Allowed origin shift code:110 9305 Reflections read from file ./1vjx-2.3-parrot-noncs/1vjx-2.3-parrot-noncs.phi 9305 Reflections read from file ./1vjx-2.3-parrot-noncs/1vjx-2.3-parrot-noncs.hkl 9305 Unique data, highest resolution = 2.300 Angstroms Anisotropic scaling: intensities multiplied by 0.000067h^2 +0.000067k^2 -0.000038l^2 +0.000000kl +0.000000hl +0.000000hk 253 Reflections with d > 2.500 and 0 in range 2.500 > d > 2.300 added Density sharpening factor set to 0.30 Fourier grid = 128 x 128 x 20 0.000 <= z <= 0.125 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.736 = 0.292, Contrast = 0.114, Connect. = 0.495 for dens.mod. cycle 1 = 0.293, Contrast = 0.222, Connect. = 0.515 for dens.mod. cycle 2 = 0.297, Contrast = 0.400, Connect. = 0.627 for dens.mod. cycle 3 = 0.300, Contrast = 0.499, Connect. = 0.671 for dens.mod. cycle 4 = 0.300, Contrast = 0.551, Connect. = 0.691 for dens.mod. cycle 5 = 0.300, Contrast = 0.591, Connect. = 0.705 for dens.mod. cycle 6 = 0.300, Contrast = 0.617, Connect. = 0.714 for dens.mod. cycle 7 = 0.300, Contrast = 0.636, Connect. = 0.719 for dens.mod. cycle 8 = 0.300, Contrast = 0.651, Connect. = 0.725 for dens.mod. cycle 9 = 0.300, Contrast = 0.661, Connect. = 0.728 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 725 peaks > 0.5 sigma used to seed fragment search Space for about 225 unique residues taking solvent into account 159 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 28.241 1.760 0.746 0.869 1.000 0.905 CB 1.465 B: 22 24.301 1.785 0.907 0.881 0.857 0.476 CB 1.317 22 residues pruned to eliminate duplicates C: 15 20.688 1.781 0.901 0.845 1.000 0.643 CB 1.215 15 residues pruned to eliminate duplicates D: 17 21.631 1.742 0.939 0.869 0.938 0.812 CB 1.248 16 residues pruned to eliminate duplicates E: 20 23.651 1.797 0.868 0.874 0.947 0.579 CB 1.242 17 residues pruned to eliminate duplicates F: 14 20.086 1.772 0.842 0.859 1.000 0.769 CB 1.256 14 residues pruned to eliminate duplicates G: 17 13.287 1.610 0.530 0.853 1.000 0.625 CB 0.997 H: 18 16.059 1.684 0.778 0.788 0.882 0.471 CB 1.145 15 residues pruned to eliminate duplicates I: 8 2.936 1.382 0.124 0.636 0.857 0.571 C 0.733 J: 17 23.268 1.764 0.614 0.914 1.000 0.938 CB 1.445 17 residues pruned to eliminate duplicates K: 13 18.320 1.725 0.734 0.882 0.917 0.750 CB 1.396 13 residues pruned to eliminate duplicates L: 8 5.346 1.562 0.467 0.587 0.714 0.286 CB 1.136 M: 16 23.062 1.793 1.151 0.924 1.000 0.867 CB 1.084 11 residues pruned to eliminate duplicates N: 19 20.361 1.746 1.035 0.871 0.889 0.667 CB 1.108 19 residues pruned to eliminate duplicates O: 21 17.827 1.569 0.725 0.856 0.950 0.800 CB 1.144 P: 20 25.993 1.748 0.921 0.906 1.000 0.842 CB 1.264 24 residues pruned to eliminate duplicates Q: 11 10.735 1.602 0.497 0.888 1.000 1.000 CB 1.019 R: 8 2.403 1.308 0.180 0.214 0.857 0.429 N 0.962 S: 14 25.571 1.693 1.147 0.875 1.000 0.615 CB 1.419 14 residues pruned to eliminate duplicates T: 12 11.440 1.616 0.554 0.916 1.000 0.818 CB 0.970 11 residues pruned to eliminate duplicates U: 12 11.049 1.488 0.732 0.827 1.000 1.000 CA 0.975 7 residues pruned to eliminate duplicates V: 15 11.018 1.546 0.373 0.836 0.929 0.857 CB 1.118 11 residues pruned to eliminate duplicates W: 11 18.813 1.780 0.940 0.805 0.900 0.600 CB 1.467 11 residues pruned to eliminate duplicates X: 7 2.615 1.264 0.803 0.242 0.833 0.500 CB 0.758 Y: 27 19.173 1.727 0.916 0.694 0.885 0.577 CB 1.076 27 residues pruned to eliminate duplicates Z: 7 4.579 1.292 0.423 0.618 0.833 0.500 N 1.091 Z: 9 2.423 1.308 0.855 0.517 0.625 0.250 CB 0.555 Z: 12 15.632 1.629 0.982 0.865 1.000 0.818 CB 1.069 12 residues pruned to eliminate duplicates Z: 18 25.818 1.783 0.880 0.887 0.941 0.824 CB 1.432 18 residues pruned to eliminate duplicates Z: 10 7.541 1.495 0.527 0.660 0.778 0.444 CB 1.221 9 residues pruned to eliminate duplicates Z: 12 22.532 1.730 1.138 0.845 1.000 0.455 N 1.366 12 residues pruned to eliminate duplicates Z: 23 20.915 1.651 0.761 0.883 0.955 0.727 CB 1.162 23 residues pruned to eliminate duplicates Z: 26 13.086 1.601 0.724 0.513 0.840 0.520 CB 1.114 26 residues pruned to eliminate duplicates Z: 9 7.131 1.483 0.402 0.670 0.875 0.500 O 1.184 9 residues pruned to eliminate duplicates Z: 20 26.018 1.718 1.155 0.914 0.895 0.579 CB 1.274 20 residues pruned to eliminate duplicates Z: 20 23.157 1.616 1.026 0.847 0.895 0.632 CB 1.346 20 residues pruned to eliminate duplicates 6 1.283 1.120 0.734 0.315 1.000 0.600 N 0.363 ? Z: 14 19.380 1.777 0.572 0.842 0.923 0.846 CB 1.553 15 residues pruned to eliminate duplicates Z: 17 18.265 1.630 0.622 0.852 0.938 0.625 O 1.362 14 residues pruned to eliminate duplicates Z: 6 3.006 1.293 0.623 0.716 0.800 0.600 CB 0.659 6 residues pruned to eliminate duplicates Z: 8 8.532 1.565 0.494 0.682 0.857 0.714 CA 1.360 8 residues pruned to eliminate duplicates Z: 10 4.686 1.480 0.138 0.321 1.000 0.333 CB 1.129 Z: 9 4.197 1.456 0.446 0.313 0.750 0.500 CB 1.157 9 residues pruned to eliminate duplicates Z: 9 2.090 1.502 -0.013 0.187 0.625 0.375 CB 1.161 6 1.798 1.346 0.260 0.357 0.600 0.200 N 0.923 ? Z: 13 6.283 1.583 0.467 0.398 0.750 0.333 CB 1.160 Z: 6 4.812 1.472 0.649 0.459 0.800 0.800 CB 1.156 Z: 12 4.197 1.474 0.159 0.305 0.818 0.455 N 1.124 9 residues pruned to eliminate duplicates Z: 12 8.277 1.617 0.273 0.849 0.909 0.727 CB 0.988 12 residues pruned to eliminate duplicates Z: 8 4.672 1.447 0.367 0.526 0.714 0.429 N 1.219 Z: 6 7.011 1.415 0.590 0.872 1.000 0.800 CB 1.015 Z: 6 2.051 1.477 0.386 0.109 0.600 0.600 CB 1.227 Z: 8 5.868 1.629 0.673 0.490 0.714 0.714 N 1.151 8 residues pruned to eliminate duplicates 6 1.960 1.302 -0.228 0.538 1.000 0.800 CA 0.840 ? Z: 7 3.334 1.604 0.546 0.249 0.667 0.500 N 1.099 6 residues pruned to eliminate duplicates Z: 36 20.647 1.638 0.803 0.669 0.914 0.571 CB 1.106 38 residues pruned to eliminate duplicates Z: 16 12.044 1.706 0.579 0.640 0.800 0.400 CB 1.266 16 residues pruned to eliminate duplicates Z: 22 21.549 1.566 0.876 0.878 0.952 0.762 CB 1.220 22 residues pruned to eliminate duplicates Z: 12 3.119 1.454 0.442 0.522 0.636 0.364 CB 0.690 Z: 6 2.350 1.407 -0.071 0.654 0.800 0.800 CB 0.871 6 1.967 1.358 0.559 0.544 0.800 0.600 CB 0.497 ? 106 residues left after pruning, divided into chains as follows: A: 12 B: 27 C: 28 D: 13 E: 26 CC for partial structure against native data = 31.74 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.471, Connect. = 0.661 for dens.mod. cycle 1 = 0.300, Contrast = 0.559, Connect. = 0.692 for dens.mod. cycle 2 = 0.300, Contrast = 0.661, Connect. = 0.728 for dens.mod. cycle 3 = 0.300, Contrast = 0.675, Connect. = 0.732 for dens.mod. cycle 4 = 0.300, Contrast = 0.687, Connect. = 0.736 for dens.mod. cycle 5 = 0.300, Contrast = 0.690, Connect. = 0.739 for dens.mod. cycle 6 = 0.300, Contrast = 0.695, Connect. = 0.741 for dens.mod. cycle 7 = 0.300, Contrast = 0.694, Connect. = 0.743 for dens.mod. cycle 8 = 0.300, Contrast = 0.697, Connect. = 0.745 for dens.mod. cycle 9 = 0.300, Contrast = 0.695, Connect. = 0.747 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 677 peaks > 0.5 sigma used to seed fragment search Space for about 225 unique residues taking solvent into account 154 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 28 29.839 2.019 0.719 0.847 0.926 0.444 CB 1.326 B: 21 26.052 1.824 0.811 0.843 0.900 0.700 N 1.459 C: 27 34.400 2.042 0.817 0.899 0.923 0.615 CB 1.409 28 residues pruned to eliminate duplicates D: 28 36.697 2.013 0.902 0.903 0.963 0.704 CB 1.365 27 residues pruned to eliminate duplicates E: 29 39.541 1.941 0.753 0.913 0.964 0.893 CB 1.612 20 residues pruned to eliminate duplicates F: 16 24.910 1.870 0.620 0.893 1.000 0.800 CB 1.525 16 residues pruned to eliminate duplicates G: 23 37.520 2.065 0.942 0.866 0.955 0.636 CB 1.530 23 residues pruned to eliminate duplicates H: 17 35.217 1.861 1.255 0.928 1.000 0.812 CB 1.469 18 residues pruned to eliminate duplicates I: 27 36.564 1.897 0.764 0.916 0.962 0.769 CA 1.574 27 residues pruned to eliminate duplicates J: 29 38.954 1.902 0.794 0.921 1.000 0.714 CB 1.518 29 residues pruned to eliminate duplicates K: 17 25.309 1.941 0.728 0.844 0.938 0.812 CB 1.497 17 residues pruned to eliminate duplicates L: 24 22.477 1.731 0.588 0.888 1.000 0.696 CB 1.228 M: 28 35.882 1.902 1.089 0.903 0.889 0.667 CB 1.394 28 residues pruned to eliminate duplicates N: 28 34.064 2.014 0.627 0.914 1.000 0.852 CB 1.414 28 residues pruned to eliminate duplicates O: 16 19.722 1.807 0.607 0.920 0.933 0.667 CB 1.323 P: 27 17.910 1.635 0.335 0.883 1.000 0.692 CB 1.164 21 residues pruned to eliminate duplicates Q: 29 43.118 1.955 0.916 0.911 0.964 0.857 CB 1.598 29 residues pruned to eliminate duplicates R: 21 26.527 1.977 0.589 0.874 0.900 0.900 CA 1.527 21 residues pruned to eliminate duplicates S: 24 29.540 1.838 0.613 0.941 1.000 0.957 CA 1.442 24 residues pruned to eliminate duplicates T: 27 20.410 1.691 0.527 0.881 1.000 0.654 CB 1.123 28 residues pruned to eliminate duplicates U: 17 27.161 1.883 0.877 0.913 0.938 0.750 CB 1.450 17 residues pruned to eliminate duplicates V: 29 36.274 1.867 0.743 0.907 0.964 0.821 CB 1.553 29 residues pruned to eliminate duplicates W: 26 29.410 1.736 1.006 0.943 0.920 0.520 CB 1.272 16 residues pruned to eliminate duplicates X: 20 24.627 1.824 0.536 0.903 1.000 0.684 CB 1.437 20 residues pruned to eliminate duplicates Y: 16 23.410 1.826 0.564 0.879 1.000 0.800 CB 1.534 16 residues pruned to eliminate duplicates Z: 29 37.469 1.910 0.774 0.909 0.964 0.786 CA 1.538 29 residues pruned to eliminate duplicates Z: 27 37.616 2.079 0.961 0.908 0.962 0.654 CB 1.336 28 residues pruned to eliminate duplicates Z: 28 37.116 2.029 0.879 0.888 0.963 0.815 CB 1.402 28 residues pruned to eliminate duplicates Z: 17 28.426 1.888 0.932 0.918 0.938 0.750 CB 1.465 17 residues pruned to eliminate duplicates Z: 30 43.151 1.916 1.026 0.908 0.966 0.724 CA 1.518 30 residues pruned to eliminate duplicates Z: 22 33.886 2.015 0.727 0.927 0.905 0.762 CB 1.646 22 residues pruned to eliminate duplicates Z: 22 20.035 1.764 0.690 0.823 0.810 0.667 CB 1.370 22 residues pruned to eliminate duplicates Z: 8 4.816 1.449 0.387 0.587 0.714 0.429 CB 1.167 Z: 13 15.250 1.757 0.375 0.897 1.000 1.000 CA 1.304 13 residues pruned to eliminate duplicates Z: 20 18.842 1.717 0.714 0.888 0.895 0.316 CB 1.182 20 residues pruned to eliminate duplicates Z: 23 31.166 2.023 0.554 0.936 1.000 0.773 CA 1.472 23 residues pruned to eliminate duplicates Z: 16 18.742 1.815 0.550 0.861 0.933 0.867 CB 1.355 16 residues pruned to eliminate duplicates Z: 28 34.872 1.937 0.838 0.897 0.963 0.741 CB 1.401 28 residues pruned to eliminate duplicates Z: 28 34.213 1.988 0.689 0.893 0.963 0.778 CA 1.462 28 residues pruned to eliminate duplicates Z: 17 22.814 1.811 0.537 0.916 1.000 0.875 CB 1.448 17 residues pruned to eliminate duplicates Z: 13 17.738 1.943 0.306 0.933 1.000 0.917 CB 1.408 13 residues pruned to eliminate duplicates Z: 14 8.562 1.744 0.400 0.477 0.846 0.462 CB 1.176 Z: 16 18.780 1.755 0.474 0.871 0.933 0.867 CB 1.464 16 residues pruned to eliminate duplicates Z: 16 23.390 1.818 0.513 0.895 1.000 0.733 C 1.573 16 residues pruned to eliminate duplicates Z: 26 16.085 1.697 0.525 0.917 0.920 0.720 CB 0.953 26 residues pruned to eliminate duplicates Z: 23 32.226 2.043 0.680 0.918 0.955 0.818 CA 1.479 23 residues pruned to eliminate duplicates Z: 15 14.498 1.675 0.417 0.837 0.857 0.643 CB 1.423 15 residues pruned to eliminate duplicates Z: 15 18.908 1.859 0.434 0.920 1.000 0.786 CB 1.335 15 residues pruned to eliminate duplicates Z: 26 37.236 2.046 0.713 0.920 1.000 0.720 CB 1.497 26 residues pruned to eliminate duplicates Z: 18 32.447 1.806 1.168 0.880 1.000 0.765 CB 1.456 17 residues pruned to eliminate duplicates Z: 11 8.439 1.682 0.413 0.504 0.900 0.600 CB 1.243 Z: 12 17.562 1.956 0.239 0.932 1.000 1.000 CB 1.526 12 residues pruned to eliminate duplicates Z: 28 35.225 2.000 0.653 0.900 1.000 0.889 CB 1.464 27 residues pruned to eliminate duplicates Z: 30 36.252 1.953 0.946 0.845 0.966 0.517 CB 1.365 30 residues pruned to eliminate duplicates Z: 14 17.039 1.949 0.393 0.885 1.000 0.615 CB 1.256 14 residues pruned to eliminate duplicates Z: 26 29.682 2.011 0.547 0.894 1.000 0.800 CB 1.369 26 residues pruned to eliminate duplicates Z: 18 23.429 1.922 0.579 0.872 0.941 0.706 CB 1.449 18 residues pruned to eliminate duplicates Z: 20 23.392 1.785 0.983 0.899 0.947 0.421 CB 1.144 20 residues pruned to eliminate duplicates Z: 16 33.634 1.948 1.168 0.907 1.000 0.667 CB 1.461 16 residues pruned to eliminate duplicates Z: 11 6.073 1.786 0.481 0.435 0.700 0.500 CB 1.110 11 residues pruned to eliminate duplicates Z: 18 24.273 1.883 0.708 0.869 0.941 0.529 CA 1.421 18 residues pruned to eliminate duplicates Z: 27 38.612 2.029 0.965 0.906 0.962 0.692 CB 1.406 27 residues pruned to eliminate duplicates Z: 10 17.207 1.867 0.634 0.849 1.000 0.444 CB 1.394 10 residues pruned to eliminate duplicates Z: 21 23.918 1.800 0.770 0.873 0.900 0.700 CB 1.358 21 residues pruned to eliminate duplicates Z: 14 8.262 1.731 0.333 0.610 0.846 0.769 CB 1.058 14 residues pruned to eliminate duplicates Z: 26 31.419 1.796 0.747 0.928 1.000 0.640 CB 1.403 26 residues pruned to eliminate duplicates Z: 14 20.416 1.964 0.571 0.936 1.000 0.846 CB 1.279 14 residues pruned to eliminate duplicates Z: 13 6.070 1.691 0.293 0.402 0.750 0.417 CB 1.184 13 residues pruned to eliminate duplicates Z: 12 16.875 1.873 0.586 0.796 0.909 0.636 CA 1.454 12 residues pruned to eliminate duplicates Z: 20 32.680 1.818 1.296 0.919 1.000 0.737 CB 1.266 20 residues pruned to eliminate duplicates Z: 19 28.592 1.878 0.963 0.912 0.944 0.667 CB 1.371 19 residues pruned to eliminate duplicates Z: 27 32.627 2.025 0.903 0.900 0.885 0.462 CB 1.341 27 residues pruned to eliminate duplicates Z: 16 16.594 1.850 0.473 0.907 1.000 0.800 CB 1.118 16 residues pruned to eliminate duplicates Z: 12 5.828 1.558 0.536 0.436 0.909 0.182 CB 0.863 12 residues pruned to eliminate duplicates Z: 12 10.297 1.840 0.340 0.644 0.818 0.727 CA 1.346 13 residues pruned to eliminate duplicates Z: 22 26.890 2.006 0.645 0.921 0.857 0.762 CA 1.460 22 residues pruned to eliminate duplicates Z: 25 17.889 1.683 0.456 0.918 0.958 0.792 CB 1.097 25 residues pruned to eliminate duplicates Z: 10 15.810 1.893 0.372 0.873 1.000 0.778 CA 1.478 10 residues pruned to eliminate duplicates Z: 20 26.795 1.755 0.869 0.913 0.947 0.842 CB 1.400 20 residues pruned to eliminate duplicates Z: 28 21.070 1.634 0.639 0.882 0.963 0.741 CB 1.138 27 residues pruned to eliminate duplicates Z: 26 30.788 1.784 0.767 0.917 1.000 0.800 CA 1.378 26 residues pruned to eliminate duplicates Z: 30 40.848 1.908 0.812 0.888 1.000 0.655 CB 1.580 30 residues pruned to eliminate duplicates Z: 7 5.383 1.702 0.226 0.535 0.833 0.667 CB 1.221 7 residues pruned to eliminate duplicates Z: 29 20.852 1.642 0.586 0.898 0.964 0.643 CB 1.122 28 residues pruned to eliminate duplicates Z: 16 19.316 1.751 0.473 0.885 0.933 0.800 CB 1.496 16 residues pruned to eliminate duplicates Z: 10 15.224 1.741 0.880 0.874 0.889 0.444 CB 1.269 10 residues pruned to eliminate duplicates 6 0.646 1.700 0.483 0.836 1.000 0.800 CB 0.086 ? Z: 24 20.418 1.779 1.033 0.815 0.783 0.478 CB 1.144 24 residues pruned to eliminate duplicates Z: 12 15.653 1.899 0.530 0.898 0.909 0.909 CB 1.279 12 residues pruned to eliminate duplicates Z: 16 14.578 1.832 0.832 0.901 0.933 0.667 CB 0.858 16 residues pruned to eliminate duplicates Z: 12 6.594 1.290 0.473 0.744 0.909 0.545 CB 0.926 12 residues pruned to eliminate duplicates 6 0.604 1.403 0.143 0.181 0.800 0.600 CB 0.309 ? Z: 27 29.539 1.746 0.904 0.913 0.923 0.538 CB 1.336 27 residues pruned to eliminate duplicates Z: 16 6.355 1.601 0.407 0.339 0.867 0.400 CB 1.001 16 residues pruned to eliminate duplicates Z: 13 8.997 1.719 0.420 0.569 0.833 0.750 CB 1.194 13 residues pruned to eliminate duplicates Z: 6 5.144 1.727 0.665 0.645 1.000 0.800 CB 0.699 Z: 8 2.483 1.451 0.209 0.306 0.714 0.571 CA 0.929 Z: 12 26.247 1.951 1.077 0.897 1.000 0.636 CB 1.399 12 residues pruned to eliminate duplicates Z: 28 40.867 2.001 1.065 0.917 1.000 0.296 CB 1.344 28 residues pruned to eliminate duplicates Z: 24 19.811 1.876 0.403 0.877 0.870 0.826 CB 1.311 24 residues pruned to eliminate duplicates Z: 27 22.026 1.712 0.721 0.910 0.923 0.654 CB 1.126 29 residues pruned to eliminate duplicates Z: 8 4.988 1.673 0.807 0.754 0.857 0.286 CB 0.580 Z: 19 6.644 1.491 0.409 0.448 0.833 0.500 CB 0.944 19 residues pruned to eliminate duplicates Z: 26 14.156 1.549 0.769 0.838 0.920 0.480 CB 0.839 26 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 9 6.591 1.832 0.380 0.734 0.750 0.250 CB 0.996 9 residues pruned to eliminate duplicates Z: 14 8.889 1.600 0.615 0.487 0.923 0.308 CB 1.048 14 residues pruned to eliminate duplicates Z: 26 9.614 1.598 0.595 0.442 0.800 0.320 CB 1.001 26 residues pruned to eliminate duplicates Z: 18 17.850 1.818 0.559 0.808 0.941 0.824 CB 1.240 18 residues pruned to eliminate duplicates Z: 19 19.699 1.853 0.710 0.719 0.944 0.722 CB 1.273 19 residues pruned to eliminate duplicates Z: 26 21.609 1.727 0.562 0.837 1.000 0.840 CB 1.199 26 residues pruned to eliminate duplicates Z: 25 22.271 1.766 0.621 0.857 0.958 0.750 CB 1.221 25 residues pruned to eliminate duplicates Z: 17 21.853 1.902 0.673 0.831 0.938 0.812 CB 1.375 17 residues pruned to eliminate duplicates Z: 20 21.198 1.830 0.661 0.735 0.947 0.632 CB 1.368 20 residues pruned to eliminate duplicates Z: 36 17.936 1.653 0.589 0.701 0.886 0.514 CB 1.084 36 residues pruned to eliminate duplicates Z: 20 20.339 1.769 0.607 0.772 0.895 0.579 CB 1.441 20 residues pruned to eliminate duplicates Z: 11 6.626 1.706 0.195 0.531 0.900 0.700 CB 1.108 11 residues pruned to eliminate duplicates Z: 16 17.522 1.803 0.375 0.792 0.933 0.867 CB 1.513 16 residues pruned to eliminate duplicates Z: 16 12.885 1.819 0.357 0.671 0.867 0.800 CB 1.328 16 residues pruned to eliminate duplicates Z: 17 15.988 1.773 0.369 0.796 0.875 0.875 CB 1.452 17 residues pruned to eliminate duplicates Z: 21 17.287 1.822 0.481 0.667 0.800 0.700 CB 1.535 21 residues pruned to eliminate duplicates Z: 16 20.355 1.799 0.797 0.843 0.867 0.667 CB 1.397 16 residues pruned to eliminate duplicates Z: 18 20.581 1.719 0.808 0.720 0.941 0.471 CB 1.399 17 residues pruned to eliminate duplicates Z: 18 19.672 1.787 0.564 0.872 0.941 0.529 CB 1.322 19 residues pruned to eliminate duplicates Z: 15 22.704 1.860 0.566 0.911 1.000 0.643 CB 1.476 15 residues pruned to eliminate duplicates Z: 20 28.608 1.848 0.752 0.914 0.947 0.842 CB 1.513 20 residues pruned to eliminate duplicates Z: 23 24.207 1.831 0.574 0.837 0.955 0.818 CA 1.403 23 residues pruned to eliminate duplicates Z: 27 24.783 1.755 0.612 0.895 0.923 0.731 CB 1.334 27 residues pruned to eliminate duplicates Z: 18 24.375 1.866 0.616 0.896 0.941 0.647 CB 1.492 18 residues pruned to eliminate duplicates Z: 23 26.992 1.719 0.862 0.851 0.955 0.727 CB 1.395 23 residues pruned to eliminate duplicates Z: 20 17.678 1.820 0.571 0.629 0.842 0.632 N 1.493 20 residues pruned to eliminate duplicates Z: 24 15.835 1.688 0.866 0.665 0.739 0.435 CB 1.217 24 residues pruned to eliminate duplicates Z: 22 18.873 1.775 0.625 0.710 0.810 0.524 CB 1.459 22 residues pruned to eliminate duplicates Z: 25 25.510 1.788 0.804 0.779 0.917 0.667 CB 1.377 25 residues pruned to eliminate duplicates Z: 24 23.851 1.741 0.663 0.903 0.913 0.565 CB 1.341 23 residues pruned to eliminate duplicates Z: 26 20.654 1.729 0.823 0.941 0.840 0.440 CB 1.083 26 residues pruned to eliminate duplicates Z: 14 13.096 1.621 0.883 0.728 0.846 0.385 CB 1.145 14 residues pruned to eliminate duplicates Z: 14 11.408 1.604 0.618 0.648 0.923 0.538 CB 1.150 14 residues pruned to eliminate duplicates Z: 30 39.947 1.931 0.776 0.900 0.966 0.897 CA 1.600 30 residues pruned to eliminate duplicates Z: 59 42.130 1.963 0.689 0.711 0.983 0.672 CB 1.403 55 residues pruned to eliminate duplicates Z: 17 20.170 1.825 0.354 0.892 1.000 0.688 CA 1.466 17 residues pruned to eliminate duplicates Z: 61 37.480 1.966 0.715 0.654 0.883 0.500 CB 1.408 69 residues pruned to eliminate duplicates Z: 23 19.150 1.898 0.649 0.591 0.909 0.727 CA 1.314 23 residues pruned to eliminate duplicates Z: 61 41.705 1.982 0.681 0.729 0.967 0.717 CB 1.361 61 residues pruned to eliminate duplicates Z: 45 42.311 2.008 0.842 0.775 0.955 0.477 CB 1.417 45 residues pruned to eliminate duplicates Z: 43 37.894 1.955 0.780 0.719 0.905 0.452 CB 1.524 43 residues pruned to eliminate duplicates Z: 46 43.614 2.019 0.798 0.767 0.956 0.711 CB 1.479 46 residues pruned to eliminate duplicates Z: 54 50.255 2.022 0.827 0.801 0.943 0.736 CB 1.523 54 residues pruned to eliminate duplicates Z: 61 40.893 1.958 0.724 0.697 0.900 0.567 CB 1.451 61 residues pruned to eliminate duplicates Z: 29 37.335 1.948 0.729 0.868 0.964 0.821 CA 1.588 29 residues pruned to eliminate duplicates Z: 27 38.147 1.935 0.982 0.817 1.000 0.654 CA 1.482 27 residues pruned to eliminate duplicates Z: 26 37.393 1.984 1.047 0.779 0.920 0.680 CB 1.565 26 residues pruned to eliminate duplicates Z: 26 45.591 2.005 1.141 0.873 0.920 0.720 CB 1.681 26 residues pruned to eliminate duplicates Z: 62 52.706 1.966 1.037 0.804 0.951 0.623 CB 1.359 62 residues pruned to eliminate duplicates Z: 61 49.912 1.969 0.979 0.776 0.933 0.550 CB 1.389 61 residues pruned to eliminate duplicates Z: 50 42.138 1.974 0.977 0.729 0.918 0.531 CB 1.366 50 residues pruned to eliminate duplicates Z: 57 47.098 1.963 1.059 0.749 0.929 0.518 CB 1.344 57 residues pruned to eliminate duplicates Z: 25 23.180 1.756 0.863 0.752 0.833 0.500 CB 1.387 25 residues pruned to eliminate duplicates Z: 62 54.839 1.978 0.942 0.813 0.967 0.623 CB 1.439 62 residues pruned to eliminate duplicates Z: 16 27.245 1.853 1.088 0.813 0.867 0.533 CA 1.598 16 residues pruned to eliminate duplicates Z: 16 32.264 1.958 0.991 0.898 0.933 0.667 CB 1.637 16 residues pruned to eliminate duplicates Z: 33 24.493 1.819 0.862 0.626 0.812 0.594 N 1.398 33 residues pruned to eliminate duplicates Z: 63 52.860 1.962 1.007 0.787 0.952 0.613 CB 1.391 63 residues pruned to eliminate duplicates Z: 72 56.531 1.966 1.099 0.749 0.930 0.549 CB 1.401 74 residues pruned to eliminate duplicates Z: 9 9.600 1.575 0.899 0.654 0.875 0.250 CB 1.124 9 residues pruned to eliminate duplicates Z: 13 12.334 1.830 0.384 0.539 0.917 0.667 CA 1.476 13 residues pruned to eliminate duplicates Z: 11 11.275 1.923 0.453 0.592 0.800 0.700 CA 1.461 11 residues pruned to eliminate duplicates Z: 16 10.663 1.761 0.566 0.528 0.800 0.600 CB 1.215 16 residues pruned to eliminate duplicates Z: 27 15.439 1.776 0.578 0.541 0.808 0.462 CB 1.285 35 residues pruned to eliminate duplicates Z: 29 17.067 1.808 0.539 0.495 0.857 0.536 CB 1.358 29 residues pruned to eliminate duplicates Z: 61 41.409 1.947 0.704 0.726 0.917 0.700 CB 1.434 61 residues pruned to eliminate duplicates Z: 35 28.346 1.934 0.719 0.668 0.912 0.735 CB 1.373 35 residues pruned to eliminate duplicates Z: 31 35.975 1.935 0.786 0.837 1.000 0.800 CB 1.421 31 residues pruned to eliminate duplicates Z: 36 33.168 1.922 0.832 0.655 0.886 0.571 CB 1.557 36 residues pruned to eliminate duplicates Z: 38 19.595 1.844 0.522 0.574 0.784 0.432 CB 1.364 38 residues pruned to eliminate duplicates Z: 31 21.895 1.902 0.580 0.628 0.833 0.600 CB 1.415 31 residues pruned to eliminate duplicates Z: 38 27.621 1.911 0.644 0.679 0.865 0.568 CB 1.418 38 residues pruned to eliminate duplicates Z: 31 23.631 1.886 0.467 0.668 0.967 0.500 CB 1.381 31 residues pruned to eliminate duplicates Z: 41 32.428 1.919 0.681 0.692 0.925 0.600 CB 1.441 41 residues pruned to eliminate duplicates Z: 36 28.098 1.924 0.725 0.678 0.886 0.514 CB 1.371 36 residues pruned to eliminate duplicates Z: 30 27.454 2.002 0.749 0.783 0.828 0.517 CB 1.371 30 residues pruned to eliminate duplicates Z: 26 29.734 2.021 0.940 0.705 0.880 0.600 CB 1.430 26 residues pruned to eliminate duplicates Z: 26 29.953 1.946 0.869 0.748 0.880 0.400 CB 1.499 26 residues pruned to eliminate duplicates Z: 28 36.384 2.046 0.876 0.840 0.963 0.704 CB 1.414 28 residues pruned to eliminate duplicates Z: 44 27.001 1.894 0.679 0.683 0.860 0.442 CB 1.272 44 residues pruned to eliminate duplicates Z: 60 35.577 1.932 0.785 0.589 0.898 0.525 CB 1.372 60 residues pruned to eliminate duplicates Z: 60 31.745 1.883 0.684 0.633 0.881 0.475 CB 1.305 60 residues pruned to eliminate duplicates Z: 49 45.882 2.021 0.849 0.744 0.958 0.708 CB 1.487 49 residues pruned to eliminate duplicates Z: 63 31.557 1.836 0.765 0.619 0.887 0.532 CB 1.246 63 residues pruned to eliminate duplicates Z: 43 32.944 1.926 0.788 0.698 0.905 0.429 CB 1.362 43 residues pruned to eliminate duplicates Z: 24 12.364 1.689 0.735 0.371 0.783 0.261 CB 1.291 24 residues pruned to eliminate duplicates Z: 29 36.817 2.017 1.012 0.830 0.929 0.357 CB 1.388 29 residues pruned to eliminate duplicates 129 residues left after pruning, divided into chains as follows: A: 29 B: 27 C: 73 CC for partial structure against native data = 37.16 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.468, Connect. = 0.680 for dens.mod. cycle 1 = 0.300, Contrast = 0.545, Connect. = 0.706 for dens.mod. cycle 2 = 0.300, Contrast = 0.651, Connect. = 0.737 for dens.mod. cycle 3 = 0.300, Contrast = 0.666, Connect. = 0.740 for dens.mod. cycle 4 = 0.300, Contrast = 0.677, Connect. = 0.742 for dens.mod. cycle 5 = 0.300, Contrast = 0.682, Connect. = 0.743 for dens.mod. cycle 6 = 0.300, Contrast = 0.685, Connect. = 0.746 for dens.mod. cycle 7 = 0.300, Contrast = 0.686, Connect. = 0.747 for dens.mod. cycle 8 = 0.300, Contrast = 0.686, Connect. = 0.747 for dens.mod. cycle 9 = 0.300, Contrast = 0.687, Connect. = 0.748 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 638 peaks > 0.5 sigma used to seed fragment search Space for about 225 unique residues taking solvent into account 154 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 36.577 2.148 0.730 0.933 0.952 0.810 CB 1.574 B: 29 30.480 2.017 0.756 0.868 0.857 0.607 CB 1.386 23 residues pruned to eliminate duplicates C: 28 37.887 2.048 0.777 0.901 0.963 0.704 CB 1.486 27 residues pruned to eliminate duplicates D: 27 38.766 2.079 0.625 0.936 1.000 0.846 CB 1.567 27 residues pruned to eliminate duplicates E: 18 30.988 1.954 0.935 0.894 0.882 0.706 CB 1.616 F: 27 44.093 2.127 1.028 0.913 0.962 0.577 CB 1.475 28 residues pruned to eliminate duplicates G: 27 41.546 2.130 0.966 0.920 0.923 0.577 CB 1.484 27 residues pruned to eliminate duplicates H: 29 43.074 1.933 0.983 0.920 0.964 0.607 CB 1.550 18 residues pruned to eliminate duplicates I: 27 39.654 2.110 1.018 0.926 0.962 0.500 CB 1.331 27 residues pruned to eliminate duplicates J: 20 33.542 1.870 0.950 0.915 1.000 0.684 CB 1.492 20 residues pruned to eliminate duplicates K: 27 45.252 2.120 0.927 0.932 1.000 0.654 CB 1.518 28 residues pruned to eliminate duplicates L: 24 28.184 1.811 0.720 0.897 0.957 0.870 CB 1.411 M: 27 43.838 2.120 0.865 0.933 1.000 0.692 CB 1.518 27 residues pruned to eliminate duplicates N: 19 20.947 1.882 0.553 0.893 0.889 0.833 CA 1.364 O: 27 44.516 2.096 1.044 0.915 1.000 0.500 CB 1.440 27 residues pruned to eliminate duplicates P: 23 21.611 1.799 0.483 0.900 0.955 0.818 CB 1.293 23 residues pruned to eliminate duplicates Q: 17 19.073 1.857 0.378 0.833 0.938 0.625 CB 1.491 17 residues pruned to eliminate duplicates R: 27 29.741 1.862 0.580 0.923 0.962 0.885 CA 1.449 24 residues pruned to eliminate duplicates S: 29 43.177 1.946 0.864 0.952 1.000 0.964 CA 1.549 29 residues pruned to eliminate duplicates T: 17 23.678 1.848 0.603 0.845 0.938 0.375 CB 1.584 17 residues pruned to eliminate duplicates U: 27 31.668 1.832 0.776 0.899 1.000 0.654 CB 1.364 27 residues pruned to eliminate duplicates V: 14 21.273 1.880 0.511 0.903 0.923 0.769 CB 1.603 14 residues pruned to eliminate duplicates W: 15 16.638 1.676 0.445 0.841 1.000 0.786 CB 1.370 6 residues pruned to eliminate duplicates X: 28 37.663 2.037 0.674 0.923 1.000 0.741 CB 1.494 28 residues pruned to eliminate duplicates Y: 26 36.301 2.051 0.579 0.938 1.000 0.720 CA 1.559 26 residues pruned to eliminate duplicates Z: 19 7.408 1.829 0.177 0.452 0.778 0.444 CB 1.095 Z: 29 24.348 1.842 0.513 0.888 0.929 0.786 CB 1.281 28 residues pruned to eliminate duplicates Z: 27 36.896 1.961 0.993 0.921 0.885 0.615 CB 1.473 27 residues pruned to eliminate duplicates Z: 28 27.507 1.830 0.470 0.940 0.963 0.852 CB 1.419 29 residues pruned to eliminate duplicates Z: 27 28.485 1.837 0.627 0.905 0.962 0.654 CB 1.383 27 residues pruned to eliminate duplicates Z: 22 30.195 2.067 0.573 0.905 0.952 0.905 CA 1.515 22 residues pruned to eliminate duplicates Z: 28 34.286 1.927 0.633 0.918 0.963 0.889 CA 1.535 28 residues pruned to eliminate duplicates Z: 28 27.882 1.880 0.452 0.926 1.000 0.889 CB 1.378 28 residues pruned to eliminate duplicates Z: 27 35.277 2.066 0.573 0.925 1.000 0.923 CA 1.493 27 residues pruned to eliminate duplicates Z: 30 39.047 1.919 0.838 0.911 1.000 0.759 CA 1.457 30 residues pruned to eliminate duplicates Z: 58 37.157 1.968 0.640 0.643 0.912 0.632 CB 1.462 61 residues pruned to eliminate duplicates Z: 28 33.747 1.906 0.608 0.933 0.963 0.889 CB 1.536 28 residues pruned to eliminate duplicates Z: 29 46.266 1.944 1.016 0.950 1.000 0.750 CB 1.538 29 residues pruned to eliminate duplicates Z: 29 35.209 1.860 0.951 0.921 0.929 0.607 CB 1.390 29 residues pruned to eliminate duplicates Z: 19 23.130 1.865 0.530 0.871 0.944 0.778 CB 1.476 19 residues pruned to eliminate duplicates Z: 30 37.580 1.830 0.940 0.903 0.966 0.655 CB 1.450 30 residues pruned to eliminate duplicates Z: 28 26.781 1.789 0.618 0.894 0.963 0.852 CB 1.326 28 residues pruned to eliminate duplicates Z: 15 11.197 1.523 0.620 0.868 0.857 0.571 CB 1.034 15 residues pruned to eliminate duplicates Z: 27 36.965 2.076 0.651 0.914 1.000 0.885 CA 1.496 27 residues pruned to eliminate duplicates Z: 27 29.240 1.890 0.497 0.947 1.000 0.846 CB 1.401 26 residues pruned to eliminate duplicates Z: 27 29.803 1.873 0.708 0.916 0.962 0.654 CB 1.342 27 residues pruned to eliminate duplicates Z: 28 40.122 1.941 0.749 0.918 1.000 0.778 CB 1.603 28 residues pruned to eliminate duplicates Z: 11 11.840 1.581 0.681 0.820 0.800 0.800 O 1.334 10 residues pruned to eliminate duplicates Z: 28 37.291 2.030 0.672 0.921 0.963 0.815 CB 1.546 28 residues pruned to eliminate duplicates Z: 18 36.235 1.915 1.090 0.880 1.000 0.706 CB 1.591 18 residues pruned to eliminate duplicates Z: 10 9.112 1.708 0.213 0.859 0.889 0.778 CB 1.213 10 residues pruned to eliminate duplicates Z: 27 42.145 2.097 1.066 0.928 0.962 0.731 CB 1.389 27 residues pruned to eliminate duplicates Z: 16 19.522 1.883 0.431 0.892 0.933 0.867 CB 1.440 16 residues pruned to eliminate duplicates Z: 21 20.480 1.732 0.788 0.896 0.900 0.550 CB 1.177 21 residues pruned to eliminate duplicates Z: 19 34.045 1.885 0.944 0.913 1.000 0.833 CB 1.549 19 residues pruned to eliminate duplicates Z: 30 30.171 1.781 0.773 0.893 0.966 0.690 CB 1.320 30 residues pruned to eliminate duplicates Z: 18 25.736 1.908 0.974 0.900 0.765 0.471 N 1.548 18 residues pruned to eliminate duplicates Z: 20 28.745 1.832 1.210 0.861 0.842 0.526 CB 1.421 20 residues pruned to eliminate duplicates Z: 29 32.228 1.929 0.482 0.903 1.000 0.893 CA 1.519 29 residues pruned to eliminate duplicates Z: 28 32.433 1.940 0.791 0.923 0.889 0.704 CB 1.421 28 residues pruned to eliminate duplicates Z: 41 29.465 1.979 0.410 0.694 0.950 0.650 CB 1.472 42 residues pruned to eliminate duplicates Z: 11 11.635 1.585 0.247 0.862 1.000 0.700 N 1.367 11 residues pruned to eliminate duplicates Z: 15 13.201 1.821 0.387 0.795 0.857 0.857 CA 1.258 15 residues pruned to eliminate duplicates Z: 6 6.947 1.706 0.315 0.512 1.000 0.200 CA 1.369 6 residues pruned to eliminate duplicates Z: 10 17.853 1.864 0.524 0.907 1.000 0.667 CA 1.488 10 residues pruned to eliminate duplicates Z: 19 26.176 1.814 0.867 0.876 0.944 0.722 CB 1.402 19 residues pruned to eliminate duplicates Z: 28 35.274 1.931 0.723 0.924 0.963 0.852 CA 1.487 28 residues pruned to eliminate duplicates Z: 28 40.627 2.062 0.957 0.917 0.963 0.370 CB 1.420 28 residues pruned to eliminate duplicates Z: 15 23.404 1.872 0.737 0.894 0.929 0.857 CB 1.487 15 residues pruned to eliminate duplicates Z: 28 32.095 1.960 0.544 0.926 0.926 0.852 CA 1.545 28 residues pruned to eliminate duplicates Z: 7 6.033 1.358 0.420 0.800 1.000 0.667 CB 0.982 7 residues pruned to eliminate duplicates Z: 24 30.176 1.921 0.719 0.921 0.957 0.652 CA 1.402 24 residues pruned to eliminate duplicates Z: 27 27.010 1.860 0.593 0.918 0.923 0.846 CB 1.366 28 residues pruned to eliminate duplicates Z: 29 28.973 1.792 0.487 0.922 1.000 0.857 CB 1.445 29 residues pruned to eliminate duplicates Z: 39 21.525 1.717 0.425 0.672 0.947 0.789 CB 1.285 34 residues pruned to eliminate duplicates Z: 28 26.031 1.829 0.431 0.923 1.000 0.815 CB 1.345 28 residues pruned to eliminate duplicates Z: 27 37.665 1.961 0.710 0.940 0.962 0.962 CB 1.592 27 residues pruned to eliminate duplicates Z: 28 29.077 1.802 0.850 0.908 0.889 0.370 CB 1.342 27 residues pruned to eliminate duplicates 7 1.193 1.244 0.586 0.589 0.667 0.333 CB 0.340 ? Z: 27 28.639 1.795 0.866 0.925 0.885 0.615 CB 1.331 28 residues pruned to eliminate duplicates Z: 17 28.171 1.941 0.770 0.926 0.875 0.875 CB 1.643 17 residues pruned to eliminate duplicates Z: 22 22.160 1.799 0.759 0.863 0.952 0.429 CB 1.178 22 residues pruned to eliminate duplicates Z: 6 4.496 1.602 0.893 0.513 0.800 0.400 CB 0.818 Z: 17 24.668 1.811 1.050 0.904 0.938 0.312 CB 1.261 17 residues pruned to eliminate duplicates Z: 17 31.279 1.879 1.054 0.919 1.000 0.750 CB 1.429 17 residues pruned to eliminate duplicates Z: 29 27.157 1.772 0.832 0.872 0.929 0.607 CB 1.241 29 residues pruned to eliminate duplicates Z: 27 43.305 2.108 1.016 0.931 0.962 0.615 CB 1.452 27 residues pruned to eliminate duplicates Z: 17 20.803 1.953 0.605 0.880 0.938 0.875 CB 1.282 17 residues pruned to eliminate duplicates Z: 17 9.838 1.790 0.400 0.532 0.875 0.562 CB 1.087 17 residues pruned to eliminate duplicates Z: 6 3.753 1.628 1.081 0.553 0.600 0.400 CB 0.785 Z: 25 25.461 1.763 0.685 0.904 0.958 0.708 CB 1.300 25 residues pruned to eliminate duplicates Z: 26 22.479 1.831 0.617 0.749 0.920 0.680 CB 1.321 32 residues pruned to eliminate duplicates 9 1.850 1.383 0.304 0.384 0.500 0.250 CB 0.820 ? 6 1.634 1.489 0.165 0.288 0.800 0.800 N 0.668 ? Z: 24 21.955 1.803 0.708 0.859 0.913 0.304 CB 1.198 24 residues pruned to eliminate duplicates Z: 29 12.392 1.753 0.407 0.505 0.857 0.571 CB 1.102 29 residues pruned to eliminate duplicates Z: 25 9.433 1.727 0.358 0.429 0.792 0.500 CB 1.116 25 residues pruned to eliminate duplicates Z: 20 26.927 1.895 0.833 0.754 0.895 0.737 CA 1.585 20 residues pruned to eliminate duplicates Z: 26 37.635 2.059 0.919 0.941 0.920 0.480 CB 1.437 26 residues pruned to eliminate duplicates Z: 10 8.459 1.907 0.412 0.581 0.889 0.444 CB 1.090 8 residues pruned to eliminate duplicates Z: 23 26.963 1.919 0.754 0.882 0.955 0.455 CB 1.295 23 residues pruned to eliminate duplicates Z: 8 5.378 1.526 0.400 0.566 0.857 0.429 CB 1.041 Z: 14 6.641 1.681 0.263 0.498 0.846 0.615 CB 1.027 11 residues pruned to eliminate duplicates Z: 7 2.352 1.507 0.660 0.578 0.833 0.500 CB 0.427 Z: 7 3.714 1.587 0.740 0.741 0.667 0.667 CB 0.664 Z: 29 30.668 1.869 0.567 0.883 1.000 0.929 CA 1.431 28 residues pruned to eliminate duplicates Z: 17 28.476 1.932 0.841 0.912 0.938 0.812 CB 1.512 17 residues pruned to eliminate duplicates Z: 33 32.037 1.993 0.614 0.731 0.938 0.688 CB 1.526 33 residues pruned to eliminate duplicates Z: 16 6.143 1.566 0.688 0.232 0.733 0.267 N 1.117 16 residues pruned to eliminate duplicates Z: 30 38.685 1.844 0.824 0.927 1.000 0.793 CB 1.497 30 residues pruned to eliminate duplicates Z: 26 10.016 1.738 0.421 0.390 0.800 0.480 CB 1.139 26 residues pruned to eliminate duplicates Z: 13 13.620 1.866 0.516 0.773 0.833 0.583 CA 1.309 13 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 30 25.719 1.805 0.453 0.861 0.966 0.828 CB 1.386 30 residues pruned to eliminate duplicates Z: 27 19.082 1.771 0.297 0.793 0.962 0.731 CB 1.311 20 residues pruned to eliminate duplicates Z: 20 22.649 1.854 0.456 0.921 1.000 0.842 CA 1.355 20 residues pruned to eliminate duplicates Z: 28 19.089 1.794 0.622 0.666 0.889 0.630 CB 1.219 28 residues pruned to eliminate duplicates Z: 34 23.562 1.834 0.418 0.733 0.970 0.667 CB 1.320 34 residues pruned to eliminate duplicates Z: 14 14.893 1.782 0.651 0.580 0.923 0.538 CB 1.408 14 residues pruned to eliminate duplicates Z: 20 17.202 1.802 0.623 0.619 1.000 0.632 CB 1.206 20 residues pruned to eliminate duplicates Z: 33 26.772 1.826 0.610 0.763 0.969 0.719 CB 1.316 35 residues pruned to eliminate duplicates Z: 27 34.867 1.880 0.772 0.928 1.000 0.808 CB 1.437 31 residues pruned to eliminate duplicates Z: 29 27.216 1.813 0.516 0.904 0.964 0.786 CB 1.383 29 residues pruned to eliminate duplicates Z: 32 26.364 1.817 0.650 0.768 0.935 0.677 CB 1.331 32 residues pruned to eliminate duplicates Z: 32 29.590 1.837 0.660 0.781 0.968 0.774 CB 1.406 32 residues pruned to eliminate duplicates Z: 31 30.959 1.863 0.667 0.811 0.967 0.700 CB 1.436 31 residues pruned to eliminate duplicates Z: 30 28.855 1.885 0.526 0.849 1.000 0.897 CB 1.381 30 residues pruned to eliminate duplicates Z: 35 25.453 1.806 0.602 0.753 0.941 0.765 CB 1.280 35 residues pruned to eliminate duplicates Z: 35 26.394 1.806 0.554 0.728 0.941 0.676 CB 1.396 35 residues pruned to eliminate duplicates Z: 30 27.323 1.879 0.512 0.860 0.966 0.690 CB 1.360 30 residues pruned to eliminate duplicates Z: 31 27.312 1.857 0.729 0.820 0.933 0.567 CB 1.261 31 residues pruned to eliminate duplicates Z: 37 26.092 1.814 0.612 0.720 0.917 0.750 CB 1.329 37 residues pruned to eliminate duplicates Z: 31 28.333 1.879 0.643 0.821 0.967 0.667 CB 1.313 31 residues pruned to eliminate duplicates Z: 13 10.035 1.638 0.363 0.600 0.917 0.833 CB 1.286 13 residues pruned to eliminate duplicates Z: 38 26.188 1.779 0.686 0.705 0.946 0.622 CB 1.259 38 residues pruned to eliminate duplicates Z: 21 14.473 1.690 0.364 0.599 0.900 0.700 CB 1.420 21 residues pruned to eliminate duplicates Z: 23 18.820 1.811 0.216 0.703 1.000 0.818 CB 1.515 23 residues pruned to eliminate duplicates Z: 36 27.117 1.785 0.613 0.716 1.000 0.714 CB 1.309 36 residues pruned to eliminate duplicates Z: 33 30.961 1.850 0.770 0.792 1.000 0.531 CB 1.294 29 residues pruned to eliminate duplicates Z: 29 31.736 1.835 0.744 0.910 1.000 0.607 CB 1.330 29 residues pruned to eliminate duplicates Z: 21 28.656 1.837 0.724 0.820 1.000 0.700 CB 1.534 21 residues pruned to eliminate duplicates Z: 49 30.106 1.810 0.638 0.742 0.917 0.667 CB 1.287 49 residues pruned to eliminate duplicates Z: 16 24.097 1.883 0.498 0.886 1.000 0.600 N 1.592 16 residues pruned to eliminate duplicates Z: 16 22.978 1.851 0.629 0.901 0.933 0.733 CB 1.505 16 residues pruned to eliminate duplicates Z: 16 22.026 1.844 0.649 0.872 1.000 0.667 CB 1.364 16 residues pruned to eliminate duplicates Z: 24 14.723 1.672 0.658 0.632 0.913 0.348 CB 1.072 24 residues pruned to eliminate duplicates Z: 16 23.727 1.812 0.823 0.855 1.000 0.667 CB 1.369 16 residues pruned to eliminate duplicates Z: 16 24.841 1.818 0.921 0.871 1.000 0.600 CB 1.340 16 residues pruned to eliminate duplicates Z: 16 24.099 1.796 0.950 0.840 1.000 0.400 CB 1.326 16 residues pruned to eliminate duplicates Z: 23 33.754 1.843 0.924 0.848 1.000 0.591 CB 1.504 23 residues pruned to eliminate duplicates Z: 16 20.824 1.739 0.825 0.826 0.933 0.600 CB 1.369 16 residues pruned to eliminate duplicates Z: 69 34.423 1.784 0.647 0.683 0.912 0.515 CB 1.317 69 residues pruned to eliminate duplicates Z: 19 23.447 1.754 0.900 0.849 0.944 0.611 N 1.302 19 residues pruned to eliminate duplicates Z: 22 22.520 1.722 0.744 0.788 0.952 0.619 CB 1.334 22 residues pruned to eliminate duplicates Z: 16 20.528 1.804 0.842 0.789 0.933 0.733 CB 1.326 16 residues pruned to eliminate duplicates Z: 22 21.024 1.745 0.876 0.774 0.905 0.476 CB 1.215 22 residues pruned to eliminate duplicates Z: 16 16.137 1.733 0.642 0.766 0.867 0.467 CB 1.334 16 residues pruned to eliminate duplicates Z: 23 23.826 1.772 0.773 0.771 0.955 0.455 CB 1.333 23 residues pruned to eliminate duplicates Z: 23 27.747 1.859 0.980 0.884 0.909 0.409 CB 1.278 23 residues pruned to eliminate duplicates Z: 61 41.372 1.818 0.834 0.808 0.967 0.533 CB 1.266 59 residues pruned to eliminate duplicates Z: 24 23.754 1.714 0.847 0.904 0.913 0.304 CB 1.221 25 residues pruned to eliminate duplicates Z: 27 34.497 1.850 0.891 0.919 0.962 0.500 CB 1.417 27 residues pruned to eliminate duplicates Z: 56 38.304 1.813 0.862 0.808 0.964 0.545 CB 1.214 55 residues pruned to eliminate duplicates Z: 17 22.282 1.683 0.984 0.897 0.938 0.250 CB 1.274 19 residues pruned to eliminate duplicates Z: 6 5.153 1.605 0.456 0.412 1.000 0.600 N 1.081 6 residues pruned to eliminate duplicates Z: 44 22.157 1.938 0.266 0.643 0.884 0.628 CB 1.363 44 residues pruned to eliminate duplicates Z: 12 8.949 1.916 0.331 0.602 0.818 0.545 CB 1.173 12 residues pruned to eliminate duplicates Z: 19 6.220 1.811 0.120 0.374 0.722 0.444 CB 1.146 19 residues pruned to eliminate duplicates Z: 49 22.457 1.898 0.424 0.522 0.917 0.583 CB 1.279 49 residues pruned to eliminate duplicates Z: 39 28.184 1.907 0.498 0.665 0.921 0.684 CB 1.492 39 residues pruned to eliminate duplicates Z: 19 7.874 1.871 0.107 0.430 0.833 0.500 CB 1.156 19 residues pruned to eliminate duplicates Z: 43 28.872 1.974 0.539 0.637 0.929 0.667 CB 1.389 43 residues pruned to eliminate duplicates Z: 20 9.387 1.831 0.404 0.386 0.789 0.526 CB 1.198 20 residues pruned to eliminate duplicates Z: 44 31.907 1.968 0.584 0.667 0.953 0.698 CB 1.403 44 residues pruned to eliminate duplicates Z: 60 34.263 1.923 0.546 0.660 0.898 0.695 CB 1.439 60 residues pruned to eliminate duplicates Z: 45 29.483 1.974 0.544 0.634 0.932 0.682 CB 1.380 45 residues pruned to eliminate duplicates Z: 38 20.714 1.875 0.480 0.552 0.919 0.622 CB 1.269 38 residues pruned to eliminate duplicates Z: 23 9.234 1.779 0.231 0.436 0.864 0.455 CB 1.112 23 residues pruned to eliminate duplicates Z: 48 26.507 1.966 0.386 0.692 0.894 0.787 CB 1.332 48 residues pruned to eliminate duplicates Z: 33 29.857 1.973 0.503 0.730 0.938 0.719 CB 1.543 33 residues pruned to eliminate duplicates Z: 36 27.603 1.991 0.563 0.682 0.914 0.657 CB 1.388 36 residues pruned to eliminate duplicates Z: 43 29.498 1.952 0.528 0.650 0.929 0.667 CB 1.429 43 residues pruned to eliminate duplicates Z: 37 30.449 1.965 0.577 0.678 0.972 0.528 CB 1.430 37 residues pruned to eliminate duplicates Z: 35 31.650 1.975 0.640 0.676 0.971 0.676 CB 1.468 35 residues pruned to eliminate duplicates Z: 44 29.855 1.977 0.599 0.645 0.977 0.651 CB 1.287 44 residues pruned to eliminate duplicates Z: 42 28.602 1.990 0.551 0.686 0.927 0.610 CB 1.317 42 residues pruned to eliminate duplicates Z: 58 30.858 1.952 0.559 0.612 0.912 0.667 CB 1.324 58 residues pruned to eliminate duplicates Z: 58 32.527 1.985 0.449 0.687 0.912 0.667 CB 1.384 61 residues pruned to eliminate duplicates Z: 27 38.161 2.101 0.698 0.904 0.962 0.846 CA 1.555 27 residues pruned to eliminate duplicates Z: 40 28.904 1.970 0.488 0.717 0.974 0.692 CB 1.332 40 residues pruned to eliminate duplicates Z: 33 33.251 2.032 0.716 0.699 0.969 0.625 CB 1.451 33 residues pruned to eliminate duplicates Z: 70 40.080 1.963 0.662 0.678 0.928 0.667 CB 1.354 70 residues pruned to eliminate duplicates Z: 35 32.054 1.972 0.622 0.711 0.941 0.676 CB 1.508 35 residues pruned to eliminate duplicates Z: 65 39.486 1.998 0.637 0.687 0.922 0.609 CB 1.379 65 residues pruned to eliminate duplicates Z: 57 49.253 1.991 0.725 0.810 0.964 0.839 CB 1.516 34 residues pruned to eliminate duplicates Z: 26 42.197 2.126 1.061 0.891 1.000 0.560 CB 1.384 13 residues pruned to eliminate duplicates Z: 27 42.024 2.102 0.979 0.917 0.962 0.692 CB 1.454 26 residues pruned to eliminate duplicates Z: 26 39.468 2.138 0.899 0.910 0.920 0.400 CB 1.498 26 residues pruned to eliminate duplicates Z: 56 31.757 1.955 0.656 0.627 0.873 0.527 CB 1.344 37 residues pruned to eliminate duplicates Z: 27 40.192 2.100 1.081 0.920 0.885 0.500 CB 1.435 27 residues pruned to eliminate duplicates Z: 48 40.355 2.029 0.730 0.705 0.957 0.702 CB 1.454 60 residues pruned to eliminate duplicates Z: 27 45.546 2.117 1.080 0.912 1.000 0.538 CB 1.436 27 residues pruned to eliminate duplicates Z: 53 43.679 2.009 0.739 0.691 0.981 0.692 CB 1.485 53 residues pruned to eliminate duplicates Z: 58 42.786 1.971 0.785 0.693 0.982 0.632 CB 1.374 55 residues pruned to eliminate duplicates Z: 26 43.465 2.156 1.000 0.912 0.960 0.600 CB 1.487 26 residues pruned to eliminate duplicates Z: 68 47.358 2.016 0.647 0.732 0.985 0.657 CB 1.436 60 residues pruned to eliminate duplicates Z: 28 47.596 2.153 1.034 0.866 1.000 0.778 CB 1.531 28 residues pruned to eliminate duplicates Z: 40 34.617 2.015 0.743 0.669 0.949 0.538 CB 1.423 40 residues pruned to eliminate duplicates Z: 70 41.178 1.990 0.651 0.688 0.913 0.623 CB 1.392 70 residues pruned to eliminate duplicates Z: 61 40.120 1.981 0.624 0.665 0.950 0.583 CB 1.455 61 residues pruned to eliminate duplicates Z: 62 43.462 2.005 0.774 0.709 0.918 0.623 CB 1.409 62 residues pruned to eliminate duplicates Z: 50 47.690 2.069 0.786 0.813 0.939 0.633 CB 1.497 50 residues pruned to eliminate duplicates Z: 70 46.381 2.010 0.792 0.706 0.913 0.594 CB 1.408 70 residues pruned to eliminate duplicates Z: 25 20.138 1.864 0.716 0.684 0.875 0.625 CB 1.240 25 residues pruned to eliminate duplicates Z: 76 53.627 1.979 0.838 0.755 0.960 0.600 CB 1.413 76 residues pruned to eliminate duplicates Z: 70 45.806 2.003 0.788 0.691 0.942 0.667 CB 1.372 70 residues pruned to eliminate duplicates Z: 68 46.642 2.011 0.852 0.723 0.910 0.612 CB 1.374 68 residues pruned to eliminate duplicates Z: 77 43.809 1.942 0.831 0.692 0.947 0.553 CB 1.252 77 residues pruned to eliminate duplicates Z: 64 44.550 1.951 0.874 0.701 0.921 0.508 CB 1.389 64 residues pruned to eliminate duplicates Z: 70 48.774 2.007 0.827 0.700 0.942 0.507 CB 1.417 70 residues pruned to eliminate duplicates Z: 59 52.245 2.019 0.954 0.748 0.931 0.638 CB 1.496 59 residues pruned to eliminate duplicates Z: 25 42.600 1.913 1.102 0.893 1.000 0.542 CB 1.553 25 residues pruned to eliminate duplicates Z: 19 29.196 1.928 1.228 0.769 0.944 0.444 CB 1.337 19 residues pruned to eliminate duplicates Z: 20 13.127 1.614 0.868 0.516 0.789 0.526 CA 1.246 20 residues pruned to eliminate duplicates Z: 18 32.608 1.927 0.821 0.892 1.000 0.647 CB 1.619 18 residues pruned to eliminate duplicates Z: 74 54.616 2.018 0.892 0.766 0.945 0.644 CB 1.399 74 residues pruned to eliminate duplicates Z: 76 49.428 1.969 0.934 0.753 0.907 0.547 CB 1.319 76 residues pruned to eliminate duplicates Z: 21 33.150 1.889 1.108 0.887 0.850 0.400 CB 1.579 21 residues pruned to eliminate duplicates Z: 21 43.845 1.939 1.209 0.936 1.000 0.650 N 1.594 22 residues pruned to eliminate duplicates Z: 21 31.203 1.833 1.043 0.870 0.950 0.600 CB 1.431 21 residues pruned to eliminate duplicates Z: 13 18.758 1.769 0.859 0.798 0.833 0.667 CB 1.522 13 residues pruned to eliminate duplicates Z: 74 42.792 1.970 0.773 0.720 0.890 0.616 CB 1.320 74 residues pruned to eliminate duplicates Z: 17 15.228 1.754 0.846 0.622 0.750 0.438 CB 1.397 17 residues pruned to eliminate duplicates Z: 62 52.311 2.001 0.971 0.735 0.967 0.590 CB 1.422 62 residues pruned to eliminate duplicates 133 residues left after pruning, divided into chains as follows: A: 60 B: 18 C: 55 CC for partial structure against native data = 37.98 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.466, Connect. = 0.681 for dens.mod. cycle 1 = 0.300, Contrast = 0.539, Connect. = 0.707 for dens.mod. cycle 2 = 0.300, Contrast = 0.644, Connect. = 0.738 for dens.mod. cycle 3 = 0.300, Contrast = 0.659, Connect. = 0.741 for dens.mod. cycle 4 = 0.300, Contrast = 0.670, Connect. = 0.743 for dens.mod. cycle 5 = 0.300, Contrast = 0.674, Connect. = 0.744 for dens.mod. cycle 6 = 0.300, Contrast = 0.678, Connect. = 0.746 for dens.mod. cycle 7 = 0.300, Contrast = 0.679, Connect. = 0.747 for dens.mod. cycle 8 = 0.300, Contrast = 0.681, Connect. = 0.747 for dens.mod. cycle 9 = 0.300, Contrast = 0.680, Connect. = 0.747 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 641 peaks > 0.5 sigma used to seed fragment search Space for about 225 unique residues taking solvent into account 155 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 25 40.615 2.098 1.083 0.938 0.958 0.542 CB 1.377 B: 23 31.824 2.051 0.846 0.869 0.864 0.591 CB 1.516 23 residues pruned to eliminate duplicates C: 26 34.546 2.041 0.509 0.937 1.000 0.920 CB 1.562 26 residues pruned to eliminate duplicates D: 21 24.916 1.859 0.776 0.869 0.800 0.650 CB 1.541 E: 23 37.124 2.074 0.752 0.909 0.955 0.682 CB 1.619 23 residues pruned to eliminate duplicates F: 17 25.788 1.912 0.934 0.852 0.875 0.812 CB 1.474 17 residues pruned to eliminate duplicates G: 26 41.187 2.085 0.883 0.947 1.000 0.640 CB 1.450 25 residues pruned to eliminate duplicates H: 26 34.280 2.044 0.548 0.911 1.000 0.680 CB 1.535 26 residues pruned to eliminate duplicates I: 26 35.085 2.009 0.823 0.896 0.960 0.760 CB 1.430 26 residues pruned to eliminate duplicates J: 27 25.596 1.808 0.513 0.940 0.962 0.846 CA 1.326 K: 19 35.181 1.925 1.009 0.879 1.000 0.667 CB 1.555 21 residues pruned to eliminate duplicates L: 6 13.067 2.035 0.499 0.765 1.000 1.000 CB 1.515 M: 19 24.524 1.829 0.646 0.899 0.944 0.722 CB 1.454 N: 28 23.633 1.798 0.395 0.878 0.963 0.815 CA 1.366 28 residues pruned to eliminate duplicates O: 26 41.574 2.085 0.858 0.915 1.000 0.840 CB 1.516 25 residues pruned to eliminate duplicates P: 9 10.148 2.029 0.312 0.647 0.875 0.625 CB 1.343 9 residues pruned to eliminate duplicates Q: 29 42.363 1.881 0.989 0.917 1.000 0.536 CB 1.511 19 residues pruned to eliminate duplicates R: 18 28.455 1.929 0.724 0.880 0.941 0.765 CA 1.598 18 residues pruned to eliminate duplicates S: 27 35.582 2.036 0.672 0.903 1.000 0.846 CB 1.462 27 residues pruned to eliminate duplicates T: 28 34.779 1.946 0.720 0.902 0.926 0.889 CA 1.541 28 residues pruned to eliminate duplicates U: 27 28.506 2.025 0.385 0.925 0.962 0.885 CB 1.456 27 residues pruned to eliminate duplicates V: 15 21.798 1.883 0.857 0.851 0.929 0.786 CA 1.328 15 residues pruned to eliminate duplicates W: 27 35.470 2.080 0.566 0.899 1.000 0.808 CB 1.527 27 residues pruned to eliminate duplicates X: 26 18.995 1.667 0.746 0.833 0.840 0.640 CB 1.166 28 residues pruned to eliminate duplicates Y: 20 23.319 1.810 0.811 0.914 0.947 0.789 CB 1.219 19 residues pruned to eliminate duplicates Z: 27 32.834 1.898 0.651 0.926 1.000 0.808 CA 1.440 27 residues pruned to eliminate duplicates Z: 20 22.920 1.856 0.754 0.903 0.895 0.842 CB 1.287 21 residues pruned to eliminate duplicates Z: 26 38.925 2.103 0.862 0.922 1.000 0.800 CB 1.399 26 residues pruned to eliminate duplicates Z: 23 28.626 1.996 0.498 0.906 0.955 0.727 CB 1.521 23 residues pruned to eliminate duplicates Z: 26 32.666 2.031 0.532 0.938 1.000 0.880 CA 1.460 26 residues pruned to eliminate duplicates Z: 25 32.818 2.113 0.611 0.881 0.917 0.708 CB 1.555 25 residues pruned to eliminate duplicates Z: 13 13.632 1.618 0.624 0.837 0.833 0.500 CB 1.344 10 residues pruned to eliminate duplicates Z: 23 31.582 1.840 0.706 0.943 1.000 1.000 CB 1.487 19 residues pruned to eliminate duplicates Z: 29 24.878 1.776 0.368 0.921 1.000 0.786 CB 1.362 28 residues pruned to eliminate duplicates Z: 26 30.079 1.787 0.723 0.903 1.000 0.760 CA 1.392 23 residues pruned to eliminate duplicates Z: 28 30.600 1.769 0.717 0.906 1.000 0.778 CB 1.379 28 residues pruned to eliminate duplicates Z: 29 27.851 1.816 0.478 0.914 1.000 0.821 CB 1.387 29 residues pruned to eliminate duplicates Z: 27 31.170 2.041 0.445 0.917 1.000 0.846 CA 1.462 27 residues pruned to eliminate duplicates Z: 9 11.838 1.822 0.348 0.844 0.875 0.625 CB 1.449 9 residues pruned to eliminate duplicates Z: 29 37.662 1.889 0.917 0.938 0.929 0.679 CB 1.472 29 residues pruned to eliminate duplicates Z: 6 3.088 1.973 0.191 0.448 0.800 0.600 CB 0.775 6 residues pruned to eliminate duplicates Z: 28 26.946 1.805 0.608 0.897 0.963 0.741 CA 1.328 26 residues pruned to eliminate duplicates Z: 19 22.035 1.809 0.603 0.862 0.944 0.944 CB 1.392 19 residues pruned to eliminate duplicates Z: 17 17.534 1.727 0.814 0.893 1.000 0.375 CB 1.005 17 residues pruned to eliminate duplicates Z: 29 41.756 1.892 0.892 0.936 1.000 0.786 CA 1.535 29 residues pruned to eliminate duplicates Z: 27 28.994 1.764 0.700 0.917 0.962 0.923 CA 1.393 27 residues pruned to eliminate duplicates Z: 21 25.748 1.825 0.684 0.895 0.950 0.800 CB 1.413 21 residues pruned to eliminate duplicates Z: 28 20.174 1.823 0.208 0.933 0.963 0.889 CA 1.277 28 residues pruned to eliminate duplicates Z: 25 16.029 1.786 0.706 0.579 0.708 0.542 CB 1.405 25 residues pruned to eliminate duplicates Z: 28 39.348 1.913 0.877 0.924 1.000 0.704 CB 1.480 28 residues pruned to eliminate duplicates Z: 29 35.584 1.908 0.611 0.919 1.000 0.786 CA 1.542 29 residues pruned to eliminate duplicates Z: 29 45.184 1.880 1.314 0.951 0.964 0.500 CB 1.403 29 residues pruned to eliminate duplicates Z: 27 27.352 1.795 0.518 0.915 1.000 0.923 CA 1.392 27 residues pruned to eliminate duplicates Z: 15 23.499 1.894 0.702 0.906 1.000 0.857 CA 1.385 15 residues pruned to eliminate duplicates Z: 28 29.722 1.840 0.657 0.899 1.000 0.667 CB 1.341 28 residues pruned to eliminate duplicates Z: 23 33.890 1.873 1.099 0.894 1.000 0.727 CB 1.319 23 residues pruned to eliminate duplicates Z: 19 22.598 1.749 0.676 0.945 0.944 0.556 CB 1.332 19 residues pruned to eliminate duplicates Z: 29 34.335 2.019 0.817 0.858 0.964 0.500 CB 1.350 29 residues pruned to eliminate duplicates Z: 16 19.394 1.837 0.681 0.920 1.000 0.800 CB 1.141 16 residues pruned to eliminate duplicates Z: 26 39.416 2.088 0.768 0.936 1.000 0.720 CB 1.487 26 residues pruned to eliminate duplicates Z: 28 25.093 1.804 0.478 0.908 0.963 0.815 CB 1.336 28 residues pruned to eliminate duplicates Z: 25 23.961 1.841 0.624 0.927 0.833 0.792 CB 1.376 25 residues pruned to eliminate duplicates Z: 28 36.547 1.926 0.811 0.924 0.963 0.778 CB 1.471 28 residues pruned to eliminate duplicates Z: 24 25.160 1.792 0.954 0.919 0.957 0.435 CB 1.104 25 residues pruned to eliminate duplicates Z: 27 24.974 1.785 0.878 0.883 0.923 0.385 CB 1.145 27 residues pruned to eliminate duplicates Z: 27 28.931 1.871 0.521 0.918 1.000 0.692 CB 1.406 27 residues pruned to eliminate duplicates Z: 26 30.937 2.071 0.346 0.937 1.000 1.000 CB 1.545 26 residues pruned to eliminate duplicates Z: 22 21.780 1.890 0.395 0.936 0.905 0.714 CA 1.388 22 residues pruned to eliminate duplicates Z: 30 37.050 1.918 0.722 0.942 1.000 0.828 CA 1.445 30 residues pruned to eliminate duplicates Z: 25 34.245 2.103 0.542 0.904 1.000 1.000 CB 1.535 25 residues pruned to eliminate duplicates Z: 27 27.203 1.869 0.573 0.911 0.962 0.846 CB 1.337 28 residues pruned to eliminate duplicates Z: 26 24.203 1.674 0.852 0.877 0.920 0.360 CB 1.233 26 residues pruned to eliminate duplicates Z: 17 20.430 1.808 0.399 0.898 0.938 0.812 CB 1.541 17 residues pruned to eliminate duplicates Z: 27 27.010 1.788 0.701 0.914 0.962 0.692 CB 1.281 27 residues pruned to eliminate duplicates Z: 24 35.605 1.936 0.973 0.893 1.000 0.739 CA 1.396 24 residues pruned to eliminate duplicates Z: 26 36.628 2.052 0.702 0.917 1.000 0.920 CB 1.480 26 residues pruned to eliminate duplicates Z: 12 4.277 1.584 0.114 0.396 0.818 0.364 CB 0.996 Z: 24 35.537 2.072 0.843 0.919 1.000 0.522 CB 1.367 24 residues pruned to eliminate duplicates Z: 28 30.187 1.806 0.703 0.913 1.000 0.889 CA 1.336 27 residues pruned to eliminate duplicates Z: 22 36.147 2.039 0.923 0.899 0.952 0.476 CA 1.510 23 residues pruned to eliminate duplicates Z: 8 3.449 1.570 0.164 0.436 0.571 0.429 N 1.333 Z: 19 31.322 1.900 1.128 0.922 0.889 0.389 CB 1.444 19 residues pruned to eliminate duplicates Z: 26 31.485 2.023 0.441 0.918 1.000 0.920 CB 1.523 26 residues pruned to eliminate duplicates Z: 8 2.905 1.301 0.296 0.548 0.714 0.286 CB 0.869 Z: 8 5.958 1.711 0.269 0.491 1.000 0.857 CB 1.047 4 residues pruned to eliminate duplicates Z: 27 35.275 2.056 0.544 0.914 1.000 0.808 CA 1.541 27 residues pruned to eliminate duplicates Z: 24 23.735 1.722 0.908 0.865 0.957 0.435 CB 1.154 24 residues pruned to eliminate duplicates Z: 17 30.313 1.795 0.971 0.881 1.000 0.812 CB 1.550 17 residues pruned to eliminate duplicates Z: 26 29.568 1.875 0.635 0.933 0.960 0.880 CA 1.402 26 residues pruned to eliminate duplicates Z: 28 36.275 1.897 0.701 0.917 0.963 0.852 CA 1.586 28 residues pruned to eliminate duplicates Z: 31 23.586 1.873 0.380 0.742 0.933 0.800 CB 1.437 32 residues pruned to eliminate duplicates Z: 17 22.714 1.790 0.568 0.914 1.000 0.875 CA 1.431 17 residues pruned to eliminate duplicates Z: 26 36.087 1.843 0.880 0.939 1.000 0.720 CB 1.448 26 residues pruned to eliminate duplicates Z: 7 7.686 1.622 0.227 0.725 1.000 0.667 CB 1.288 7 residues pruned to eliminate duplicates Z: 22 29.929 2.074 0.572 0.895 0.952 0.810 CB 1.508 22 residues pruned to eliminate duplicates Z: 24 20.892 1.779 0.685 0.667 0.913 0.783 CA 1.364 24 residues pruned to eliminate duplicates Z: 6 2.365 1.416 0.401 0.846 1.000 0.600 CB 0.396 Z: 39 30.348 1.923 0.728 0.722 0.947 0.737 CB 1.281 39 residues pruned to eliminate duplicates Z: 6 3.701 1.663 0.008 0.657 1.000 0.600 CB 0.853 6 residues pruned to eliminate duplicates Z: 29 31.775 1.900 0.642 0.904 0.929 0.821 CA 1.477 29 residues pruned to eliminate duplicates Z: 28 36.450 1.976 0.612 0.929 0.963 0.815 CA 1.601 28 residues pruned to eliminate duplicates Z: 16 26.764 1.816 1.074 0.896 1.000 0.467 CB 1.314 16 residues pruned to eliminate duplicates Z: 12 5.968 1.572 0.433 0.446 0.818 0.727 CB 1.032 Z: 23 27.615 1.785 0.723 0.900 1.000 0.727 CB 1.367 23 residues pruned to eliminate duplicates Z: 27 31.251 1.810 0.763 0.906 1.000 0.731 CB 1.366 27 residues pruned to eliminate duplicates Z: 27 24.496 2.012 0.664 0.847 0.885 0.462 CB 1.204 27 residues pruned to eliminate duplicates Z: 6 5.382 1.511 0.435 0.532 1.000 0.600 CB 1.076 Z: 27 29.781 1.754 0.854 0.915 1.000 0.577 CB 1.270 28 residues pruned to eliminate duplicates Z: 36 27.151 1.934 0.782 0.661 0.886 0.371 CB 1.295 35 residues pruned to eliminate duplicates Z: 18 30.480 1.887 0.964 0.860 0.941 0.588 CB 1.558 18 residues pruned to eliminate duplicates Z: 6 3.296 1.452 0.262 0.629 0.800 0.800 CB 0.891 6 1.814 1.509 0.446 0.464 0.800 0.600 CB 0.482 ? Z: 27 26.075 1.827 0.568 0.911 0.962 0.885 CA 1.315 27 residues pruned to eliminate duplicates Z: 7 3.866 1.494 0.243 0.571 1.000 0.833 CB 0.794 7 residues pruned to eliminate duplicates Z: 9 4.484 1.731 -0.121 0.577 0.875 0.750 CB 1.105 9 residues pruned to eliminate duplicates Z: 9 3.341 1.434 0.511 0.269 0.750 0.500 CB 0.945 Z: 6 2.828 1.255 0.522 0.497 1.000 0.600 CB 0.664 Z: 7 4.821 1.603 0.205 0.538 0.833 0.667 O 1.178 6 1.747 1.213 -0.028 0.525 0.800 0.600 CB 0.808 ? Z: 11 9.938 1.635 0.677 0.740 0.800 0.300 CB 1.155 11 residues pruned to eliminate duplicates Z: 10 8.758 1.855 0.679 0.398 0.778 0.444 CB 1.342 14 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 31 23.482 1.743 0.472 0.874 1.000 0.867 CA 1.216 30 residues pruned to eliminate duplicates Z: 29 25.507 1.848 0.404 0.867 1.000 0.857 CA 1.359 29 residues pruned to eliminate duplicates Z: 32 30.347 1.879 0.614 0.803 1.000 0.806 CB 1.379 32 residues pruned to eliminate duplicates Z: 34 26.058 1.823 0.559 0.767 0.939 0.788 CB 1.341 34 residues pruned to eliminate duplicates Z: 34 27.589 1.845 0.526 0.759 0.939 0.697 CB 1.443 34 residues pruned to eliminate duplicates Z: 17 14.641 1.794 1.022 0.496 0.875 0.562 CB 1.157 17 residues pruned to eliminate duplicates Z: 39 24.962 1.787 0.576 0.688 0.947 0.579 CB 1.278 42 residues pruned to eliminate duplicates Z: 28 27.465 1.854 0.538 0.926 0.926 0.778 CA 1.404 28 residues pruned to eliminate duplicates Z: 36 29.358 1.832 0.672 0.720 0.943 0.600 CB 1.408 36 residues pruned to eliminate duplicates Z: 39 25.276 1.795 0.597 0.754 0.868 0.658 CB 1.313 45 residues pruned to eliminate duplicates Z: 27 28.881 1.856 0.560 0.929 1.000 0.769 CA 1.369 27 residues pruned to eliminate duplicates Z: 48 32.403 1.842 0.720 0.734 0.915 0.723 CB 1.321 48 residues pruned to eliminate duplicates Z: 24 22.231 1.825 0.558 0.806 0.957 0.696 CB 1.305 24 residues pruned to eliminate duplicates Z: 51 31.545 1.824 0.627 0.750 0.920 0.700 CB 1.306 51 residues pruned to eliminate duplicates Z: 47 32.956 1.876 0.607 0.772 0.935 0.609 CB 1.356 47 residues pruned to eliminate duplicates Z: 34 30.032 1.870 0.687 0.774 0.970 0.667 CB 1.341 34 residues pruned to eliminate duplicates Z: 29 25.422 1.838 0.789 0.832 0.893 0.536 CB 1.229 29 residues pruned to eliminate duplicates Z: 29 28.597 1.893 0.823 0.823 0.893 0.643 CB 1.325 29 residues pruned to eliminate duplicates Z: 47 30.522 1.849 0.677 0.755 0.891 0.630 CB 1.297 47 residues pruned to eliminate duplicates Z: 34 26.254 1.805 0.802 0.752 0.879 0.667 CB 1.277 34 residues pruned to eliminate duplicates Z: 48 33.375 1.842 0.647 0.774 0.936 0.702 CB 1.346 50 residues pruned to eliminate duplicates Z: 29 31.974 1.746 0.818 0.910 1.000 0.679 CB 1.350 29 residues pruned to eliminate duplicates Z: 49 39.151 1.840 0.765 0.769 0.958 0.708 CA 1.431 48 residues pruned to eliminate duplicates Z: 28 31.343 1.851 0.677 0.905 0.963 0.667 CB 1.436 28 residues pruned to eliminate duplicates Z: 30 21.398 1.766 0.676 0.723 0.897 0.690 CB 1.225 30 residues pruned to eliminate duplicates Z: 61 38.659 1.848 0.791 0.777 0.867 0.733 CB 1.362 61 residues pruned to eliminate duplicates Z: 13 13.984 1.758 0.504 0.677 0.917 0.500 CB 1.415 13 residues pruned to eliminate duplicates Z: 34 29.539 1.866 0.725 0.763 0.939 0.515 CB 1.347 33 residues pruned to eliminate duplicates Z: 16 17.880 1.804 0.575 0.848 0.867 0.800 CB 1.390 16 residues pruned to eliminate duplicates Z: 14 20.601 1.932 0.574 0.774 1.000 0.923 CB 1.475 14 residues pruned to eliminate duplicates Z: 14 19.156 1.776 0.560 0.815 1.000 0.846 CA 1.458 14 residues pruned to eliminate duplicates Z: 16 17.010 1.804 0.455 0.722 0.933 0.600 CA 1.467 16 residues pruned to eliminate duplicates Z: 19 19.466 1.812 0.613 0.812 0.944 0.833 CB 1.267 19 residues pruned to eliminate duplicates Z: 47 35.208 1.820 0.826 0.739 0.957 0.587 CB 1.317 48 residues pruned to eliminate duplicates Z: 23 25.847 1.807 0.707 0.918 1.000 0.773 CB 1.260 23 residues pruned to eliminate duplicates Z: 19 22.365 1.805 0.772 0.800 0.944 0.556 CB 1.343 19 residues pruned to eliminate duplicates Z: 21 24.829 1.813 0.800 0.817 0.950 0.650 CB 1.360 21 residues pruned to eliminate duplicates Z: 18 20.501 1.756 0.779 0.755 1.000 0.588 CB 1.269 18 residues pruned to eliminate duplicates Z: 23 26.270 1.766 0.696 0.894 0.955 0.864 CB 1.406 23 residues pruned to eliminate duplicates Z: 17 18.320 1.842 0.785 0.801 1.000 0.375 CB 1.070 17 residues pruned to eliminate duplicates Z: 18 20.653 1.745 0.830 0.830 1.000 0.353 CB 1.179 18 residues pruned to eliminate duplicates Z: 28 20.586 1.743 0.606 0.820 0.926 0.481 CB 1.158 25 residues pruned to eliminate duplicates Z: 17 21.411 1.804 0.752 0.857 1.000 0.375 CB 1.248 17 residues pruned to eliminate duplicates Z: 19 24.878 1.849 0.997 0.819 0.944 0.389 CB 1.276 19 residues pruned to eliminate duplicates Z: 28 24.428 1.767 0.779 0.827 0.926 0.444 CB 1.218 28 residues pruned to eliminate duplicates Z: 48 32.736 1.783 0.862 0.728 0.915 0.489 CB 1.280 48 residues pruned to eliminate duplicates Z: 24 28.419 1.794 1.014 0.866 1.000 0.435 CB 1.200 27 residues pruned to eliminate duplicates Z: 10 9.179 1.599 0.843 0.824 1.000 0.778 CA 0.784 10 residues pruned to eliminate duplicates Z: 23 15.015 1.698 0.674 0.615 0.773 0.364 CB 1.306 23 residues pruned to eliminate duplicates Z: 33 24.648 1.755 0.840 0.768 0.875 0.406 CB 1.216 33 residues pruned to eliminate duplicates Z: 12 13.481 1.696 1.001 0.835 0.727 0.455 CB 1.234 11 residues pruned to eliminate duplicates Z: 7 14.441 1.705 0.944 0.822 1.000 0.167 CA 1.345 8 residues pruned to eliminate duplicates Z: 9 10.991 1.708 0.630 0.854 0.875 0.250 CA 1.178 9 residues pruned to eliminate duplicates Z: 7 6.968 1.743 0.593 0.573 1.000 0.667 CB 0.955 7 residues pruned to eliminate duplicates Z: 8 3.281 1.538 0.179 0.526 0.857 0.714 CB 0.778 8 residues pruned to eliminate duplicates Z: 7 6.986 2.154 0.198 0.544 1.000 0.500 CB 1.058 7 residues pruned to eliminate duplicates Z: 10 6.208 1.402 0.713 0.621 0.778 0.111 CB 0.987 10 residues pruned to eliminate duplicates Z: 8 4.799 1.685 0.361 0.298 0.857 0.571 CB 1.156 8 residues pruned to eliminate duplicates Z: 34 26.308 1.922 0.496 0.705 0.909 0.606 CB 1.453 34 residues pruned to eliminate duplicates Z: 13 6.161 1.642 0.245 0.284 0.833 0.500 CB 1.332 13 residues pruned to eliminate duplicates Z: 12 5.318 1.712 0.173 0.331 0.818 0.455 CB 1.176 12 residues pruned to eliminate duplicates Z: 24 7.776 1.796 0.196 0.393 0.783 0.478 CB 1.079 23 residues pruned to eliminate duplicates Z: 26 40.980 2.084 0.842 0.907 1.000 0.600 CB 1.518 26 residues pruned to eliminate duplicates Z: 43 36.947 2.017 0.714 0.739 0.952 0.524 CB 1.397 50 residues pruned to eliminate duplicates Z: 27 41.370 2.086 0.945 0.905 1.000 0.423 CB 1.423 27 residues pruned to eliminate duplicates Z: 69 47.469 2.013 0.753 0.730 0.941 0.691 CB 1.409 67 residues pruned to eliminate duplicates Z: 26 39.389 2.092 0.943 0.921 1.000 0.480 CB 1.364 26 residues pruned to eliminate duplicates Z: 50 34.266 1.986 0.658 0.634 0.918 0.592 CB 1.427 50 residues pruned to eliminate duplicates Z: 58 38.577 1.970 0.702 0.699 0.895 0.614 CB 1.421 58 residues pruned to eliminate duplicates Z: 58 35.082 1.990 0.627 0.662 0.860 0.596 CB 1.436 66 residues pruned to eliminate duplicates Z: 18 23.962 1.847 0.536 0.805 1.000 0.824 CA 1.571 18 residues pruned to eliminate duplicates Z: 64 43.514 2.004 0.655 0.711 0.968 0.667 CB 1.410 63 residues pruned to eliminate duplicates Z: 29 32.748 1.868 0.642 0.908 0.964 0.857 CA 1.486 29 residues pruned to eliminate duplicates Z: 58 46.491 1.997 0.736 0.768 0.965 0.684 CB 1.452 58 residues pruned to eliminate duplicates Z: 67 44.080 1.988 0.610 0.711 0.970 0.697 CB 1.444 73 residues pruned to eliminate duplicates Z: 27 20.387 1.855 0.764 0.556 0.923 0.615 CB 1.253 27 residues pruned to eliminate duplicates Z: 59 43.599 1.985 0.668 0.759 0.966 0.638 CB 1.422 59 residues pruned to eliminate duplicates Z: 61 39.872 1.983 0.724 0.691 0.933 0.600 CB 1.354 61 residues pruned to eliminate duplicates Z: 65 51.367 2.001 0.738 0.775 0.969 0.719 CB 1.495 65 residues pruned to eliminate duplicates Z: 57 48.056 2.019 0.786 0.772 0.964 0.643 CB 1.452 57 residues pruned to eliminate duplicates Z: 60 41.070 1.983 0.686 0.736 0.881 0.661 CB 1.468 60 residues pruned to eliminate duplicates Z: 64 44.217 1.983 0.763 0.742 0.937 0.556 CB 1.371 64 residues pruned to eliminate duplicates Z: 55 45.497 2.012 0.784 0.729 0.963 0.611 CB 1.458 55 residues pruned to eliminate duplicates Z: 58 46.120 1.986 0.826 0.741 0.965 0.614 CB 1.407 58 residues pruned to eliminate duplicates Z: 69 49.668 1.987 0.825 0.691 0.956 0.632 CB 1.459 69 residues pruned to eliminate duplicates Z: 61 46.059 1.970 0.798 0.744 0.950 0.700 CB 1.420 61 residues pruned to eliminate duplicates Z: 60 47.591 1.997 0.845 0.738 0.932 0.593 CB 1.457 60 residues pruned to eliminate duplicates Z: 69 45.075 2.012 0.678 0.728 0.926 0.706 CB 1.423 69 residues pruned to eliminate duplicates Z: 58 51.095 2.014 0.967 0.753 0.947 0.579 CB 1.440 58 residues pruned to eliminate duplicates Z: 75 48.300 1.965 0.850 0.752 0.919 0.541 CB 1.343 75 residues pruned to eliminate duplicates Z: 18 31.848 1.934 0.917 0.913 0.941 0.765 CA 1.567 18 residues pruned to eliminate duplicates Z: 19 28.030 1.930 0.876 0.829 0.944 0.722 CB 1.453 19 residues pruned to eliminate duplicates Z: 19 26.411 1.929 0.846 0.876 0.944 0.500 CB 1.346 19 residues pruned to eliminate duplicates Z: 64 61.316 2.002 1.018 0.807 0.984 0.587 CB 1.486 65 residues pruned to eliminate duplicates Z: 17 25.849 1.875 1.039 0.875 1.000 0.688 CB 1.230 17 residues pruned to eliminate duplicates Z: 75 52.339 1.966 0.921 0.756 0.973 0.649 CB 1.318 75 residues pruned to eliminate duplicates Z: 56 48.875 1.936 0.798 0.840 0.964 0.673 CB 1.467 29 residues pruned to eliminate duplicates Z: 17 32.743 1.910 1.256 0.938 0.875 0.625 CB 1.510 17 residues pruned to eliminate duplicates Z: 44 26.839 1.928 0.410 0.689 0.884 0.837 CA 1.433 26 residues pruned to eliminate duplicates Z: 25 29.640 2.033 0.474 0.854 1.000 0.833 CB 1.492 25 residues pruned to eliminate duplicates Z: 28 27.215 1.968 0.453 0.791 1.000 0.852 CB 1.419 28 residues pruned to eliminate duplicates Z: 41 28.474 1.935 0.495 0.678 0.950 0.550 CA 1.390 41 residues pruned to eliminate duplicates Z: 28 15.782 1.850 0.448 0.555 0.778 0.407 CB 1.382 28 residues pruned to eliminate duplicates Z: 45 26.717 1.987 0.398 0.642 0.909 0.705 CB 1.396 45 residues pruned to eliminate duplicates Z: 45 31.662 1.992 0.477 0.731 0.955 0.705 CB 1.380 45 residues pruned to eliminate duplicates Z: 34 26.285 1.955 0.563 0.668 0.939 0.697 CB 1.365 34 residues pruned to eliminate duplicates Z: 45 31.501 1.998 0.581 0.724 0.932 0.705 CB 1.318 45 residues pruned to eliminate duplicates Z: 44 30.734 1.969 0.610 0.724 0.907 0.674 CB 1.331 44 residues pruned to eliminate duplicates Z: 75 39.240 1.942 0.547 0.709 0.919 0.757 CB 1.367 75 residues pruned to eliminate duplicates Z: 34 27.448 1.908 0.498 0.682 0.970 0.545 CA 1.459 34 residues pruned to eliminate duplicates Z: 36 31.213 1.935 0.658 0.694 0.971 0.714 CB 1.417 36 residues pruned to eliminate duplicates Z: 37 33.490 2.010 0.670 0.717 0.944 0.667 CB 1.447 37 residues pruned to eliminate duplicates Z: 36 30.107 1.969 0.604 0.701 0.943 0.714 CB 1.423 36 residues pruned to eliminate duplicates Z: 51 28.551 1.944 0.572 0.637 0.920 0.600 CB 1.264 51 residues pruned to eliminate duplicates Z: 33 33.257 1.987 0.605 0.744 0.938 0.656 CB 1.580 33 residues pruned to eliminate duplicates 133 residues left after pruning, divided into chains as follows: A: 59 B: 19 C: 55 CC for partial structure against native data = 37.85 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 3 used as input for final density modification = 0.300, Contrast = 0.470, Connect. = 0.681 for dens.mod. cycle 1 = 0.306, Contrast = 0.544, Connect. = 0.708 for dens.mod. cycle 2 = 0.306, Contrast = 0.667, Connect. = 0.743 for dens.mod. cycle 3 = 0.306, Contrast = 0.677, Connect. = 0.745 for dens.mod. cycle 4 = 0.306, Contrast = 0.690, Connect. = 0.747 for dens.mod. cycle 5 = 0.306, Contrast = 0.692, Connect. = 0.748 for dens.mod. cycle 6 = 0.306, Contrast = 0.697, Connect. = 0.750 for dens.mod. cycle 7 = 0.306, Contrast = 0.697, Connect. = 0.751 for dens.mod. cycle 8 = 0.306, Contrast = 0.699, Connect. = 0.752 for dens.mod. cycle 9 TimeTaking 40.83