Sun Nov 28 16:28:10 IST 1999 Hello dfischer@cs.bgu.ac.il 4:28pm up 3:08, 14 users, load average: 0.06, 0.09, 0.07 REMARK FINDING THE BEST SUBSET BETWEEN PDB FILES /usr/tmp/pred AND /usr/tmp/expe REMARK Read /usr/tmp/pred from residue 79A to residue 125V, total: 47 C-alphas REMARK Read /usr/tmp/expe from residue 70Q to residue 138K, total: 69 C-alphas REMARK CHECKING ALL CA-ATOMS IN /usr/tmp/pred APPEAR ALSO IN /usr/tmp/expe WARNING: 79 A RESIDUE NOT FOUND IN /usr/tmp/expe REMARK TOTAL PAIRS: 46 REMARK THE EXPERIMENTAL STRUCTURE TRANSFORMED TO SUPERIMPOSE ALL THE PAIRS REMARK HAS 46 AT RMS 3.109. REMARK YOUR GOOD MODEL COORDINATES REMARK (distances are shown after the x,y,z coordinates) ATOM 1 CA THR 80 3.459 1.204 -5.375 2.3 0.00 1 ATOM 2 CA ALA 81 1.450 -1.615 -7.160 0.9 0.00 1 ATOM 3 CA GLN 82 -1.623 -3.419 -8.653 0.8 0.00 1 ATOM 4 CA ILE 83 -4.204 -4.574 -5.958 0.5 0.00 1 ATOM 5 CA LEU 84 -4.215 -8.504 -6.380 0.9 0.00 1 ATOM 6 CA SER 85 -6.365 -9.103 -3.186 1.2 0.00 1 ATOM 7 CA VAL 86 -8.530 -6.671 -1.073 1.1 0.00 1 ATOM 8 CA SER 87 -7.516 -8.345 2.253 3.2 0.00 1 ATOM 9 CA GLY 88 -9.610 -8.613 5.727 3.4 0.00 1 ATOM 10 CA ASP 89 -11.279 -5.136 6.404 3.0 0.00 1 ATOM 12 CA ILE 91 -6.242 -4.008 2.724 2.1 0.00 1 ATOM 13 CA GLN 92 -4.267 -4.790 -0.550 3.1 0.00 1 ATOM 14 CA LEU 93 -2.153 -7.954 -1.361 3.2 0.00 1 ATOM 15 CA MET 94 -0.234 -5.916 -3.978 2.7 0.00 1 ATOM 16 CA ASP 95 2.141 -6.856 -6.851 3.8 0.00 1 ATOM 17 CA MET 96 4.761 -4.021 -6.656 3.1 0.00 1 ATOM 18 CA ARG 97 6.562 -1.964 -9.392 1.9 0.00 1 ATOM 19 CA ASP 98 9.683 -4.101 -8.354 1.8 0.00 1 ATOM 20 CA TYR 99 7.783 -7.431 -9.330 1.8 0.00 1 ATOM 21 CA LYS 100 7.258 -8.869 -5.727 1.2 0.00 1 ATOM 22 CA THR 101 3.980 -9.519 -3.695 1.1 0.00 1 ATOM 23 CA ILE 102 3.499 -7.243 -0.579 1.0 0.00 1 ATOM 24 CA GLU 103 0.800 -6.951 2.202 0.9 0.00 1 ATOM 25 CA VAL 104 -0.523 -3.306 2.524 1.8 0.00 1 ATOM 26 CA PRO 105 -3.204 -1.079 4.165 3.8 0.00 1 ATOM 31 CA GLU 110 -8.919 8.925 3.856 3.4 0.00 1 ATOM 32 CA GLU 111 -10.730 5.574 4.753 1.8 0.00 1 ATOM 36 CA GLY 115 -11.959 6.803 -1.359 3.8 0.00 1 ATOM 37 CA ARG 116 -13.094 3.310 -2.507 1.8 0.00 1 ATOM 38 CA LEU 117 -10.997 0.670 -4.282 1.6 0.00 1 ATOM 39 CA ALA 118 -11.391 -3.024 -5.386 0.4 0.00 1 ATOM 40 CA PRO 119 -9.328 -6.110 -6.611 0.7 0.00 1 ATOM 41 CA GLY 120 -7.279 -4.467 -9.466 0.7 0.00 1 ATOM 42 CA ALA 121 -7.150 -0.670 -8.716 0.5 0.00 1 ATOM 43 CA GLU 122 -4.289 1.932 -8.838 1.3 0.00 1 ATOM 44 CA VAL 123 -2.988 1.841 -5.270 1.0 0.00 1 ATOM 45 CA GLU 124 -0.025 3.660 -3.630 1.8 0.00 1 ATOM 46 CA VAL 125 2.097 1.403 -1.333 2.2 0.00 1 TER REMARK HAS 38 AT RMS 2.153. 3 GAPS AND GL SCORE OF 29.198 REMARK RMS AFTER SUPERPOSITION OF BEST SUBSET 2.15 for 38 PAIRS REMARK YOUR MODEL COORDINATES; TOTAL: 46 ATOM 1 CA THR 80 3.459 1.204 -5.375 2.3 0.00 1 ATOM 2 CA ALA 81 1.450 -1.615 -7.160 0.9 0.00 1 ATOM 3 CA GLN 82 -1.623 -3.419 -8.653 0.8 0.00 1 ATOM 4 CA ILE 83 -4.204 -4.574 -5.958 0.5 0.00 1 ATOM 5 CA LEU 84 -4.215 -8.504 -6.380 0.9 0.00 1 ATOM 6 CA SER 85 -6.365 -9.103 -3.186 1.2 0.00 1 ATOM 7 CA VAL 86 -8.530 -6.671 -1.073 1.1 0.00 1 ATOM 8 CA SER 87 -7.516 -8.345 2.253 3.2 0.00 1 ATOM 9 CA GLY 88 -9.610 -8.613 5.727 3.4 0.00 1 ATOM 10 CA ASP 89 -11.279 -5.136 6.404 3.0 0.00 1 ATOM 11 CA VAL 90 -9.941 -3.041 3.399 5.4 0.00 1 ATOM 12 CA ILE 91 -6.242 -4.008 2.724 2.1 0.00 1 ATOM 13 CA GLN 92 -4.267 -4.790 -0.550 3.1 0.00 1 ATOM 14 CA LEU 93 -2.153 -7.954 -1.361 3.2 0.00 1 ATOM 15 CA MET 94 -0.234 -5.916 -3.978 2.7 0.00 1 ATOM 16 CA ASP 95 2.141 -6.856 -6.851 3.8 0.00 1 ATOM 17 CA MET 96 4.761 -4.021 -6.656 3.1 0.00 1 ATOM 18 CA ARG 97 6.562 -1.964 -9.392 1.9 0.00 1 ATOM 19 CA ASP 98 9.683 -4.101 -8.354 1.8 0.00 1 ATOM 20 CA TYR 99 7.783 -7.431 -9.330 1.8 0.00 1 ATOM 21 CA LYS 100 7.258 -8.869 -5.727 1.2 0.00 1 ATOM 22 CA THR 101 3.980 -9.519 -3.695 1.1 0.00 1 ATOM 23 CA ILE 102 3.499 -7.243 -0.579 1.0 0.00 1 ATOM 24 CA GLU 103 0.800 -6.951 2.202 0.9 0.00 1 ATOM 25 CA VAL 104 -0.523 -3.306 2.524 1.8 0.00 1 ATOM 26 CA PRO 105 -3.204 -1.079 4.165 3.8 0.00 1 ATOM 27 CA MET 106 -4.308 2.394 3.041 5.9 0.00 1 ATOM 28 CA LYS 107 -3.112 5.452 5.237 6.8 0.00 1 ATOM 29 CA TYR 108 -5.986 5.495 7.915 4.5 0.00 1 ATOM 30 CA VAL 109 -7.066 9.148 7.280 7.0 0.00 1 ATOM 31 CA GLU 110 -8.919 8.925 3.856 3.4 0.00 1 ATOM 32 CA GLU 111 -10.730 5.574 4.753 1.8 0.00 1 ATOM 33 CA GLU 112 -13.701 7.649 6.150 5.9 0.00 1 ATOM 34 CA ALA 113 -13.968 10.175 3.331 7.6 0.00 1 ATOM 35 CA LYS 114 -14.189 6.606 1.721 4.7 0.00 1 ATOM 36 CA GLY 115 -11.959 6.803 -1.359 3.8 0.00 1 ATOM 37 CA ARG 116 -13.094 3.310 -2.507 1.8 0.00 1 ATOM 38 CA LEU 117 -10.997 0.670 -4.282 1.6 0.00 1 ATOM 39 CA ALA 118 -11.391 -3.024 -5.386 0.4 0.00 1 ATOM 40 CA PRO 119 -9.328 -6.110 -6.611 0.7 0.00 1 ATOM 41 CA GLY 120 -7.279 -4.467 -9.466 0.7 0.00 1 ATOM 42 CA ALA 121 -7.150 -0.670 -8.716 0.5 0.00 1 ATOM 43 CA GLU 122 -4.289 1.932 -8.838 1.3 0.00 1 ATOM 44 CA VAL 123 -2.988 1.841 -5.270 1.0 0.00 1 ATOM 45 CA GLU 124 -0.025 3.660 -3.630 1.8 0.00 1 ATOM 46 CA VAL 125 2.097 1.403 -1.333 2.2 0.00 1 TER REMARK HAS 46 AT RMS 3.198. 0 GAPS AND GL SCORE OF 33.259 REMARK RMS FOR ALL PAIRS (SAME TRANSFORMATION) 3.20 for 46 PAIRS GENERATING CA ATOMS WITH BEST TRANSFORMATION FOR NATIVE ATOM 0 CA GLN 70 17.390 19.305 15.156 1.0 0.00 1 ATOM 1 CA VAL 71 14.210 17.361 14.465 1.0 0.00 1 ATOM 2 CA GLU 72 14.117 13.995 12.706 1.0 0.00 1 ATOM 3 CA VAL 73 12.441 13.803 9.304 1.0 0.00 1 ATOM 4 CA PRO 74 11.215 10.414 8.029 1.0 0.00 1 ATOM 5 CA ILE 75 12.402 9.034 4.701 1.0 0.00 1 ATOM 6 CA ILE 76 9.311 8.410 2.584 1.0 0.00 1 ATOM 7 CA GLU 77 9.549 6.142 -0.458 1.0 0.00 1 ATOM 8 CA LYS 78 6.616 6.451 -2.863 1.0 0.00 1 ATOM 9 CA PHE 79 5.648 3.773 -5.379 1.0 0.00 1 ATOM 10 CA THR 80 2.751 2.244 -7.303 1.0 0.00 1 ATOM 11 CA ALA 81 1.087 -1.082 -6.540 1.0 0.00 1 ATOM 12 CA GLN 82 -1.851 -3.063 -7.935 1.0 0.00 1 ATOM 13 CA ILE 83 -4.571 -4.390 -5.640 1.0 0.00 1 ATOM 14 CA LEU 84 -4.737 -8.203 -5.725 1.0 0.00 1 ATOM 15 CA SER 85 -7.462 -8.687 -3.094 1.0 0.00 1 ATOM 16 CA VAL 86 -9.348 -6.820 -0.388 1.0 0.00 1 ATOM 17 CA SER 87 -10.660 -8.242 2.887 1.0 0.00 1 ATOM 18 CA GLY 88 -12.155 -6.333 5.785 1.0 0.00 1 ATOM 19 CA ASP 89 -8.745 -6.319 7.473 1.0 0.00 1 ATOM 20 CA VAL 90 -6.038 -6.549 4.821 1.0 0.00 1 ATOM 21 CA ILE 91 -5.273 -5.234 1.349 1.0 0.00 1 ATOM 22 CA GLN 92 -3.064 -7.611 -0.676 1.0 0.00 1 ATOM 23 CA LEU 93 -0.906 -5.694 -3.187 1.0 0.00 1 ATOM 24 CA MET 94 1.510 -6.412 -6.034 1.0 0.00 1 ATOM 25 CA ASP 95 4.475 -4.003 -5.934 1.0 0.00 1 ATOM 26 CA MET 96 4.713 -2.850 -9.570 1.0 0.00 1 ATOM 27 CA ARG 97 8.458 -2.292 -9.197 1.0 0.00 1 ATOM 28 CA ASP 98 9.491 -5.888 -8.480 1.0 0.00 1 ATOM 29 CA TYR 99 6.100 -7.640 -8.593 1.0 0.00 1 ATOM 30 CA LYS 100 6.360 -8.909 -5.006 1.0 0.00 1 ATOM 31 CA THR 101 3.272 -9.280 -2.823 1.0 0.00 1 ATOM 32 CA ILE 102 2.870 -6.918 0.128 1.0 0.00 1 ATOM 33 CA GLU 103 0.091 -6.937 2.721 1.0 0.00 1 ATOM 34 CA VAL 104 -1.221 -3.652 4.121 1.0 0.00 1 ATOM 35 CA PRO 105 -3.593 -3.442 7.121 1.0 0.00 1 ATOM 36 CA MET 106 -6.929 -1.730 6.388 1.0 0.00 1 ATOM 37 CA LYS 107 -6.122 0.749 9.167 1.0 0.00 1 ATOM 38 CA TYR 108 -3.211 2.033 7.057 1.0 0.00 1 ATOM 39 CA VAL 109 -5.425 3.132 4.173 1.0 0.00 1 ATOM 40 CA GLU 110 -6.267 6.834 3.847 1.0 0.00 1 ATOM 41 CA GLU 111 -9.979 7.190 4.628 1.0 0.00 1 ATOM 42 CA GLU 112 -10.662 8.827 1.273 1.0 0.00 1 ATOM 43 CA ALA 113 -9.163 5.871 -0.604 1.0 0.00 1 ATOM 44 CA LYS 114 -11.031 3.114 1.238 1.0 0.00 1 ATOM 45 CA GLY 115 -14.122 3.757 -0.861 1.0 0.00 1 ATOM 46 CA ARG 116 -12.449 2.881 -4.158 1.0 0.00 1 ATOM 47 CA LEU 117 -10.426 -0.133 -3.037 1.0 0.00 1 ATOM 48 CA ALA 118 -11.066 -2.870 -5.590 1.0 0.00 1 ATOM 49 CA PRO 119 -9.068 -5.733 -7.109 1.0 0.00 1 ATOM 50 CA GLY 120 -7.213 -4.538 -10.197 1.0 0.00 1 ATOM 51 CA ALA 121 -7.013 -0.883 -9.187 1.0 0.00 1 ATOM 52 CA GLU 122 -3.618 0.790 -8.882 1.0 0.00 1 ATOM 53 CA VAL 123 -2.733 2.718 -5.746 1.0 0.00 1 ATOM 54 CA GLU 124 -0.075 5.145 -4.558 1.0 0.00 1 ATOM 55 CA VAL 125 1.792 3.564 -1.655 1.0 0.00 1 ATOM 56 CA TRP 126 4.171 5.134 0.855 1.0 0.00 1 ATOM 57 CA GLN 127 6.778 3.147 2.728 1.0 0.00 1 ATOM 58 CA ILE 128 8.366 4.435 5.924 1.0 0.00 1 ATOM 59 CA LEU 129 10.786 1.960 7.475 1.0 0.00 1 ATOM 60 CA ASP 130 8.936 -1.374 7.679 1.0 0.00 1 ATOM 61 CA ARG 131 5.407 -0.005 7.315 1.0 0.00 1 ATOM 62 CA TYR 132 3.255 0.891 4.324 1.0 0.00 1 ATOM 63 CA LYS 133 0.361 3.263 3.833 1.0 0.00 1 ATOM 64 CA ILE 134 -2.061 3.321 0.919 1.0 0.00 1 ATOM 65 CA ILE 135 -2.523 6.984 0.004 1.0 0.00 1 ATOM 66 CA ARG 136 -4.999 6.938 -2.878 1.0 0.00 1 ATOM 67 CA VAL 137 -6.413 4.923 -5.760 1.0 0.00 1 ATOM 68 CA LYS 138 -4.672 5.307 -9.157 1.0 0.00 1 TER REMARK BYE Bye dfischer@cs.bgu.ac.il