 |
| home | start a new run | job status | references&downloads | examples | help |
Should you encounter any unexpected behaviour,
|
*** ***elNémo ID: 230412125444109937Job options:ID = 230412125444109937 JOBID = USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = -1 CUTOFF = 10 CAONLY = 0 Input data for this run:CRYST1 71.600 75.000 55.000 90.00 90.00 90.00 P 1 1 ATOM 1 CA GLY A 5 14.005 43.982 34.362 1.00 35.00 C ATOM 2 CA ILE A 6 10.768 45.892 33.622 1.00 19.40 C ATOM 3 CA ARG A 7 10.304 47.186 29.969 1.00 16.10 C ATOM 4 CA ALA A 8 7.533 48.130 27.746 1.00 19.50 C ATOM 5 CA ALA A 9 6.182 45.643 25.184 1.00 15.10 C ATOM 6 CA THR A 10 6.626 46.583 21.472 1.00 20.30 C ATOM 7 CA SER A 11 3.983 47.004 18.905 1.00 29.00 C ATOM 8 CA GLN A 12 4.892 43.724 17.382 1.00 17.90 C ATOM 9 CA GLU A 13 4.753 41.951 20.761 1.00 14.50 C ATOM 10 CA ILE A 14 1.179 43.401 21.393 1.00 15.90 C ATOM 11 CA ASN A 15 0.102 42.238 17.903 1.00 14.10 C ATOM 12 CA GLU A 16 1.267 38.659 18.652 1.00 19.80 C ATOM 13 CA LEU A 17 -0.309 38.498 22.087 1.00 9.60 C ATOM 14 CA THR A 18 -3.730 39.814 20.612 1.00 9.90 C ATOM 15 CA TYR A 19 -3.526 37.044 17.931 1.00 10.10 C ATOM 16 CA TYR A 20 -3.246 34.311 20.677 1.00 7.70 C ATOM 17 CA THR A 21 -5.897 36.040 22.865 1.00 4.90 C ATOM 18 CA THR A 22 -8.277 35.816 19.735 1.00 6.40 C ATOM 19 CA LEU A 23 -7.679 32.056 19.267 1.00 17.60 C ATOM 20 CA SER A 24 -8.401 31.667 23.035 1.00 16.70 C ATOM 21 CA ALA A 25 -11.549 33.849 22.861 1.00 10.70 C ATOM 22 CA ASN A 26 -12.800 31.993 19.785 1.00 6.90 C ATOM 23 CA SER A 27 -12.639 28.654 21.515 1.00 4.90 C ATOM 24 CA TYR A 28 -15.588 29.583 23.800 1.00 12.50 C ATOM 25 CA CYS A 29 -17.912 29.588 20.640 1.00 9.80 C ATOM 26 CA ARG A 30 -19.882 26.401 20.398 1.00 9.80 C ATOM 27 CA THR A 31 -19.480 26.540 16.526 1.00 9.90 C ATOM 28 CA VAL A 32 -15.721 26.451 16.939 1.00 11.20 C ATOM 29 CA ILE A 33 -15.611 23.648 19.716 1.00 10.70 C ATOM 30 CA PRO A 34 -17.253 21.335 19.122 1.00 17.60 C ATOM 31 CA GLY A 35 -18.658 22.728 15.857 1.00 7.90 C ATOM 32 CA ALA A 36 -15.265 22.584 14.300 1.00 12.00 C ATOM 33 CA THR A 37 -15.922 25.676 12.048 1.00 12.60 C ATOM 34 CA TRP A 38 -14.794 29.314 12.080 1.00 12.30 C ATOM 35 CA ASP A 39 -18.475 30.556 12.275 1.00 9.50 C ATOM 36 CA CYS A 40 -18.160 33.399 14.814 1.00 8.60 C ATOM 37 CA ILE A 41 -17.772 37.179 14.711 1.00 24.80 C ATOM 38 CA HIS A 42 -14.115 37.343 15.511 1.00 17.80 C ATOM 39 CA CYS A 43 -13.271 34.175 13.542 1.00 16.60 C ATOM 40 CA ASP A 44 -12.377 36.044 10.665 1.00 13.20 C ATOM 41 CA ALA A 45 -8.754 36.630 12.278 1.00 23.00 C ATOM 42 CA THR A 46 -8.080 32.809 12.282 1.00 16.90 C ATOM 43 CA GLU A 47 -10.305 31.579 9.580 1.00 20.90 C ATOM 44 CA ASP A 48 -7.455 30.454 7.333 1.00 16.20 C ATOM 45 CA LEU A 49 -6.345 27.782 9.837 1.00 14.90 C ATOM 46 CA LYS A 50 -7.254 24.257 9.100 1.00 12.10 C ATOM 47 CA ILE A 51 -9.129 22.771 12.134 1.00 17.60 C ATOM 48 CA ILE A 52 -7.622 19.263 12.539 1.00 12.00 C ATOM 49 CA LYS A 53 -9.741 18.180 15.464 1.00 16.50 C ATOM 50 CA THR A 54 -11.724 19.150 18.502 1.00 17.80 C ATOM 51 CA TRP A 55 -12.616 17.515 21.785 1.00 12.20 C ATOM 52 CA SER A 56 -15.332 18.238 24.551 1.00 18.40 C ATOM 53 CA THR A 57 -14.430 15.532 27.202 1.00 13.30 C ATOM 54 CA LEU A 58 -17.083 13.760 29.268 1.00 18.50 C ATOM 55 CA ILE A 59 -16.069 14.071 32.875 1.00 14.00 C ATOM 56 CA TYR A 60 -14.084 17.193 33.094 1.00 14.70 C ATOM 57 CA ASP A 61 -15.607 18.917 30.083 1.00 10.40 C ATOM 58 CA THR A 62 -12.054 19.731 28.649 1.00 11.70 C ATOM 59 CA ASN A 63 -12.677 21.676 25.312 1.00 3.20 C ATOM 60 CA ALA A 64 -9.740 21.903 23.069 1.00 6.40 C ATOM 61 CA MET A 65 -8.600 21.833 19.515 1.00 12.70 C ATOM 62 CA VAL A 66 -5.732 21.245 17.167 1.00 9.60 C ATOM 63 CA ALA A 67 -5.452 23.521 14.100 1.00 7.50 C ATOM 64 CA ARG A 68 -2.803 23.949 11.405 1.00 13.40 C ATOM 65 CA GLY A 69 -1.759 27.262 9.769 1.00 12.80 C ATOM 66 CA ASP A 70 0.254 26.528 6.573 1.00 14.40 C ATOM 67 CA SER A 71 1.028 30.112 5.623 1.00 21.80 C ATOM 68 CA GLU A 72 1.980 30.662 9.329 1.00 21.00 C ATOM 69 CA LYS A 73 3.884 27.332 9.415 1.00 20.60 C ATOM 70 CA THR A 74 2.443 26.744 12.919 1.00 8.90 C ATOM 71 CA ILE A 75 0.650 23.929 14.495 1.00 10.80 C ATOM 72 CA TYR A 76 -1.835 25.455 17.055 1.00 10.90 C ATOM 73 CA ILE A 77 -3.090 23.927 20.250 1.00 7.20 C ATOM 74 CA VAL A 78 -6.036 25.855 21.934 1.00 7.30 C ATOM 75 CA PHE A 79 -7.680 25.092 25.303 1.00 5.90 C ATOM 76 CA ARG A 80 -11.006 26.673 26.348 1.00 4.80 C ATOM 77 CA GLY A 81 -11.514 27.918 29.935 1.00 3.40 C ATOM 78 CA SER A 82 -14.841 27.059 31.814 1.00 12.10 C ATOM 79 CA SER A 83 -18.231 27.187 30.168 1.00 18.70 C ATOM 80 CA SER A 84 -19.582 29.035 33.392 1.00 16.20 C ATOM 81 CA ILE A 85 -16.636 31.225 34.368 1.00 16.20 C ATOM 82 CA ARG A 86 -18.270 33.316 37.056 1.00 24.40 C ATOM 83 CA ASN A 87 -19.134 30.197 38.775 1.00 20.70 C ATOM 84 CA TRP A 88 -15.768 28.613 38.049 1.00 21.70 C ATOM 85 CA ILE A 89 -14.110 31.537 39.813 1.00 19.30 C ATOM 86 CA ALA A 90 -16.487 31.646 42.774 1.00 20.20 C ATOM 87 CA ASP A 91 -15.879 27.897 43.405 1.00 25.90 C ATOM 88 CA LEU A 92 -12.185 27.272 42.625 1.00 27.50 C ATOM 89 CA THR A 93 -10.533 25.227 45.493 1.00 23.90 C ATOM 90 CA PHE A 94 -6.868 24.225 45.118 1.00 27.40 C ATOM 91 CA VAL A 95 -5.763 20.568 45.988 1.00 23.80 C ATOM 92 CA PRO A 96 -1.991 20.268 45.713 1.00 22.80 C ATOM 93 CA VAL A 97 -0.967 16.806 44.496 1.00 17.80 C ATOM 94 CA SER A 98 2.268 15.372 43.215 1.00 15.20 C ATOM 95 CA TYR A 99 3.066 16.229 39.596 1.00 8.50 C ATOM 96 CA PRO A 100 4.092 12.917 38.260 1.00 13.70 C ATOM 97 CA PRO A 101 6.833 13.589 35.721 1.00 12.10 C ATOM 98 CA VAL A 102 8.863 15.567 38.151 1.00 11.70 C ATOM 99 CA SER A 103 9.564 14.288 41.574 1.00 15.30 C ATOM 100 CA GLY A 104 9.460 16.974 44.313 1.00 18.30 C ATOM 101 CA THR A 105 6.844 19.224 42.526 1.00 12.80 C ATOM 102 CA LYS A 106 3.097 19.679 43.287 1.00 7.60 C ATOM 103 CA VAL A 107 0.291 21.003 40.900 1.00 6.70 C ATOM 104 CA HIS A 108 -3.441 21.588 41.620 1.00 11.10 C ATOM 105 CA LYS A 109 -5.188 18.217 41.111 1.00 10.20 C ATOM 106 CA GLY A 110 -8.052 19.668 39.220 1.00 6.20 C ATOM 107 CA PHE A 111 -5.766 21.052 36.282 1.00 12.00 C ATOM 108 CA LEU A 112 -4.015 17.607 35.995 1.00 11.80 C ATOM 109 CA ASP A 113 -7.431 15.828 35.859 1.00 14.20 C ATOM 110 CA SER A 114 -8.621 18.301 33.131 1.00 12.20 C ATOM 111 CA TYR A 115 -5.592 17.768 30.925 1.00 15.50 C ATOM 112 CA GLY A 116 -5.363 14.084 31.801 1.00 5.80 C ATOM 113 CA GLU A 117 -8.813 13.458 30.148 1.00 13.40 C ATOM 114 CA VAL A 118 -7.670 14.752 26.588 1.00 14.30 C ATOM 115 CA GLN A 119 -3.972 14.038 26.768 1.00 9.10 C ATOM 116 CA ASN A 120 -3.674 10.815 24.926 1.00 17.00 C ATOM 117 CA GLU A 121 -5.671 11.668 21.953 1.00 15.10 C ATOM 118 CA LEU A 122 -4.529 15.244 21.714 1.00 16.80 C ATOM 119 CA VAL A 123 -0.794 14.487 21.878 1.00 15.60 C ATOM 120 CA ALA A 124 -1.211 11.743 19.271 1.00 19.10 C ATOM 121 CA THR A 125 -2.943 14.202 16.867 1.00 17.50 C ATOM 122 CA VAL A 126 -0.177 16.848 17.459 1.00 15.00 C ATOM 123 CA LEU A 127 2.687 14.342 16.886 1.00 12.30 C ATOM 124 CA ASP A 128 0.958 13.118 13.767 1.00 9.60 C ATOM 125 CA GLN A 129 0.790 16.686 12.403 1.00 12.00 C ATOM 126 CA PHE A 130 4.284 17.482 13.547 1.00 10.10 C ATOM 127 CA LYS A 131 5.691 14.303 11.824 1.00 31.00 C ATOM 128 CA GLN A 132 4.028 15.559 8.621 1.00 15.30 C ATOM 129 CA TYR A 133 5.280 19.277 8.993 1.00 18.00 C ATOM 130 CA PRO A 134 8.511 19.033 11.026 1.00 20.20 C ATOM 131 CA SER A 135 9.520 22.454 9.934 1.00 27.40 C ATOM 132 CA TYR A 136 6.589 24.007 11.673 1.00 18.90 C ATOM 133 CA LYS A 137 6.474 25.577 15.024 1.00 13.10 C ATOM 134 CA VAL A 138 3.992 24.368 17.847 1.00 14.20 C ATOM 135 CA ALA A 139 2.074 27.133 19.662 1.00 9.30 C ATOM 136 CA VAL A 140 -0.147 26.421 22.758 1.00 19.00 C ATOM 137 CA THR A 141 -2.614 29.005 24.037 1.00 2.60 C ATOM 138 CA GLY A 142 -5.484 29.197 26.522 1.00 4.40 C ATOM 139 CA HIS A 143 -7.384 31.674 28.713 1.00 5.00 C ATOM 140 CA SER A 144 -8.383 31.158 32.432 1.00 11.90 C ATOM 141 CA LEU A 145 -8.724 27.380 33.123 1.00 7.60 C ATOM 142 CA GLY A 146 -7.607 26.858 29.494 1.00 4.10 C ATOM 143 CA GLY A 147 -4.226 28.658 30.418 1.00 5.10 C ATOM 144 CA ALA A 148 -3.577 26.105 33.185 1.00 9.20 C ATOM 145 CA THR A 149 -4.261 23.154 30.795 1.00 3.90 C ATOM 146 CA VAL A 150 -2.209 24.863 28.067 1.00 8.30 C ATOM 147 CA LEU A 151 0.777 24.944 30.401 1.00 6.20 C ATOM 148 CA LEU A 152 0.419 21.265 31.423 1.00 9.40 C ATOM 149 CA CYS A 153 0.044 20.357 27.671 1.00 4.00 C ATOM 150 CA ALA A 154 3.273 22.192 26.635 1.00 2.50 C ATOM 151 CA LEU A 155 5.300 20.471 29.419 1.00 5.90 C ATOM 152 CA ASP A 156 3.893 17.071 28.370 1.00 8.70 C ATOM 153 CA LEU A 157 4.905 17.736 24.764 1.00 6.10 C ATOM 154 CA TYR A 158 8.463 18.746 25.761 1.00 18.10 C ATOM 155 CA GLN A 159 8.794 15.726 28.091 1.00 13.80 C ATOM 156 CA ARG A 160 7.856 13.266 25.162 1.00 20.80 C ATOM 157 CA GLU A 161 11.304 14.562 23.641 1.00 49.00 C ATOM 158 CA GLU A 162 10.064 14.086 20.163 1.00 37.60 C ATOM 159 CA GLY A 163 11.696 16.901 18.363 1.00 27.90 C ATOM 160 CA LEU A 164 9.556 19.600 20.323 1.00 15.60 C ATOM 161 CA SER A 165 12.004 21.714 22.383 1.00 19.70 C ATOM 162 CA SER A 166 12.493 25.407 23.461 1.00 19.70 C ATOM 163 CA SER A 167 13.271 26.340 20.013 1.00 18.40 C ATOM 164 CA ASN A 168 9.988 25.424 18.236 1.00 10.70 C ATOM 165 CA LEU A 169 7.444 25.191 21.116 1.00 7.90 C ATOM 166 CA PHE A 170 5.704 28.445 22.393 1.00 11.20 C ATOM 167 CA LEU A 171 3.192 28.937 25.166 1.00 9.00 C ATOM 168 CA TYR A 172 0.864 31.912 25.492 1.00 5.10 C ATOM 169 CA THR A 173 -1.641 32.112 28.326 1.00 10.80 C ATOM 170 CA GLN A 174 -4.282 34.842 29.234 1.00 10.10 C ATOM 171 CA GLY A 175 -5.729 35.256 32.802 1.00 2.00 C ATOM 172 CA GLN A 176 -4.136 31.961 34.025 1.00 3.20 C ATOM 173 CA PRO A 177 -4.194 30.975 37.706 1.00 6.70 C ATOM 174 CA ARG A 178 -1.031 29.697 39.371 1.00 12.60 C ATOM 175 CA VAL A 179 -0.697 25.883 38.655 1.00 11.50 C ATOM 176 CA GLY A 180 2.034 24.566 41.047 1.00 11.50 C ATOM 177 CA ASP A 181 4.407 25.293 43.908 1.00 8.80 C ATOM 178 CA PRO A 182 7.802 26.899 43.739 1.00 10.80 C ATOM 179 CA ALA A 183 9.481 23.665 42.848 1.00 16.10 C ATOM 180 CA PHE A 184 7.176 23.088 39.912 1.00 7.40 C ATOM 181 CA ALA A 185 7.687 26.738 38.692 1.00 12.90 C ATOM 182 CA ASN A 186 11.508 26.168 38.725 1.00 7.60 C ATOM 183 CA TYR A 187 11.066 23.137 36.719 1.00 2.00 C ATOM 184 CA VAL A 188 9.059 25.072 34.066 1.00 2.00 C ATOM 185 CA VAL A 189 11.785 27.734 33.848 1.00 12.30 C ATOM 186 CA SER A 190 14.405 24.838 33.427 1.00 16.20 C ATOM 187 CA THR A 191 12.739 23.779 30.096 1.00 6.10 C ATOM 188 CA GLY A 192 13.575 27.052 28.499 1.00 5.30 C ATOM 189 CA ILE A 193 10.191 27.113 26.661 1.00 7.40 C ATOM 190 CA PRO A 194 9.273 30.706 25.539 1.00 10.60 C ATOM 191 CA TYR A 195 6.202 31.385 27.888 1.00 9.80 C ATOM 192 CA ARG A 196 4.268 34.699 27.643 1.00 5.80 C ATOM 193 CA ARG A 197 1.907 34.995 30.594 1.00 8.60 C ATOM 194 CA THR A 198 -0.563 37.847 29.802 1.00 8.70 C ATOM 195 CA VAL A 199 -2.479 39.556 32.736 1.00 6.20 C ATOM 196 CA ASN A 200 -5.219 42.203 31.964 1.00 5.10 C ATOM 197 CA GLU A 201 -4.972 44.890 34.601 1.00 6.70 C ATOM 198 CA ARG A 202 -6.546 43.918 37.907 1.00 14.20 C ATOM 199 CA ASP A 203 -7.771 40.472 36.752 1.00 5.50 C ATOM 200 CA ILE A 204 -8.085 38.426 39.879 1.00 6.60 C ATOM 201 CA VAL A 205 -7.419 34.910 38.299 1.00 8.40 C ATOM 202 CA PRO A 206 -3.576 35.264 37.942 1.00 6.10 C ATOM 203 CA HIS A 207 -3.600 35.997 41.762 1.00 8.90 C ATOM 204 CA LEU A 208 -5.346 32.729 42.653 1.00 4.90 C ATOM 205 CA PRO A 209 -4.624 30.787 44.877 1.00 17.60 C ATOM 206 CA PRO A 210 -3.606 33.438 47.325 1.00 23.00 C ATOM 207 CA ALA A 211 0.090 34.073 47.522 1.00 40.10 C ATOM 208 CA ALA A 212 -0.163 32.749 50.999 1.00 34.60 C ATOM 209 CA PHE A 213 -1.104 29.172 49.887 1.00 15.90 C ATOM 210 CA GLY A 214 2.239 28.318 48.442 1.00 19.80 C ATOM 211 CA PHE A 215 1.871 28.331 44.649 1.00 5.90 C ATOM 212 CA LEU A 216 4.084 30.478 42.254 1.00 12.10 C ATOM 213 CA HIS A 217 3.994 31.459 38.717 1.00 8.90 C ATOM 214 CA ALA A 218 6.694 30.808 36.011 1.00 6.40 C ATOM 215 CA GLY A 219 6.513 32.578 32.588 1.00 10.60 C ATOM 216 CA GLU A 220 7.498 36.235 31.643 1.00 10.50 C ATOM 217 CA GLU A 221 4.621 38.490 32.779 1.00 9.70 C ATOM 218 CA TYR A 222 3.068 40.852 30.014 1.00 5.40 C ATOM 219 CA TRP A 223 0.767 43.112 32.134 1.00 3.10 C ATOM 220 CA ILE A 224 -1.888 45.253 30.198 1.00 12.70 C ATOM 221 CA THR A 225 -1.872 48.386 32.324 1.00 9.40 C ATOM 222 CA ASP A 226 -4.099 50.400 29.922 1.00 18.20 C ATOM 223 CA ASN A 227 -6.355 49.912 27.051 1.00 23.50 C ATOM 224 CA SER A 228 -6.383 53.159 25.151 1.00 50.10 C ATOM 225 CA PRO A 229 -3.831 53.302 23.841 1.00 29.00 C ATOM 226 CA GLU A 230 -3.098 49.761 24.687 1.00 26.40 C ATOM 227 CA THR A 231 -0.176 49.688 27.105 1.00 14.10 C ATOM 228 CA VAL A 232 1.814 46.585 28.291 1.00 14.90 C ATOM 229 CA GLN A 233 4.605 46.325 30.994 1.00 12.30 C ATOM 230 CA VAL A 234 6.784 43.331 30.783 1.00 13.70 C ATOM 231 CA CYS A 235 8.541 41.897 33.868 1.00 7.40 C ATOM 232 CA THR A 236 11.205 39.847 32.054 1.00 11.20 C ATOM 233 CA SER A 237 11.880 37.539 34.975 1.00 13.10 C ATOM 234 CA ASP A 238 10.835 33.849 34.224 1.00 12.60 C ATOM 235 CA LEU A 239 9.582 33.524 37.866 1.00 11.40 C ATOM 236 CA GLU A 240 6.851 35.610 39.417 1.00 18.80 C ATOM 237 CA THR A 241 7.813 39.178 40.574 1.00 16.70 C ATOM 238 CA SER A 242 6.109 41.854 42.651 1.00 22.00 C ATOM 239 CA ASP A 243 6.612 44.370 39.964 1.00 17.90 C ATOM 240 CA CYS A 244 3.825 43.747 37.449 1.00 11.70 C ATOM 241 CA SER A 245 0.290 42.776 38.388 1.00 9.20 C ATOM 242 CA ASN A 246 1.081 41.619 41.856 1.00 8.50 C ATOM 243 CA SER A 247 1.517 45.342 42.605 1.00 16.70 C ATOM 244 CA ILE A 248 -2.297 45.927 42.762 1.00 15.20 C ATOM 245 CA VAL A 249 -3.145 43.158 45.116 1.00 10.00 C ATOM 246 CA PRO A 250 -5.564 42.860 46.931 1.00 12.00 C ATOM 247 CA PHE A 251 -7.570 45.294 44.848 1.00 7.90 C ATOM 248 CA THR A 252 -8.526 42.938 42.046 1.00 16.70 C ATOM 249 CA SER A 253 -11.294 42.739 39.512 1.00 11.40 C ATOM 250 CA VAL A 254 -13.488 39.974 38.306 1.00 9.10 C ATOM 251 CA LEU A 255 -14.580 41.866 35.097 1.00 3.30 C ATOM 252 CA ASP A 256 -10.916 42.410 33.944 1.00 7.20 C ATOM 253 CA HIS A 257 -10.815 38.624 33.454 1.00 5.20 C ATOM 254 CA LEU A 258 -13.483 38.770 30.792 1.00 4.90 C ATOM 255 CA SER A 259 -11.810 41.080 28.278 1.00 20.50 C ATOM 256 CA TYR A 260 -8.159 40.977 26.969 1.00 10.40 C ATOM 257 CA PHE A 261 -7.091 43.543 24.411 1.00 9.60 C ATOM 258 CA GLY A 262 -10.545 44.566 23.920 1.00 19.00 C ATOM 259 CA ILE A 263 -11.755 40.898 23.193 1.00 13.40 C ATOM 260 CA ASN A 264 -14.500 39.350 25.208 1.00 13.40 C ATOM 261 CA THR A 265 -12.684 36.183 26.635 1.00 9.60 C ATOM 262 CA GLY A 266 -15.226 33.788 28.136 1.00 8.70 C ATOM 263 CA LEU A 267 -18.543 34.659 26.318 1.00 21.30 C ATOM 264 CA CYS A 268 -17.747 34.580 22.675 1.00 29.00 C ATOM 265 CA THR A 269 -19.344 37.960 22.678 1.00 50.80 C END If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand. |