 |
| home | start a new run | job status | references&downloads | examples | help |
Should you encounter any unexpected behaviour,
|
*** ***elNémo ID: 230409111527101892Job options:ID = 230409111527101892 JOBID = USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = -1 CUTOFF = 0 CAONLY = 0 Input data for this run:CRYST1 36.250 78.520 102.180 90.00 90.00 90.00 P 1 1 ATOM 1 CA ALA A 1 16.538 89.143 48.164 1.00 53.06 C ATOM 2 CA LEU A 2 19.128 86.720 46.781 1.00 49.38 C ATOM 3 CA PRO A 3 22.331 86.237 48.900 1.00 45.78 C ATOM 4 CA GLN A 4 25.240 88.283 47.531 1.00 46.45 C ATOM 5 CA THR A 5 27.329 85.159 47.769 1.00 40.11 C ATOM 6 CA VAL A 6 25.631 81.739 48.242 1.00 29.27 C ATOM 7 CA ARG A 7 27.694 79.407 50.552 1.00 22.99 C ATOM 8 CA ILE A 8 26.992 75.834 49.546 1.00 22.87 C ATOM 9 CA GLY A 9 27.986 73.033 51.908 1.00 19.68 C ATOM 10 CA THR A 10 29.007 69.677 50.539 1.00 24.40 C ATOM 11 CA ASP A 11 30.636 66.544 51.948 1.00 24.50 C ATOM 12 CA THR A 12 33.646 65.863 49.689 1.00 27.66 C ATOM 13 CA THR A 13 34.021 62.181 50.371 1.00 26.54 C ATOM 14 CA TYR A 14 31.561 60.974 47.667 1.00 32.43 C ATOM 15 CA ALA A 15 32.984 60.558 44.199 1.00 28.02 C ATOM 16 CA PRO A 16 31.664 60.882 41.546 1.00 27.18 C ATOM 17 CA PHE A 17 29.373 63.524 43.090 1.00 23.93 C ATOM 18 CA SER A 18 31.658 65.498 45.437 1.00 24.18 C ATOM 19 CA SER A 19 35.381 64.983 46.000 1.00 28.24 C ATOM 20 CA LYS A 20 38.653 66.913 46.050 1.00 30.56 C ATOM 21 CA ASP A 21 41.296 66.550 43.452 1.00 33.49 C ATOM 22 CA ALA A 22 45.100 66.692 43.829 1.00 34.60 C ATOM 23 CA LYS A 23 44.976 70.518 43.839 1.00 39.55 C ATOM 24 CA GLY A 24 42.303 70.654 46.636 1.00 34.95 C ATOM 25 CA GLU A 25 39.609 71.837 44.090 1.00 31.38 C ATOM 26 CA PHE A 26 36.088 70.426 44.604 1.00 25.24 C ATOM 27 CA ILE A 27 35.214 68.189 41.669 1.00 22.54 C ATOM 28 CA GLY A 28 32.252 65.998 40.757 1.00 23.44 C ATOM 29 CA PHE A 29 28.781 65.976 39.305 1.00 23.61 C ATOM 30 CA ASP A 30 27.150 67.897 42.218 1.00 19.33 C ATOM 31 CA ILE A 31 29.899 70.506 41.870 1.00 23.29 C ATOM 32 CA ASP A 32 29.319 70.809 38.115 1.00 23.95 C ATOM 33 CA LEU A 33 25.558 71.101 38.551 1.00 24.21 C ATOM 34 CA GLY A 34 26.109 73.610 41.407 1.00 22.57 C ATOM 35 CA ASN A 35 28.528 75.827 39.521 1.00 23.24 C ATOM 36 CA GLU A 36 26.442 75.868 36.374 1.00 26.49 C ATOM 37 CA MET A 37 23.272 76.837 38.313 1.00 25.46 C ATOM 38 CA CYS A 38 25.206 79.706 40.069 1.00 27.94 C ATOM 39 CA LYS A 39 26.331 80.857 36.636 1.00 32.46 C ATOM 40 CA ARG A 40 22.763 81.018 35.294 1.00 32.21 C ATOM 41 CA MET A 41 21.514 82.568 38.581 1.00 30.91 C ATOM 42 CA GLN A 42 24.266 85.147 38.243 1.00 34.53 C ATOM 43 CA VAL A 43 25.443 84.941 41.881 1.00 35.59 C ATOM 44 CA LYS A 44 28.802 84.119 43.466 1.00 33.40 C ATOM 45 CA CYS A 45 28.752 80.693 45.173 1.00 32.20 C ATOM 46 CA THR A 46 31.371 79.414 47.530 1.00 29.49 C ATOM 47 CA TRP A 47 31.830 75.738 48.390 1.00 26.78 C ATOM 48 CA VAL A 48 32.252 74.839 52.024 1.00 25.37 C ATOM 49 CA ALA A 49 33.462 71.313 52.821 1.00 27.12 C ATOM 50 CA SER A 50 31.607 69.772 55.670 1.00 31.54 C ATOM 51 CA ASP A 51 30.715 66.478 57.187 1.00 34.29 C ATOM 52 CA PHE A 52 27.340 65.267 55.994 1.00 30.64 C ATOM 53 CA ASP A 53 25.769 65.153 59.431 1.00 38.09 C ATOM 54 CA ALA A 54 26.617 68.833 60.049 1.00 26.94 C ATOM 55 CA LEU A 55 25.061 70.051 56.828 1.00 24.52 C ATOM 56 CA ILE A 56 21.377 70.501 57.811 1.00 28.70 C ATOM 57 CA PRO A 57 22.522 71.978 61.256 1.00 29.99 C ATOM 58 CA SER A 58 24.753 74.406 59.407 1.00 26.97 C ATOM 59 CA LEU A 59 21.913 75.322 57.027 1.00 25.37 C ATOM 60 CA LYS A 60 19.447 75.962 59.815 1.00 25.85 C ATOM 61 CA ALA A 61 22.051 78.021 61.713 1.00 23.52 C ATOM 62 CA LYS A 62 22.742 80.061 58.519 1.00 24.30 C ATOM 63 CA LYS A 63 26.368 79.051 58.390 1.00 25.14 C ATOM 64 CA ILE A 64 25.676 77.996 54.763 1.00 21.04 C ATOM 65 CA ASP A 65 22.825 78.917 52.341 1.00 21.61 C ATOM 66 CA ALA A 66 22.389 75.657 50.400 1.00 22.68 C ATOM 67 CA ILE A 67 23.368 72.025 50.594 1.00 21.07 C ATOM 68 CA ILE A 68 24.363 70.166 47.397 1.00 21.28 C ATOM 69 CA SER A 69 25.654 66.856 48.595 1.00 22.46 C ATOM 70 CA SER A 70 23.502 64.044 47.042 1.00 21.21 C ATOM 71 CA LEU A 71 20.885 64.897 49.641 1.00 23.19 C ATOM 72 CA SER A 72 17.759 62.866 48.880 1.00 25.12 C ATOM 73 CA ILE A 73 14.379 64.443 49.109 1.00 26.87 C ATOM 74 CA THR A 74 12.768 62.420 51.844 1.00 32.96 C ATOM 75 CA ASP A 75 9.543 63.218 53.650 1.00 44.06 C ATOM 76 CA LYS A 76 11.371 63.507 56.979 1.00 43.86 C ATOM 77 CA ARG A 77 13.774 66.173 55.610 1.00 36.26 C ATOM 78 CA GLN A 78 10.871 68.034 53.935 1.00 36.70 C ATOM 79 CA GLN A 79 9.513 68.433 57.466 1.00 44.98 C ATOM 80 CA GLU A 80 12.676 70.477 58.206 1.00 41.83 C ATOM 81 CA ILE A 81 14.023 72.128 55.022 1.00 29.05 C ATOM 82 CA ALA A 82 13.005 72.937 51.490 1.00 24.57 C ATOM 83 CA PHE A 83 14.447 71.349 48.289 1.00 24.86 C ATOM 84 CA SER A 84 14.947 72.497 44.724 1.00 23.81 C ATOM 85 CA ASP A 85 13.542 70.363 41.969 1.00 23.67 C ATOM 86 CA LYS A 86 15.339 66.998 41.605 1.00 26.19 C ATOM 87 CA LEU A 87 18.941 67.083 40.400 1.00 25.00 C ATOM 88 CA TYR A 88 19.147 63.299 39.676 1.00 25.06 C ATOM 89 CA ALA A 89 17.698 60.071 41.006 1.00 24.18 C ATOM 90 CA ALA A 90 19.018 58.039 43.963 1.00 25.10 C ATOM 91 CA ASP A 91 17.301 54.647 43.457 1.00 22.36 C ATOM 92 CA SER A 92 18.347 51.100 44.224 1.00 24.17 C ATOM 93 CA ARG A 93 18.621 48.166 41.806 1.00 20.46 C ATOM 94 CA LEU A 94 19.280 44.424 41.926 1.00 25.34 C ATOM 95 CA ILE A 95 22.687 43.087 40.857 1.00 27.75 C ATOM 96 CA ALA A 96 22.938 39.461 39.715 1.00 25.04 C ATOM 97 CA ALA A 97 25.051 37.244 37.423 1.00 26.76 C ATOM 98 CA LYS A 98 25.157 38.364 33.737 1.00 31.33 C ATOM 99 CA GLY A 99 22.230 36.837 31.950 1.00 32.59 C ATOM 100 CA SER A 100 20.107 36.219 35.090 1.00 32.14 C ATOM 101 CA PRO A 101 16.330 36.280 34.409 1.00 30.11 C ATOM 102 CA ILE A 102 15.806 37.797 37.951 1.00 29.39 C ATOM 103 CA GLN A 103 13.484 40.786 38.191 1.00 28.46 C ATOM 104 CA PRO A 104 12.573 43.031 41.215 1.00 27.04 C ATOM 105 CA THR A 105 9.068 41.473 41.496 1.00 29.73 C ATOM 106 CA LEU A 106 7.745 39.266 44.188 1.00 34.61 C ATOM 107 CA GLU A 107 6.962 36.698 41.488 1.00 41.86 C ATOM 108 CA SER A 108 10.529 36.574 40.341 1.00 33.65 C ATOM 109 CA LEU A 109 12.191 36.704 43.780 1.00 31.28 C ATOM 110 CA LYS A 110 10.291 34.008 45.618 1.00 46.08 C ATOM 111 CA GLY A 111 12.801 31.304 46.171 1.00 47.54 C ATOM 112 CA LYS A 112 15.817 33.510 45.741 1.00 40.46 C ATOM 113 CA HIS A 113 18.274 34.731 48.404 1.00 33.76 C ATOM 114 CA VAL A 114 18.743 38.462 48.211 1.00 27.17 C ATOM 115 CA GLY A 115 21.486 40.124 50.210 1.00 21.40 C ATOM 116 CA VAL A 116 21.063 43.500 51.699 1.00 26.58 C ATOM 117 CA LEU A 117 23.367 45.675 53.860 1.00 31.66 C ATOM 118 CA GLN A 118 22.212 45.691 57.469 1.00 32.63 C ATOM 119 CA GLY A 119 20.632 48.932 58.614 1.00 33.87 C ATOM 120 CA SER A 120 20.367 50.553 55.181 1.00 32.03 C ATOM 121 CA THR A 121 17.311 51.918 53.314 1.00 28.77 C ATOM 122 CA GLN A 122 17.626 48.897 51.045 1.00 26.25 C ATOM 123 CA GLU A 123 17.001 46.452 53.999 1.00 27.20 C ATOM 124 CA ALA A 124 14.016 48.541 55.040 1.00 25.89 C ATOM 125 CA TYR A 125 12.534 48.320 51.537 1.00 27.11 C ATOM 126 CA ALA A 126 13.439 44.646 51.148 1.00 30.61 C ATOM 127 CA ASN A 127 12.103 43.739 54.600 1.00 35.20 C ATOM 128 CA ASP A 128 8.659 45.404 54.140 1.00 38.76 C ATOM 129 CA ASN A 129 8.132 44.605 50.482 1.00 35.89 C ATOM 130 CA TRP A 130 9.834 41.230 50.122 1.00 29.40 C ATOM 131 CA ARG A 131 10.906 39.435 53.301 1.00 28.43 C ATOM 132 CA THR A 132 7.389 39.706 54.868 1.00 28.40 C ATOM 133 CA LYS A 133 6.112 38.044 51.689 1.00 29.76 C ATOM 134 CA GLY A 134 8.519 35.088 51.885 1.00 36.64 C ATOM 135 CA VAL A 135 11.552 36.213 49.824 1.00 32.75 C ATOM 136 CA ASP A 136 14.678 35.117 51.797 1.00 29.93 C ATOM 137 CA VAL A 137 16.341 38.423 52.460 1.00 27.98 C ATOM 138 CA VAL A 138 19.736 38.176 54.222 1.00 28.42 C ATOM 139 CA ALA A 139 21.274 41.203 55.913 1.00 27.22 C ATOM 140 CA TYR A 140 25.043 41.639 55.942 1.00 30.32 C ATOM 141 CA ALA A 141 27.256 43.584 58.304 1.00 32.78 C ATOM 142 CA ASN A 142 29.547 44.440 55.479 1.00 40.84 C ATOM 143 CA GLN A 143 29.413 45.180 51.773 1.00 43.98 C ATOM 144 CA ASP A 144 32.507 43.036 51.038 1.00 44.71 C ATOM 145 CA LEU A 145 30.795 39.915 52.248 1.00 37.24 C ATOM 146 CA ILE A 146 27.763 40.653 50.050 1.00 34.85 C ATOM 147 CA TYR A 147 29.939 40.831 46.974 1.00 32.92 C ATOM 148 CA SER A 148 31.880 37.680 47.875 1.00 38.60 C ATOM 149 CA ASP A 149 28.693 35.731 48.558 1.00 34.74 C ATOM 150 CA LEU A 150 27.194 36.831 45.221 1.00 35.69 C ATOM 151 CA THR A 151 30.488 35.902 43.550 1.00 40.47 C ATOM 152 CA ALA A 152 30.472 32.571 45.394 1.00 40.44 C ATOM 153 CA GLY A 153 26.903 31.801 44.317 1.00 35.16 C ATOM 154 CA ARG A 154 25.625 32.016 47.897 1.00 39.45 C ATOM 155 CA LEU A 155 23.248 34.830 46.981 1.00 29.78 C ATOM 156 CA ASP A 156 21.046 35.119 43.932 1.00 29.30 C ATOM 157 CA ALA A 157 20.999 38.947 43.895 1.00 25.68 C ATOM 158 CA ALA A 158 21.914 41.928 45.979 1.00 24.18 C ATOM 159 CA LEU A 159 19.779 45.076 46.324 1.00 23.30 C ATOM 160 CA GLN A 160 22.109 48.053 46.292 1.00 27.98 C ATOM 161 CA ASP A 161 22.168 51.748 45.568 1.00 22.81 C ATOM 162 CA GLU A 162 22.406 51.949 41.727 1.00 25.07 C ATOM 163 CA VAL A 163 25.190 54.481 41.336 1.00 26.27 C ATOM 164 CA ALA A 164 27.158 52.891 44.167 1.00 30.47 C ATOM 165 CA ALA A 165 26.887 49.441 42.590 1.00 28.38 C ATOM 166 CA SER A 166 27.911 50.926 39.213 1.00 36.41 C ATOM 167 CA GLU A 167 30.942 52.792 40.349 1.00 41.21 C ATOM 168 CA GLY A 168 32.007 50.433 43.031 1.00 42.68 C ATOM 169 CA PHE A 169 31.551 46.875 41.777 1.00 33.75 C ATOM 170 CA LEU A 170 30.218 46.504 38.271 1.00 35.06 C ATOM 171 CA LYS A 171 33.123 48.702 37.148 1.00 45.86 C ATOM 172 CA GLN A 172 35.636 46.772 39.286 1.00 52.39 C ATOM 173 CA PRO A 173 37.371 43.573 37.981 1.00 51.71 C ATOM 174 CA ALA A 174 35.246 41.580 40.368 1.00 49.18 C ATOM 175 CA GLY A 175 31.984 42.764 38.774 1.00 42.99 C ATOM 176 CA LYS A 176 32.771 41.973 35.110 1.00 41.82 C ATOM 177 CA GLU A 177 30.509 38.909 35.071 1.00 36.65 C ATOM 178 CA TYR A 178 27.638 40.707 36.847 1.00 30.48 C ATOM 179 CA ALA A 179 24.985 43.174 35.835 1.00 23.47 C ATOM 180 CA PHE A 180 21.906 45.034 36.926 1.00 22.60 C ATOM 181 CA ALA A 181 18.974 42.680 36.903 1.00 21.55 C ATOM 182 CA GLY A 182 15.855 44.520 35.740 1.00 21.36 C ATOM 183 CA PRO A 183 15.058 48.245 36.131 1.00 20.99 C ATOM 184 CA SER A 184 15.781 50.331 39.242 1.00 26.86 C ATOM 185 CA VAL A 185 13.414 50.252 42.172 1.00 32.49 C ATOM 186 CA LYS A 186 11.921 53.602 42.899 1.00 36.63 C ATOM 187 CA ASP A 187 10.146 54.169 46.189 1.00 39.69 C ATOM 188 CA LYS A 188 9.931 57.714 47.714 1.00 38.22 C ATOM 189 CA LYS A 189 9.257 56.261 51.127 1.00 34.44 C ATOM 190 CA TYR A 190 12.621 54.478 51.381 1.00 32.90 C ATOM 191 CA PHE A 191 14.800 56.113 48.774 1.00 27.58 C ATOM 192 CA GLY A 192 13.306 59.610 48.612 1.00 28.78 C ATOM 193 CA ASP A 193 12.458 61.450 45.423 1.00 32.50 C ATOM 194 CA GLY A 194 15.857 61.989 43.872 1.00 24.42 C ATOM 195 CA THR A 195 18.331 64.402 45.413 1.00 21.33 C ATOM 196 CA GLY A 196 17.933 68.196 45.463 1.00 17.92 C ATOM 197 CA VAL A 197 19.600 71.411 46.622 1.00 18.01 C ATOM 198 CA GLY A 198 18.700 71.654 50.392 1.00 19.78 C ATOM 199 CA LEU A 199 17.538 75.181 51.277 1.00 22.17 C ATOM 200 CA ARG A 200 15.928 76.995 54.306 1.00 25.89 C ATOM 201 CA LYS A 201 12.128 76.703 54.125 1.00 29.67 C ATOM 202 CA ASP A 202 11.920 80.498 54.216 1.00 34.40 C ATOM 203 CA ASP A 203 14.223 81.168 51.320 1.00 32.56 C ATOM 204 CA THR A 204 11.747 81.053 48.544 1.00 30.61 C ATOM 205 CA GLU A 205 13.509 83.492 46.105 1.00 31.15 C ATOM 206 CA LEU A 206 16.673 81.363 46.383 1.00 28.25 C ATOM 207 CA LYS A 207 14.628 78.188 45.637 1.00 28.59 C ATOM 208 CA ALA A 208 13.025 79.933 42.648 1.00 25.77 C ATOM 209 CA ALA A 209 16.425 81.003 41.424 1.00 23.16 C ATOM 210 CA PHE A 210 17.846 77.401 41.689 1.00 25.09 C ATOM 211 CA ASP A 211 14.703 75.914 40.077 1.00 27.15 C ATOM 212 CA LYS A 212 14.789 78.361 37.145 1.00 30.60 C ATOM 213 CA ALA A 213 18.474 77.719 36.517 1.00 27.40 C ATOM 214 CA LEU A 214 18.084 73.938 36.703 1.00 25.91 C ATOM 215 CA THR A 215 15.205 73.928 34.082 1.00 33.15 C ATOM 216 CA GLU A 216 17.267 76.115 31.781 1.00 36.33 C ATOM 217 CA LEU A 217 20.387 73.986 31.838 1.00 30.91 C ATOM 218 CA ARG A 218 18.265 70.885 31.374 1.00 33.81 C ATOM 219 CA GLN A 219 16.422 72.395 28.373 1.00 43.39 C ATOM 220 CA ASP A 220 19.499 73.615 26.467 1.00 37.10 C ATOM 221 CA GLY A 221 21.263 70.224 26.900 1.00 36.83 C ATOM 222 CA THR A 222 24.010 71.299 29.355 1.00 33.27 C ATOM 223 CA TYR A 223 22.692 68.710 31.867 1.00 29.54 C ATOM 224 CA ASP A 224 23.357 65.858 29.427 1.00 34.77 C ATOM 225 CA LYS A 225 26.810 67.079 28.409 1.00 33.66 C ATOM 226 CA MET A 226 27.688 67.343 32.090 1.00 33.44 C ATOM 227 CA ALA A 227 26.275 63.917 33.012 1.00 32.81 C ATOM 228 CA LYS A 228 28.172 62.334 30.083 1.00 40.99 C ATOM 229 CA LYS A 229 31.498 62.822 31.938 1.00 37.64 C ATOM 230 CA TYR A 230 30.516 60.457 34.706 1.00 31.38 C ATOM 231 CA PHE A 231 27.569 58.362 33.769 1.00 34.98 C ATOM 232 CA ASP A 232 26.887 56.257 30.764 1.00 44.43 C ATOM 233 CA PHE A 233 23.249 55.923 31.878 1.00 37.52 C ATOM 234 CA ASN A 234 20.353 58.332 32.507 1.00 32.53 C ATOM 235 CA VAL A 235 21.192 59.487 36.033 1.00 28.29 C ATOM 236 CA TYR A 236 18.214 61.802 35.973 1.00 24.60 C ATOM 237 CA GLY A 237 15.674 58.929 35.996 1.00 35.43 C ATOM 238 CA ASP A 238 12.095 59.914 35.138 1.00 53.26 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. |