 |
| home | start a new run | job status | references&downloads | examples | help |
Should you encounter any unexpected behaviour,
|
*** ***elNémo ID: 2404260226082826983Job options:ID = 2404260226082826983 JOBID = USERID = unknown PRIVAT = 0 NMODES = 10 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = -1 CUTOFF = 8 CAONLY = 0 Input data for this run:CRYST1 0.000 0.000 0.000 90.00 90.00 90.00 P 1 1 ATOM 1 CA SER A 96 113.848 74.734 -36.362 1.00 34.95 C ATOM 2 CA VAL A 97 111.989 77.612 -34.722 1.00 25.03 C ATOM 3 CA PRO A 98 109.359 79.918 -36.265 1.00 26.79 C ATOM 4 CA SER A 99 110.378 83.579 -36.329 1.00 24.46 C ATOM 5 CA GLN A 100 108.629 85.828 -33.794 1.00 24.33 C ATOM 6 CA LYS A 101 109.864 89.124 -35.277 1.00 24.30 C ATOM 7 CA THR A 102 107.143 91.780 -35.461 1.00 19.41 C ATOM 8 CA TYR A 103 106.550 92.721 -39.099 1.00 19.86 C ATOM 9 CA GLN A 104 103.756 95.027 -40.274 1.00 19.45 C ATOM 10 CA GLY A 105 104.583 94.422 -43.928 1.00 20.55 C ATOM 11 CA SER A 106 103.102 96.238 -46.918 1.00 20.88 C ATOM 12 CA TYR A 107 99.598 96.198 -45.475 1.00 16.55 C ATOM 13 CA GLY A 108 100.388 97.644 -42.029 1.00 16.38 C ATOM 14 CA PHE A 109 99.348 94.509 -40.201 1.00 17.18 C ATOM 15 CA ARG A 110 99.132 94.431 -36.393 1.00 13.57 C ATOM 16 CA LEU A 111 97.016 92.942 -33.603 1.00 13.39 C ATOM 17 CA GLY A 112 94.593 94.651 -31.243 1.00 15.80 C ATOM 18 CA PHE A 113 93.016 93.514 -27.987 1.00 15.17 C ATOM 19 CA LEU A 114 89.893 94.549 -26.069 1.00 20.29 C ATOM 20 CA HIS A 115 90.192 96.284 -22.689 1.00 17.99 C ATOM 21 CA SER A 116 88.639 93.732 -20.349 1.00 22.95 C ATOM 22 CA GLY A 117 90.050 94.822 -16.998 1.00 24.51 C ATOM 23 CA THR A 118 91.305 92.680 -14.125 1.00 25.66 C ATOM 24 CA ALA A 119 88.181 91.919 -12.098 1.00 32.54 C ATOM 25 CA LYS A 120 88.522 88.540 -10.379 1.00 36.23 C ATOM 26 CA SER A 121 85.774 87.253 -12.687 1.00 33.78 C ATOM 27 CA VAL A 122 87.303 88.200 -16.057 1.00 25.42 C ATOM 28 CA THR A 123 87.821 85.251 -18.457 1.00 18.23 C ATOM 29 CA CYS A 124 90.301 86.813 -20.876 1.00 15.13 C ATOM 30 CA THR A 125 92.398 89.937 -20.335 1.00 13.82 C ATOM 31 CA TYR A 126 95.328 91.474 -22.174 1.00 11.29 C ATOM 32 CA SER A 127 98.255 93.324 -20.609 1.00 13.53 C ATOM 33 CA PRO A 128 99.920 95.840 -22.958 1.00 15.34 C ATOM 34 CA ALA A 129 102.739 96.397 -20.451 1.00 20.00 C ATOM 35 CA LEU A 130 103.623 92.703 -20.540 1.00 16.73 C ATOM 36 CA ASN A 131 102.398 92.049 -24.148 1.00 16.39 C ATOM 37 CA LYS A 132 100.664 89.121 -22.488 1.00 13.81 C ATOM 38 CA MET A 133 97.223 87.574 -22.765 1.00 0.00 C ATOM 39 CA PHE A 134 95.775 85.906 -19.650 1.00 11.96 C ATOM 40 CA CYS A 135 92.799 83.616 -20.252 1.00 15.39 C ATOM 41 CA GLN A 136 90.825 80.750 -18.764 1.00 18.41 C ATOM 42 CA LEU A 137 90.764 77.286 -20.272 1.00 15.21 C ATOM 43 CA ALA A 138 88.756 77.047 -23.498 1.00 20.37 C ATOM 44 CA LYS A 139 87.225 80.528 -23.178 1.00 18.80 C ATOM 45 CA THR A 140 86.846 83.014 -26.015 1.00 16.72 C ATOM 46 CA CYS A 141 89.944 85.128 -26.699 1.00 14.85 C ATOM 47 CA PRO A 142 89.102 87.947 -29.135 1.00 16.91 C ATOM 48 CA VAL A 143 92.024 89.007 -31.308 1.00 0.00 C ATOM 49 CA GLN A 144 91.576 92.026 -33.551 1.00 15.89 C ATOM 50 CA LEU A 145 93.337 92.229 -36.934 1.00 15.43 C ATOM 51 CA TRP A 146 94.235 95.771 -38.066 1.00 17.28 C ATOM 52 CA VAL A 147 95.594 96.735 -41.474 1.00 16.97 C ATOM 53 CA ASP A 148 96.242 100.077 -43.159 1.00 21.53 C ATOM 54 CA SER A 149 95.146 98.697 -46.524 1.00 26.44 C ATOM 55 CA THR A 150 93.214 95.604 -47.535 1.00 24.54 C ATOM 56 CA PRO A 151 95.373 92.635 -48.554 1.00 18.71 C ATOM 57 CA PRO A 152 94.572 90.517 -51.640 1.00 20.74 C ATOM 58 CA PRO A 153 91.709 88.024 -51.741 1.00 24.49 C ATOM 59 CA GLY A 154 93.109 84.647 -50.705 1.00 19.97 C ATOM 60 CA THR A 155 95.140 86.160 -47.880 1.00 17.20 C ATOM 61 CA ARG A 156 95.003 84.053 -44.705 1.00 13.74 C ATOM 62 CA VAL A 157 95.756 84.404 -40.981 1.00 13.04 C ATOM 63 CA ARG A 158 97.615 81.684 -39.094 1.00 12.40 C ATOM 64 CA ALA A 159 98.077 81.155 -35.352 1.00 11.23 C ATOM 65 CA MET A 160 100.856 79.016 -33.871 1.00 11.86 C ATOM 66 CA ALA A 161 102.264 78.613 -30.370 1.00 13.04 C ATOM 67 CA ILE A 162 105.925 78.191 -29.445 1.00 12.28 C ATOM 68 CA TYR A 163 107.640 78.020 -26.056 1.00 15.49 C ATOM 69 CA LYS A 164 108.945 81.460 -25.035 1.00 16.75 C ATOM 70 CA GLN A 165 112.087 80.159 -23.313 1.00 24.16 C ATOM 71 CA SER A 166 114.880 79.548 -25.827 1.00 23.58 C ATOM 72 CA GLN A 167 115.853 76.223 -24.224 1.00 22.36 C ATOM 73 CA HIS A 168 112.343 74.924 -25.012 1.00 21.05 C ATOM 74 CA MET A 169 111.836 76.598 -28.376 1.00 21.45 C ATOM 75 CA THR A 170 112.397 73.499 -30.475 1.00 22.63 C ATOM 76 CA GLU A 171 109.743 71.547 -28.587 1.00 18.71 C ATOM 77 CA VAL A 172 106.367 71.416 -30.323 1.00 15.30 C ATOM 78 CA VAL A 173 103.666 73.042 -28.176 1.00 13.04 C ATOM 79 CA ARG A 174 100.779 70.565 -27.800 1.00 14.89 C ATOM 80 CA ARG A 175 97.971 69.621 -25.428 1.00 12.11 C ATOM 81 CA CYS A 176 98.924 67.485 -22.424 1.00 14.31 C ATOM 82 CA PRO A 177 98.386 63.704 -22.134 1.00 18.20 C ATOM 83 CA HIS A 178 95.127 64.345 -20.342 1.00 16.73 C ATOM 84 CA HIS A 179 93.510 66.976 -22.542 1.00 14.39 C ATOM 85 CA GLU A 180 94.424 65.339 -25.857 1.00 15.58 C ATOM 86 CA ARG A 181 92.303 62.374 -24.712 1.00 18.95 C ATOM 87 CA ACYS A 182 89.243 64.135 -23.277 0.50 26.16 C ATOM 88 CA BCYS A 182 89.252 64.254 -23.300 0.50 27.52 C ATOM 89 CA SER A 183 87.210 63.905 -26.488 1.00 34.68 C ATOM 90 CA ASP A 184 86.322 67.598 -26.514 1.00 28.51 C ATOM 91 CA SER A 185 86.897 68.265 -30.207 1.00 33.76 C ATOM 92 CA ASP A 186 84.483 70.601 -31.960 1.00 37.17 C ATOM 93 CA GLY A 187 84.624 68.273 -34.946 1.00 36.57 C ATOM 94 CA LEU A 188 87.321 70.177 -36.817 1.00 27.64 C ATOM 95 CA ALA A 189 90.249 70.732 -34.454 1.00 18.50 C ATOM 96 CA PRO A 190 92.495 67.713 -33.922 1.00 17.61 C ATOM 97 CA PRO A 191 92.407 66.827 -30.194 1.00 16.28 C ATOM 98 CA GLN A 192 96.167 67.488 -29.926 1.00 14.24 C ATOM 99 CA HIS A 193 96.046 71.170 -30.944 1.00 11.92 C ATOM 100 CA LEU A 194 96.369 73.793 -28.238 1.00 12.13 C ATOM 101 CA ILE A 195 94.893 76.631 -30.290 1.00 10.72 C ATOM 102 CA ARG A 196 91.443 76.486 -31.856 1.00 11.91 C ATOM 103 CA VAL A 197 89.430 79.067 -33.762 1.00 14.27 C ATOM 104 CA GLU A 198 85.786 79.474 -32.680 1.00 20.93 C ATOM 105 CA GLY A 199 82.846 79.786 -35.046 1.00 27.79 C ATOM 106 CA ASN A 200 84.577 79.714 -38.409 1.00 23.34 C ATOM 107 CA LEU A 201 83.744 76.703 -40.553 1.00 27.64 C ATOM 108 CA ARG A 202 86.579 77.634 -42.904 1.00 23.49 C ATOM 109 CA VAL A 203 89.221 77.116 -40.258 1.00 0.00 C ATOM 110 CA AGLU A 204 91.942 74.692 -41.272 0.50 18.49 C ATOM 111 CA BGLU A 204 91.968 74.708 -41.294 0.50 18.65 C ATOM 112 CA TYR A 205 94.223 72.847 -38.864 1.00 14.54 C ATOM 113 CA LEU A 206 97.715 71.984 -39.965 1.00 17.73 C ATOM 114 CA ASP A 207 100.168 69.415 -38.661 1.00 21.73 C ATOM 115 CA ASP A 208 103.370 70.413 -40.425 1.00 25.94 C ATOM 116 CA ARG A 209 104.803 67.355 -42.166 1.00 33.24 C ATOM 117 CA ASN A 210 108.317 68.740 -41.724 1.00 33.89 C ATOM 118 CA THR A 211 108.382 70.527 -38.339 1.00 27.04 C ATOM 119 CA PHE A 212 105.490 68.634 -36.754 1.00 21.40 C ATOM 120 CA ARG A 213 104.248 71.966 -35.382 1.00 18.35 C ATOM 121 CA HIS A 214 100.502 72.653 -35.103 1.00 15.72 C ATOM 122 CA SER A 215 98.682 75.725 -36.412 1.00 14.21 C ATOM 123 CA VAL A 216 95.197 76.921 -37.279 1.00 10.89 C ATOM 124 CA VAL A 217 94.593 79.186 -40.269 1.00 12.41 C ATOM 125 CA VAL A 218 91.518 81.030 -41.533 1.00 15.42 C ATOM 126 CA PRO A 219 90.803 83.209 -44.563 1.00 17.44 C ATOM 127 CA TYR A 220 91.372 86.907 -43.901 1.00 20.46 C ATOM 128 CA GLU A 221 88.027 88.742 -44.114 1.00 28.59 C ATOM 129 CA PRO A 222 88.016 92.548 -44.553 1.00 26.46 C ATOM 130 CA PRO A 223 86.144 94.531 -41.871 1.00 31.52 C ATOM 131 CA GLU A 224 82.346 94.612 -42.107 1.00 44.17 C ATOM 132 CA VAL A 225 80.392 97.760 -42.913 1.00 46.87 C ATOM 133 CA GLY A 226 80.748 99.980 -39.874 1.00 46.15 C ATOM 134 CA SER A 227 83.672 98.017 -38.475 1.00 40.05 C ATOM 135 CA ASP A 228 87.294 99.140 -38.622 1.00 31.94 C ATOM 136 CA CYS A 229 88.929 95.801 -37.844 1.00 25.66 C ATOM 137 CA THR A 230 88.314 92.077 -38.211 1.00 22.81 C ATOM 138 CA THR A 231 88.192 89.839 -35.138 1.00 18.48 C ATOM 139 CA ILE A 232 89.177 86.185 -34.755 1.00 16.70 C ATOM 140 CA HIS A 233 88.018 84.315 -31.665 1.00 15.26 C ATOM 141 CA TYR A 234 90.644 81.900 -30.322 1.00 12.63 C ATOM 142 CA ASN A 235 90.427 79.198 -27.639 1.00 14.85 C ATOM 143 CA TYR A 236 93.399 77.766 -25.704 1.00 12.56 C ATOM 144 CA MET A 237 92.756 74.143 -24.793 1.00 14.05 C ATOM 145 CA CYS A 238 95.229 73.441 -21.940 1.00 16.12 C ATOM 146 CA ASN A 239 96.402 75.300 -18.856 1.00 0.00 C ATOM 147 CA SER A 240 99.919 76.648 -18.785 1.00 14.19 C ATOM 148 CA SER A 241 100.360 74.391 -15.771 1.00 19.38 C ATOM 149 CA CYS A 242 99.250 71.138 -17.423 1.00 18.62 C ATOM 150 CA MET A 243 101.667 68.357 -16.498 1.00 19.51 C ATOM 151 CA GLY A 244 103.221 66.578 -19.466 1.00 21.17 C ATOM 152 CA GLY A 245 102.169 69.468 -21.693 1.00 21.49 C ATOM 153 CA MET A 246 103.139 73.124 -21.282 1.00 18.74 C ATOM 154 CA ASN A 247 104.185 72.175 -17.756 1.00 22.26 C ATOM 155 CA ARG A 248 104.297 75.737 -16.375 1.00 21.16 C ATOM 156 CA ARG A 249 106.420 76.941 -19.297 1.00 19.83 C ATOM 157 CA PRO A 250 105.283 80.253 -20.845 1.00 17.28 C ATOM 158 CA ILE A 251 104.350 80.254 -24.518 1.00 10.57 C ATOM 159 CA LEU A 252 104.021 82.860 -27.230 1.00 14.23 C ATOM 160 CA THR A 253 101.295 82.889 -29.855 1.00 11.91 C ATOM 161 CA ILE A 254 102.548 84.022 -33.269 1.00 13.41 C ATOM 162 CA ILE A 255 99.928 85.405 -35.672 1.00 12.75 C ATOM 163 CA ATHR A 256 100.987 85.625 -39.286 0.75 16.36 C ATOM 164 CA BTHR A 256 100.993 85.576 -39.296 0.25 15.91 C ATOM 165 CA LEU A 257 99.265 87.218 -42.254 1.00 16.09 C ATOM 166 CA GLU A 258 100.181 85.170 -45.335 1.00 20.05 C ATOM 167 CA ASP A 259 99.402 85.033 -49.032 1.00 18.28 C ATOM 168 CA SER A 260 97.618 82.113 -50.697 1.00 16.16 C ATOM 169 CA SER A 261 100.907 80.184 -50.986 1.00 20.43 C ATOM 170 CA GLY A 262 101.693 80.648 -47.314 1.00 14.93 C ATOM 171 CA ASN A 263 104.321 83.358 -47.924 1.00 19.43 C ATOM 172 CA LEU A 264 104.853 85.950 -45.178 1.00 20.21 C ATOM 173 CA LEU A 265 102.959 89.266 -45.438 1.00 17.80 C ATOM 174 CA GLY A 266 102.909 90.308 -41.787 1.00 14.57 C ATOM 175 CA ARG A 267 103.536 89.023 -38.273 1.00 12.03 C ATOM 176 CA ASN A 268 102.710 89.839 -34.673 1.00 0.00 C ATOM 177 CA SER A 269 102.865 87.942 -31.409 1.00 9.81 C ATOM 178 CA PHE A 270 102.055 87.953 -27.706 1.00 11.84 C ATOM 179 CA GLU A 271 102.789 85.843 -24.649 1.00 10.35 C ATOM 180 CA VAL A 272 99.951 83.726 -23.246 1.00 13.10 C ATOM 181 CA ARG A 273 99.168 82.298 -19.815 1.00 13.37 C ATOM 182 CA VAL A 274 96.114 80.000 -19.581 1.00 14.01 C ATOM 183 CA CYS A 275 95.149 79.977 -15.917 1.00 18.20 C ATOM 184 CA ALA A 276 92.289 79.781 -13.425 1.00 22.87 C ATOM 185 CA ACYS A 277 92.143 83.485 -12.505 0.60 22.61 C ATOM 186 CA BCYS A 277 92.156 83.487 -12.486 0.40 22.61 C ATOM 187 CA PRO A 278 93.378 85.722 -15.364 1.00 20.24 C ATOM 188 CA GLY A 279 92.408 88.936 -13.568 1.00 22.69 C ATOM 189 CA ARG A 280 94.451 88.221 -10.469 1.00 24.11 C ATOM 190 CA ASP A 281 97.434 86.836 -12.363 1.00 19.82 C ATOM 191 CA ARG A 282 97.559 89.855 -14.657 1.00 18.58 C ATOM 192 CA ARG A 283 97.394 92.203 -11.641 1.00 26.92 C ATOM 193 CA THR A 284 100.134 90.207 -9.893 1.00 25.82 C ATOM 194 CA GLU A 285 102.479 90.109 -12.848 1.00 24.19 C ATOM 195 CA GLU A 286 101.971 93.783 -13.644 1.00 25.83 C ATOM 196 CA GLU A 287 102.682 94.578 -9.999 1.00 40.50 C ATOM 197 CA ASN A 288 105.910 92.597 -10.083 1.00 42.82 C ATOM 198 CA LEU A 289 106.901 94.494 -13.234 1.00 43.27 C ATOM 199 CA ARG A 290 106.260 97.803 -11.471 1.00 49.11 C ATOM 200 ZN ZN A 313 96.039 70.042 -20.437 1.00 18.29 ZN 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. |