 |
| home | start a new run | job status | references&downloads | examples | help |
Should you encounter any unexpected behaviour,
|
*** ***elNémo ID: 230412130249114472Job options:ID = 230412130249114472 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 48.300 93.900 122.100 90.00 90.00 90.00 P 1 1 ATOM 1 CA GLY A 5 14.134 44.305 34.668 1.00 22.10 C ATOM 2 CA ILE A 6 11.073 45.913 33.498 1.00 20.10 C ATOM 3 CA ARG A 7 10.735 47.039 29.929 1.00 20.80 C ATOM 4 CA ALA A 8 7.951 47.706 27.574 1.00 22.50 C ATOM 5 CA ALA A 9 6.285 45.502 24.914 1.00 25.90 C ATOM 6 CA THR A 10 7.375 46.428 21.328 1.00 27.90 C ATOM 7 CA SER A 11 4.350 46.913 19.002 1.00 29.00 C ATOM 8 CA GLN A 12 5.304 43.580 17.592 1.00 29.50 C ATOM 9 CA GLU A 13 4.827 41.591 20.769 1.00 23.70 C ATOM 10 CA ILE A 14 1.740 43.499 21.414 1.00 22.90 C ATOM 11 CA ASN A 15 0.445 42.332 17.954 1.00 26.00 C ATOM 12 CA GLU A 16 1.436 38.814 18.431 1.00 24.60 C ATOM 13 CA LEU A 17 0.014 38.773 22.021 1.00 22.20 C ATOM 14 CA THR A 18 -3.500 39.723 20.551 1.00 21.50 C ATOM 15 CA TYR A 19 -3.628 36.974 17.980 1.00 20.00 C ATOM 16 CA TYR A 20 -3.100 34.331 20.758 1.00 18.60 C ATOM 17 CA THR A 21 -5.776 36.267 22.696 1.00 16.60 C ATOM 18 CA THR A 22 -8.188 36.019 19.719 1.00 14.40 C ATOM 19 CA LEU A 23 -7.575 32.274 19.328 1.00 13.20 C ATOM 20 CA SER A 24 -8.261 31.991 23.152 1.00 15.00 C ATOM 21 CA ALA A 25 -11.522 34.004 22.980 1.00 16.90 C ATOM 22 CA ASN A 26 -12.863 32.361 19.871 1.00 19.00 C ATOM 23 CA SER A 27 -12.536 29.078 21.687 1.00 18.30 C ATOM 24 CA TYR A 28 -15.463 30.123 24.008 1.00 16.70 C ATOM 25 CA CYS A 29 -17.616 29.943 20.848 1.00 21.20 C ATOM 26 CA ARG A 30 -19.936 26.856 20.565 1.00 22.20 C ATOM 27 CA THR A 31 -19.401 27.054 16.721 1.00 19.30 C ATOM 28 CA VAL A 32 -15.525 26.619 17.036 1.00 17.80 C ATOM 29 CA ILE A 33 -15.657 24.168 19.824 1.00 19.00 C ATOM 30 CA PRO A 34 -17.363 22.005 19.005 1.00 21.90 C ATOM 31 CA GLY A 35 -19.074 23.323 15.834 1.00 21.70 C ATOM 32 CA ALA A 36 -15.455 23.351 14.564 1.00 23.10 C ATOM 33 CA THR A 37 -16.271 26.201 12.089 1.00 25.60 C ATOM 34 CA TRP A 38 -14.765 29.763 11.973 1.00 23.00 C ATOM 35 CA ASP A 39 -18.195 31.272 12.523 1.00 25.40 C ATOM 36 CA CYS A 40 -17.818 33.770 15.254 1.00 26.70 C ATOM 37 CA ILE A 41 -17.310 37.447 15.835 1.00 26.80 C ATOM 38 CA HIS A 42 -13.573 37.392 15.666 1.00 25.60 C ATOM 39 CA CYS A 43 -13.385 34.230 13.586 1.00 26.90 C ATOM 40 CA ASP A 44 -12.468 35.954 10.295 1.00 27.00 C ATOM 41 CA ALA A 45 -9.128 36.787 11.983 1.00 24.30 C ATOM 42 CA THR A 46 -8.248 33.134 12.422 1.00 23.10 C ATOM 43 CA GLU A 47 -10.276 31.605 9.485 1.00 22.10 C ATOM 44 CA ASP A 48 -7.166 30.508 7.372 1.00 24.90 C ATOM 45 CA LEU A 49 -6.201 27.845 9.975 1.00 21.60 C ATOM 46 CA LYS A 50 -7.520 24.281 9.396 1.00 20.70 C ATOM 47 CA ILE A 51 -9.248 23.041 12.501 1.00 19.20 C ATOM 48 CA ILE A 52 -7.988 19.499 12.969 1.00 19.10 C ATOM 49 CA LYS A 53 -9.912 18.040 15.902 1.00 21.20 C ATOM 50 CA THR A 54 -12.074 19.498 18.684 1.00 21.10 C ATOM 51 CA TRP A 55 -12.748 17.714 22.156 1.00 22.70 C ATOM 52 CA SER A 56 -15.363 18.319 24.963 1.00 22.20 C ATOM 53 CA THR A 57 -14.276 15.731 27.594 1.00 24.40 C ATOM 54 CA LEU A 58 -17.091 14.497 29.741 1.00 25.60 C ATOM 55 CA ILE A 59 -16.144 14.563 33.334 1.00 24.90 C ATOM 56 CA TYR A 60 -14.214 17.869 33.432 1.00 20.70 C ATOM 57 CA ASP A 61 -15.739 19.424 30.431 1.00 15.70 C ATOM 58 CA THR A 62 -12.167 20.252 29.052 1.00 13.30 C ATOM 59 CA ASN A 63 -12.597 22.010 25.626 1.00 13.80 C ATOM 60 CA ALA A 64 -9.538 22.110 23.355 1.00 16.30 C ATOM 61 CA MET A 65 -8.617 22.020 19.670 1.00 17.90 C ATOM 62 CA VAL A 66 -5.743 21.405 17.296 1.00 15.40 C ATOM 63 CA ALA A 67 -5.509 23.495 14.163 1.00 14.70 C ATOM 64 CA ARG A 68 -2.847 24.113 11.494 1.00 15.60 C ATOM 65 CA GLY A 69 -1.895 27.422 9.891 1.00 15.90 C ATOM 66 CA ASP A 70 0.098 26.386 6.704 1.00 19.60 C ATOM 67 CA SER A 71 0.588 30.092 5.676 1.00 23.10 C ATOM 68 CA GLU A 72 2.030 30.473 9.212 1.00 22.50 C ATOM 69 CA LYS A 73 3.930 27.199 9.461 1.00 21.00 C ATOM 70 CA THR A 74 2.219 26.673 12.807 1.00 18.90 C ATOM 71 CA ILE A 75 0.425 23.956 14.601 1.00 15.40 C ATOM 72 CA TYR A 76 -2.008 25.558 17.191 1.00 13.00 C ATOM 73 CA ILE A 77 -3.358 23.898 20.275 1.00 11.70 C ATOM 74 CA VAL A 78 -6.067 25.755 22.140 1.00 12.70 C ATOM 75 CA PHE A 79 -7.983 25.224 25.334 1.00 15.50 C ATOM 76 CA ARG A 80 -11.153 27.121 26.529 1.00 18.20 C ATOM 77 CA GLY A 81 -11.539 28.586 30.074 1.00 19.60 C ATOM 78 CA SER A 82 -14.512 28.026 32.490 1.00 19.50 C ATOM 79 CA SER A 83 -17.854 27.930 30.786 1.00 21.50 C ATOM 80 CA SER A 84 -19.560 25.272 32.830 1.00 22.50 C ATOM 81 CA ILE A 85 -20.117 24.105 36.408 1.00 25.60 C ATOM 82 CA ARG A 86 -17.772 21.174 35.816 1.00 24.50 C ATOM 83 CA ASN A 87 -15.045 23.768 35.034 1.00 23.10 C ATOM 84 CA TRP A 88 -15.910 25.828 38.032 1.00 20.70 C ATOM 85 CA ILE A 89 -15.752 22.961 40.530 1.00 22.60 C ATOM 86 CA ALA A 90 -12.423 21.861 38.981 1.00 24.70 C ATOM 87 CA ASP A 91 -11.346 25.429 39.261 1.00 26.40 C ATOM 88 CA LEU A 92 -12.099 25.167 42.970 1.00 28.00 C ATOM 89 CA THR A 93 -10.555 21.777 43.673 1.00 25.90 C ATOM 90 CA PHE A 94 -7.042 23.247 44.340 1.00 26.50 C ATOM 91 CA VAL A 95 -5.667 20.821 46.782 1.00 26.10 C ATOM 92 CA PRO A 96 -2.061 20.621 45.574 1.00 26.30 C ATOM 93 CA VAL A 97 -1.420 17.059 44.397 1.00 27.60 C ATOM 94 CA SER A 98 1.820 15.595 43.096 1.00 26.80 C ATOM 95 CA TYR A 99 3.281 16.452 39.802 1.00 25.30 C ATOM 96 CA PRO A 100 3.821 13.012 38.240 1.00 26.40 C ATOM 97 CA PRO A 101 6.530 13.684 35.589 1.00 26.10 C ATOM 98 CA VAL A 102 8.657 15.745 38.132 1.00 26.10 C ATOM 99 CA SER A 103 9.463 14.547 41.661 1.00 28.10 C ATOM 100 CA GLY A 104 9.177 17.085 44.351 1.00 24.70 C ATOM 101 CA THR A 105 6.656 19.102 42.366 1.00 21.70 C ATOM 102 CA LYS A 106 3.123 19.991 43.196 1.00 24.90 C ATOM 103 CA VAL A 107 0.240 21.264 41.046 1.00 22.50 C ATOM 104 CA HIS A 108 -3.405 22.198 41.665 1.00 19.70 C ATOM 105 CA LYS A 109 -5.368 18.914 41.320 1.00 22.00 C ATOM 106 CA GLY A 110 -8.446 20.230 39.480 1.00 22.00 C ATOM 107 CA PHE A 111 -6.230 21.631 36.653 1.00 21.90 C ATOM 108 CA LEU A 112 -4.335 18.271 36.438 1.00 22.80 C ATOM 109 CA ASP A 113 -7.493 16.241 36.296 1.00 22.30 C ATOM 110 CA SER A 114 -8.837 18.575 33.608 1.00 21.00 C ATOM 111 CA TYR A 115 -5.745 18.059 31.349 1.00 22.00 C ATOM 112 CA GLY A 116 -5.491 14.374 32.254 1.00 21.80 C ATOM 113 CA GLU A 117 -8.933 13.659 30.558 1.00 21.20 C ATOM 114 CA VAL A 118 -8.126 15.142 27.051 1.00 21.80 C ATOM 115 CA GLN A 119 -4.343 14.674 27.262 1.00 24.90 C ATOM 116 CA ASN A 120 -3.923 11.508 25.380 1.00 27.50 C ATOM 117 CA GLU A 121 -6.182 11.898 22.446 1.00 27.70 C ATOM 118 CA LEU A 122 -4.875 15.440 22.237 1.00 22.60 C ATOM 119 CA VAL A 123 -1.117 14.617 22.443 1.00 22.10 C ATOM 120 CA ALA A 124 -1.571 12.006 19.701 1.00 20.60 C ATOM 121 CA THR A 125 -3.046 14.525 17.113 1.00 18.70 C ATOM 122 CA VAL A 126 -0.325 17.071 17.661 1.00 21.00 C ATOM 123 CA LEU A 127 2.279 14.520 17.191 1.00 23.60 C ATOM 124 CA ASP A 128 0.423 13.031 14.183 1.00 25.60 C ATOM 125 CA GLN A 129 0.190 16.543 12.827 1.00 23.80 C ATOM 126 CA PHE A 130 3.866 17.271 13.487 1.00 23.60 C ATOM 127 CA LYS A 131 5.190 13.947 12.275 1.00 26.00 C ATOM 128 CA GLN A 132 3.895 15.287 8.915 1.00 24.30 C ATOM 129 CA TYR A 133 5.211 18.929 9.347 1.00 20.30 C ATOM 130 CA PRO A 134 8.412 18.487 11.363 1.00 20.80 C ATOM 131 CA SER A 135 9.450 21.992 10.432 1.00 19.60 C ATOM 132 CA TYR A 136 6.411 23.880 11.789 1.00 18.60 C ATOM 133 CA LYS A 137 6.258 25.122 15.283 1.00 21.20 C ATOM 134 CA VAL A 138 3.732 24.503 18.057 1.00 18.90 C ATOM 135 CA ALA A 139 1.987 27.482 19.662 1.00 17.90 C ATOM 136 CA VAL A 140 -0.269 26.547 22.740 1.00 15.60 C ATOM 137 CA THR A 141 -2.721 29.151 23.976 1.00 15.50 C ATOM 138 CA GLY A 142 -5.405 29.533 26.664 1.00 17.10 C ATOM 139 CA HIS A 143 -7.507 31.838 28.841 1.00 18.10 C ATOM 140 CA SER A 144 -8.044 31.561 32.644 1.00 18.70 C ATOM 141 CA LEU A 145 -8.496 27.772 33.144 1.00 17.90 C ATOM 142 CA GLY A 146 -7.512 27.311 29.501 1.00 17.90 C ATOM 143 CA GLY A 147 -4.254 28.994 30.289 1.00 15.70 C ATOM 144 CA ALA A 148 -3.707 26.593 33.149 1.00 14.80 C ATOM 145 CA THR A 149 -4.340 23.544 30.978 1.00 18.00 C ATOM 146 CA ALA A 150 -2.438 25.219 28.042 1.00 19.60 C ATOM 147 CA LEU A 151 0.557 25.267 30.502 1.00 20.30 C ATOM 148 CA LEU A 152 0.362 21.545 31.458 1.00 19.40 C ATOM 149 CA CYS A 153 0.192 20.626 27.739 1.00 21.20 C ATOM 150 CA ALA A 154 3.282 22.496 26.547 1.00 21.40 C ATOM 151 CA LEU A 155 4.871 20.563 29.437 1.00 20.40 C ATOM 152 CA ASP A 156 3.387 17.220 28.512 1.00 19.80 C ATOM 153 CA LEU A 157 4.636 17.894 24.900 1.00 20.30 C ATOM 154 CA TYR A 158 8.235 18.888 25.874 1.00 24.50 C ATOM 155 CA GLN A 159 8.320 15.820 28.032 1.00 27.10 C ATOM 156 CA ARG A 160 7.466 13.276 25.289 1.00 30.10 C ATOM 157 CA GLU A 161 10.947 13.992 23.822 1.00 29.90 C ATOM 158 CA GLU A 162 9.636 13.885 20.340 1.00 27.00 C ATOM 159 CA GLY A 163 11.378 16.806 18.531 1.00 25.10 C ATOM 160 CA LEU A 164 9.627 19.569 20.509 1.00 25.00 C ATOM 161 CA SER A 165 11.902 21.494 22.919 1.00 24.30 C ATOM 162 CA SER A 166 12.439 25.145 23.474 1.00 24.60 C ATOM 163 CA SER A 167 13.069 26.240 19.887 1.00 23.40 C ATOM 164 CA ASN A 168 9.785 25.048 18.528 1.00 20.60 C ATOM 165 CA LEU A 169 7.318 25.088 21.434 1.00 19.00 C ATOM 166 CA PHE A 170 5.609 28.420 22.412 1.00 16.70 C ATOM 167 CA LEU A 171 3.160 29.136 25.335 1.00 14.50 C ATOM 168 CA TYR A 172 0.763 32.125 25.560 1.00 15.40 C ATOM 169 CA THR A 173 -1.711 32.441 28.466 1.00 15.60 C ATOM 170 CA GLN A 174 -4.135 35.283 29.382 1.00 16.50 C ATOM 171 CA GLY A 175 -5.497 36.049 32.871 1.00 16.40 C ATOM 172 CA GLN A 176 -4.083 32.671 33.896 1.00 17.70 C ATOM 173 CA PRO A 177 -4.533 31.342 37.463 1.00 19.80 C ATOM 174 CA ARG A 178 -1.313 30.009 39.300 1.00 20.60 C ATOM 175 CA VAL A 179 -0.815 26.213 38.591 1.00 20.10 C ATOM 176 CA GLY A 180 1.635 24.799 41.146 1.00 19.30 C ATOM 177 CA ASN A 181 4.203 25.349 43.825 1.00 22.70 C ATOM 178 CA PRO A 182 7.530 27.076 43.875 1.00 25.30 C ATOM 179 CA ALA A 183 9.268 23.834 42.648 1.00 27.50 C ATOM 180 CA PHE A 184 6.843 23.551 39.726 1.00 27.50 C ATOM 181 CA ALA A 185 7.247 27.240 38.904 1.00 27.60 C ATOM 182 CA ASN A 186 10.975 26.375 38.933 1.00 28.20 C ATOM 183 CA TYR A 187 10.919 23.299 36.821 1.00 28.10 C ATOM 184 CA VAL A 188 8.910 25.253 34.245 1.00 23.20 C ATOM 185 CA VAL A 189 11.641 27.749 34.016 1.00 20.60 C ATOM 186 CA SER A 190 14.119 24.897 33.279 1.00 23.20 C ATOM 187 CA THR A 191 12.407 23.620 30.086 1.00 21.60 C ATOM 188 CA GLY A 192 13.298 26.964 28.711 1.00 18.30 C ATOM 189 CA ILE A 193 9.996 26.761 26.732 1.00 19.50 C ATOM 190 CA PRO A 194 9.127 30.340 25.523 1.00 18.80 C ATOM 191 CA TYR A 195 6.250 31.652 27.762 1.00 17.60 C ATOM 192 CA ARG A 196 4.418 34.982 27.368 1.00 19.70 C ATOM 193 CA ARG A 197 2.045 35.252 30.517 1.00 19.10 C ATOM 194 CA THR A 198 -0.335 38.213 29.778 1.00 16.70 C ATOM 195 CA VAL A 199 -2.392 39.886 32.454 1.00 17.60 C ATOM 196 CA ASN A 200 -4.949 42.599 31.853 1.00 23.60 C ATOM 197 CA GLU A 201 -4.862 45.680 34.139 1.00 25.50 C ATOM 198 CA ARG A 202 -6.511 44.928 37.454 1.00 27.00 C ATOM 199 CA ASP A 203 -7.734 41.368 36.517 1.00 23.40 C ATOM 200 CA ILE A 204 -8.049 39.177 39.565 1.00 19.90 C ATOM 201 CA VAL A 205 -7.444 35.558 38.379 1.00 17.30 C ATOM 202 CA PRO A 206 -3.682 35.807 37.942 1.00 16.80 C ATOM 203 CA HIS A 207 -3.795 36.449 41.677 1.00 19.50 C ATOM 204 CA LEU A 208 -5.563 33.182 42.710 1.00 23.20 C ATOM 205 CA PRO A 209 -5.024 30.621 44.255 1.00 26.70 C ATOM 206 CA PRO A 210 -3.250 32.829 46.836 1.00 27.90 C ATOM 207 CA ALA A 211 0.606 32.612 46.979 1.00 27.80 C ATOM 208 CA ALA A 212 0.570 31.867 50.776 1.00 28.90 C ATOM 209 CA PHE A 213 -1.217 28.435 50.069 1.00 30.60 C ATOM 210 CA GLY A 214 2.012 27.508 48.160 1.00 28.20 C ATOM 211 CA PHE A 215 1.295 28.796 44.616 1.00 25.00 C ATOM 212 CA LEU A 216 3.929 30.572 42.510 1.00 22.70 C ATOM 213 CA HIS A 217 3.784 31.486 38.795 1.00 21.80 C ATOM 214 CA ALA A 218 6.479 30.949 36.183 1.00 20.60 C ATOM 215 CA GLY A 219 6.299 33.025 32.909 1.00 19.70 C ATOM 216 CA SER A 220 7.475 36.407 31.560 1.00 19.20 C ATOM 217 CA GLU A 221 4.541 38.696 32.631 1.00 16.80 C ATOM 218 CA TYR A 222 3.192 40.964 29.949 1.00 14.40 C ATOM 219 CA TRP A 223 0.994 43.264 32.017 1.00 16.40 C ATOM 220 CA ILE A 224 -1.388 45.439 29.948 1.00 18.20 C ATOM 221 CA THR A 225 -1.400 48.771 32.014 1.00 23.80 C ATOM 222 CA ASP A 226 -3.688 51.045 29.847 1.00 28.80 C ATOM 223 CA ASN A 227 -6.003 50.324 26.939 1.00 33.40 C ATOM 224 CA SER A 228 -5.840 53.226 24.583 1.00 33.90 C ATOM 225 CA PRO A 229 -3.669 53.138 23.005 1.00 31.60 C ATOM 226 CA GLU A 230 -2.636 49.759 24.326 1.00 29.60 C ATOM 227 CA THR A 231 0.385 49.764 26.559 1.00 25.20 C ATOM 228 CA VAL A 232 2.045 46.594 27.922 1.00 20.50 C ATOM 229 CA GLN A 233 4.784 46.493 30.497 1.00 18.40 C ATOM 230 CA VAL A 234 7.026 43.398 30.580 1.00 16.90 C ATOM 231 CA CYS A 235 8.715 42.356 33.797 1.00 22.50 C ATOM 232 CA THR A 236 11.411 40.054 32.278 1.00 24.60 C ATOM 233 CA SER A 237 11.968 37.794 35.337 1.00 24.50 C ATOM 234 CA ASP A 238 10.707 34.161 34.609 1.00 25.30 C ATOM 235 CA LEU A 239 9.353 33.532 38.031 1.00 23.40 C ATOM 236 CA GLU A 240 6.632 35.681 39.551 1.00 25.10 C ATOM 237 CA THR A 241 7.619 39.263 40.499 1.00 25.50 C ATOM 238 CA SER A 242 6.209 41.994 42.718 1.00 25.80 C ATOM 239 CA ASP A 243 6.410 44.675 39.912 1.00 26.20 C ATOM 240 CA CYS A 244 3.741 43.971 37.235 1.00 25.90 C ATOM 241 CA SER A 245 0.091 43.279 38.335 1.00 24.90 C ATOM 242 CA ASN A 246 1.213 42.224 41.805 1.00 24.50 C ATOM 243 CA SER A 247 1.629 45.945 42.748 1.00 26.50 C ATOM 244 CA ILE A 248 -2.068 46.971 42.098 1.00 27.50 C ATOM 245 CA VAL A 249 -3.303 44.420 44.654 1.00 30.80 C ATOM 246 CA PRO A 250 -5.683 44.604 46.670 1.00 31.60 C ATOM 247 CA PHE A 251 -7.512 46.755 44.196 1.00 32.50 C ATOM 248 CA THR A 252 -8.364 43.881 41.762 1.00 32.30 C ATOM 249 CA SER A 253 -11.265 43.540 39.224 1.00 30.70 C ATOM 250 CA VAL A 254 -13.309 40.807 37.462 1.00 27.30 C ATOM 251 CA LEU A 255 -14.257 43.025 34.629 1.00 25.50 C ATOM 252 CA ASP A 256 -10.626 43.434 33.602 1.00 22.80 C ATOM 253 CA HIS A 257 -10.381 39.653 33.264 1.00 22.10 C ATOM 254 CA LEU A 258 -13.026 39.410 30.552 1.00 21.80 C ATOM 255 CA SER A 259 -11.383 41.683 28.111 1.00 22.40 C ATOM 256 CA TYR A 260 -7.929 41.385 26.754 1.00 18.80 C ATOM 257 CA PHE A 261 -6.807 43.767 24.079 1.00 18.50 C ATOM 258 CA GLY A 262 -10.334 44.907 23.414 1.00 20.40 C ATOM 259 CA ILE A 263 -11.536 41.274 22.820 1.00 19.80 C ATOM 260 CA ASN A 264 -14.216 39.722 25.043 1.00 19.60 C ATOM 261 CA THR A 265 -12.534 36.631 26.521 1.00 19.00 C ATOM 262 CA GLY A 266 -15.149 34.539 28.290 1.00 20.80 C ATOM 263 CA LEU A 267 -18.328 35.225 26.578 1.00 24.10 C ATOM 264 CA CYS A 268 -17.733 34.831 22.817 1.00 26.30 C ATOM 265 CA THR A 269 -18.988 38.296 22.745 1.00 28.90 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. |