 |
| home | start a new run | job status | references&downloads | examples | help |
Should you encounter any unexpected behaviour,
|
*** ***elNémo ID: 240415002639235721Job options:ID = 240415002639235721 JOBID = USERID = unknown PRIVAT = 0 NMODES = 10 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = -1 CUTOFF = 10 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 VAL A 97 167.427 -40.118-274.218 1.00 59.55 C ATOM 2 CA PRO A 98 169.595 -37.123-273.217 1.00 52.98 C ATOM 3 CA SER A 99 173.066 -38.057-272.033 1.00 49.09 C ATOM 4 CA GLN A 100 173.848 -37.188-268.416 1.00 46.28 C ATOM 5 CA LYS A 101 177.615 -37.532-268.773 1.00 44.45 C ATOM 6 CA THR A 102 179.783 -34.569-267.765 1.00 33.19 C ATOM 7 CA TYR A 103 181.351 -32.767-270.764 1.00 23.34 C ATOM 8 CA GLN A 104 183.416 -29.710-269.911 1.00 25.86 C ATOM 9 CA GLY A 105 184.192 -29.219-273.561 1.00 25.87 C ATOM 10 CA SER A 106 186.358 -26.465-274.996 1.00 30.48 C ATOM 11 CA TYR A 107 185.254 -23.689-272.629 1.00 28.31 C ATOM 12 CA GLY A 108 185.664 -25.707-269.443 1.00 28.50 C ATOM 13 CA PHE A 109 181.967 -25.645-268.507 1.00 25.78 C ATOM 14 CA ARG A 110 180.875 -26.860-265.054 1.00 24.69 C ATOM 15 CA LEU A 111 178.208 -26.034-262.466 1.00 19.89 C ATOM 16 CA GLY A 112 178.597 -24.518-259.021 1.00 25.56 C ATOM 17 CA PHE A 113 175.958 -24.435-256.290 1.00 25.78 C ATOM 18 CA LEU A 114 174.912 -22.159-253.432 1.00 51.85 C ATOM 19 CA HIS A 115 173.257 -22.957-250.105 1.00 62.73 C ATOM 20 CA SER A 116 170.053 -20.888-250.020 1.00 59.16 C ATOM 21 CA SER A 121 164.543 -22.741-242.860 1.00 61.78 C ATOM 22 CA VAL A 122 166.456 -24.133-245.849 1.00 45.72 C ATOM 23 CA THR A 123 164.886 -23.574-249.261 1.00 40.88 C ATOM 24 CA CYS A 124 167.724 -25.000-251.376 1.00 27.68 C ATOM 25 CA THR A 125 170.797 -27.025-250.374 1.00 28.88 C ATOM 26 CA TYR A 126 173.362 -28.949-252.422 1.00 21.68 C ATOM 27 CA SER A 127 175.081 -32.175-251.374 1.00 24.58 C ATOM 28 CA PRO A 128 178.488 -32.621-253.010 1.00 27.77 C ATOM 29 CA ALA A 129 178.652 -36.200-251.700 1.00 31.15 C ATOM 30 CA LEU A 130 175.488 -37.168-253.528 1.00 28.00 C ATOM 31 CA ASN A 131 175.887 -34.606-256.399 1.00 24.28 C ATOM 32 CA LYS A 132 172.282 -33.857-255.455 1.00 21.61 C ATOM 33 CA MET A 133 170.275 -30.665-254.998 1.00 0.00 C ATOM 34 CA PHE A 134 167.490 -30.654-252.368 1.00 22.55 C ATOM 35 CA CYS A 135 164.956 -27.882-252.821 1.00 21.38 C ATOM 36 CA GLN A 136 161.496 -26.717-251.907 1.00 24.34 C ATOM 37 CA LEU A 137 158.681 -26.377-254.436 1.00 25.60 C ATOM 38 CA ALA A 138 158.763 -23.180-256.522 1.00 25.17 C ATOM 39 CA LYS A 139 161.617 -21.636-254.503 1.00 28.66 C ATOM 40 CA THR A 140 164.732 -19.968-255.911 1.00 26.32 C ATOM 41 CA CYS A 141 167.518 -22.410-256.770 1.00 23.64 C ATOM 42 CA PRO A 142 170.728 -20.480-257.657 1.00 27.66 C ATOM 43 CA VAL A 143 172.841 -22.520-260.091 1.00 19.26 C ATOM 44 CA GLN A 144 176.215 -21.084-261.076 1.00 21.52 C ATOM 45 CA LEU A 145 177.733 -21.458-264.529 1.00 21.34 C ATOM 46 CA TRP A 146 181.531 -21.476-264.561 1.00 26.79 C ATOM 47 CA VAL A 147 183.736 -21.474-267.684 1.00 25.83 C ATOM 48 CA ASP A 148 187.481 -21.136-268.144 1.00 36.05 C ATOM 49 CA SER A 149 186.941 -19.162-271.383 1.00 39.25 C ATOM 50 CA THR A 150 183.997 -17.055-272.526 1.00 36.91 C ATOM 51 CA PRO A 151 181.859 -18.891-275.084 1.00 32.73 C ATOM 52 CA PRO A 152 180.837 -17.259-278.417 1.00 39.04 C ATOM 53 CA PRO A 153 178.020 -14.669-278.589 1.00 40.08 C ATOM 54 CA GLY A 154 174.688 -16.382-279.138 1.00 29.92 C ATOM 55 CA THR A 155 175.645 -19.243-276.772 1.00 22.97 C ATOM 56 CA ARG A 156 172.631 -20.619-274.871 1.00 18.61 C ATOM 57 CA VAL A 157 172.029 -22.577-271.648 1.00 17.42 C ATOM 58 CA ARG A 158 169.381 -25.297-271.559 1.00 15.84 C ATOM 59 CA ALA A 159 167.989 -27.066-268.507 1.00 16.58 C ATOM 60 CA MET A 160 166.123 -30.364-268.854 1.00 19.18 C ATOM 61 CA ALA A 161 165.007 -33.085-266.415 1.00 18.28 C ATOM 62 CA ILE A 162 165.230 -36.868-267.021 1.00 18.26 C ATOM 63 CA TYR A 163 164.757 -39.959-264.883 1.00 25.57 C ATOM 64 CA LYS A 164 168.015 -41.250-263.415 1.00 27.16 C ATOM 65 CA GLN A 165 167.209 -44.978-263.637 1.00 38.81 C ATOM 66 CA SER A 166 167.902 -46.534-267.037 1.00 42.69 C ATOM 67 CA GLN A 167 164.608 -48.466-266.862 1.00 46.33 C ATOM 68 CA HIS A 168 162.607 -45.230-266.881 1.00 35.04 C ATOM 69 CA MET A 169 164.835 -42.949-268.910 1.00 34.99 C ATOM 70 CA THR A 170 162.439 -43.009-271.866 1.00 33.77 C ATOM 71 CA GLU A 171 159.646 -41.500-269.745 1.00 28.63 C ATOM 72 CA VAL A 172 159.159 -37.742-270.045 1.00 24.51 C ATOM 73 CA VAL A 173 159.575 -35.805-266.795 1.00 20.56 C ATOM 74 CA ARG A 174 156.567 -33.527-266.347 1.00 26.65 C ATOM 75 CA ARG A 175 154.370 -32.109-263.648 1.00 21.60 C ATOM 76 CA CYS A 176 151.631 -34.187-262.056 1.00 30.62 C ATOM 77 CA PRO A 177 147.945 -33.476-262.905 1.00 37.81 C ATOM 78 CA HIS A 178 147.424 -31.651-259.633 1.00 39.09 C ATOM 79 CA HIS A 179 150.354 -29.265-260.133 1.00 36.34 C ATOM 80 CA GLU A 180 149.879 -28.552-263.816 1.00 54.32 C ATOM 81 CA ARG A 181 146.970 -26.523-262.463 1.00 63.84 C ATOM 82 CA ASP A 186 153.762 -16.438-264.782 1.00 55.64 C ATOM 83 CA GLY A 187 152.099 -16.669-268.183 1.00 48.40 C ATOM 84 CA LEU A 188 155.455 -17.796-269.548 1.00 43.00 C ATOM 85 CA ALA A 189 156.157 -21.402-268.539 1.00 35.38 C ATOM 86 CA PRO A 190 153.704 -24.018-269.830 1.00 29.85 C ATOM 87 CA PRO A 191 151.856 -25.649-266.919 1.00 28.19 C ATOM 88 CA GLN A 192 153.345 -29.065-267.840 1.00 24.04 C ATOM 89 CA HIS A 193 156.985 -27.969-267.414 1.00 18.18 C ATOM 90 CA LEU A 194 158.795 -29.016-264.215 1.00 19.24 C ATOM 91 CA ILE A 195 161.608 -26.479-264.539 1.00 18.82 C ATOM 92 CA ARG A 196 161.058 -22.764-264.734 1.00 18.12 C ATOM 93 CA VAL A 197 163.617 -19.967-264.816 1.00 21.94 C ATOM 94 CA GLU A 198 163.023 -16.985-262.536 1.00 27.92 C ATOM 95 CA GLY A 199 164.169 -13.437-263.275 1.00 30.52 C ATOM 96 CA ASN A 200 165.197 -13.804-266.915 1.00 30.48 C ATOM 97 CA LEU A 201 163.407 -11.805-269.604 1.00 21.68 C ATOM 98 CA ARG A 202 164.581 -14.156-272.353 1.00 19.03 C ATOM 99 CA VAL A 203 163.581 -17.628-271.171 1.00 0.00 C ATOM 100 CA GLU A 204 162.267 -19.950-273.866 1.00 17.82 C ATOM 101 CA TYR A 205 160.091 -22.936-272.958 1.00 23.02 C ATOM 102 CA LEU A 206 160.520 -25.710-275.472 1.00 20.19 C ATOM 103 CA ASP A 207 158.863 -29.032-276.223 1.00 27.75 C ATOM 104 CA ASP A 208 160.891 -31.419-278.383 1.00 30.68 C ATOM 105 CA ARG A 209 158.877 -32.391-281.462 1.00 42.17 C ATOM 106 CA ASN A 210 160.196 -35.952-281.489 1.00 43.44 C ATOM 107 CA THR A 211 160.802 -36.841-277.820 1.00 30.12 C ATOM 108 CA PHE A 212 158.148 -34.601-276.274 1.00 26.23 C ATOM 109 CA ARG A 213 160.706 -33.659-273.586 1.00 21.55 C ATOM 110 CA HIS A 214 160.471 -30.206-272.041 1.00 19.86 C ATOM 111 CA SER A 215 163.290 -27.755-271.492 1.00 15.03 C ATOM 112 CA VAL A 216 163.896 -24.102-270.706 1.00 16.28 C ATOM 113 CA VAL A 217 166.662 -22.106-272.370 1.00 15.29 C ATOM 114 CA VAL A 218 168.151 -18.694-271.654 1.00 22.95 C ATOM 115 CA PRO A 219 170.970 -16.897-273.431 1.00 21.25 C ATOM 116 CA TYR A 220 174.380 -17.405-271.850 1.00 15.95 C ATOM 117 CA GLU A 221 175.524 -14.121-270.271 1.00 33.37 C ATOM 118 CA PRO A 222 179.086 -13.431-269.092 1.00 31.65 C ATOM 119 CA PRO A 223 179.475 -12.788-265.342 1.00 28.30 C ATOM 120 CA GLU A 224 178.246 -9.300-264.541 1.00 39.45 C ATOM 121 CA VAL A 225 180.443 -6.633-262.962 1.00 28.69 C ATOM 122 CA GLY A 226 181.291 -7.793-259.478 1.00 40.02 C ATOM 123 CA SER A 227 180.955 -11.563-260.101 1.00 39.30 C ATOM 124 CA ASP A 228 183.177 -14.438-261.247 1.00 38.45 C ATOM 125 CA CYS A 229 180.367 -16.643-262.472 1.00 30.74 C ATOM 126 CA THR A 230 176.971 -16.439-264.125 1.00 30.30 C ATOM 127 CA THR A 231 174.022 -17.448-261.996 1.00 28.08 C ATOM 128 CA ILE A 232 170.691 -18.794-263.142 1.00 21.55 C ATOM 129 CA HIS A 233 167.693 -19.013-260.844 1.00 23.67 C ATOM 130 CA TYR A 234 165.632 -22.146-261.397 1.00 20.15 C ATOM 131 CA ASN A 235 162.312 -23.120-259.852 1.00 19.69 C ATOM 132 CA TYR A 236 161.040 -26.735-259.670 1.00 18.86 C ATOM 133 CA MET A 237 157.229 -26.880-259.929 1.00 25.01 C ATOM 134 CA ACYS A 238 156.388 -30.391-258.750 0.70 24.06 C ATOM 135 CA BCYS A 238 156.458 -30.381-258.715 0.30 26.21 C ATOM 136 CA ASN A 239 157.594 -32.640-255.858 1.00 0.00 C ATOM 137 CA SER A 240 159.719 -35.700-256.354 1.00 25.15 C ATOM 138 CA SER A 241 157.005 -37.583-254.441 1.00 36.51 C ATOM 139 CA CYS A 242 154.513 -36.588-257.165 1.00 39.88 C ATOM 140 CA MET A 243 156.875 -37.780-259.934 1.00 43.65 C ATOM 141 CA GLY A 244 158.759 -40.706-258.401 1.00 51.10 C ATOM 142 CA GLY A 245 156.147 -43.441-258.073 1.00 58.12 C ATOM 143 CA MET A 246 156.291 -46.234-255.483 1.00 69.17 C ATOM 144 CA ASN A 247 160.079 -46.621-255.253 1.00 69.49 C ATOM 145 CA ARG A 248 160.936 -42.910-255.459 1.00 65.89 C ATOM 146 CA ARG A 249 162.529 -42.779-258.917 1.00 0.00 C ATOM 147 CA PRO A 250 164.999 -39.916-258.781 1.00 35.50 C ATOM 148 CA ILE A 251 165.366 -37.313-261.519 1.00 21.71 C ATOM 149 CA LEU A 252 168.457 -35.553-262.839 1.00 22.51 C ATOM 150 CA THR A 253 168.644 -32.011-264.152 1.00 19.32 C ATOM 151 CA ILE A 254 170.895 -31.758-267.187 1.00 17.12 C ATOM 152 CA ILE A 255 172.379 -28.351-268.047 1.00 16.71 C ATOM 153 CA THR A 256 173.841 -27.886-271.493 1.00 16.99 C ATOM 154 CA LEU A 257 175.792 -24.982-272.940 1.00 19.47 C ATOM 155 CA GLU A 258 174.886 -24.778-276.647 1.00 18.19 C ATOM 156 CA ASP A 259 175.727 -22.643-279.671 1.00 25.99 C ATOM 157 CA SER A 260 173.058 -20.670-281.544 1.00 36.87 C ATOM 158 CA SER A 261 172.174 -23.774-283.576 1.00 34.39 C ATOM 159 CA GLY A 262 171.702 -26.082-280.617 1.00 30.56 C ATOM 160 CA ASN A 263 175.105 -27.793-280.934 1.00 28.45 C ATOM 161 CA LEU A 264 176.540 -29.113-277.696 1.00 18.81 C ATOM 162 CA LEU A 265 179.421 -27.078-276.210 1.00 18.93 C ATOM 163 CA GLY A 266 179.383 -28.450-272.666 1.00 18.64 C ATOM 164 CA ARG A 267 177.219 -30.364-270.195 1.00 18.79 C ATOM 165 CA ASN A 268 176.929 -30.958-266.480 1.00 0.00 C ATOM 166 CA SER A 269 174.218 -32.478-264.369 1.00 19.49 C ATOM 167 CA PHE A 270 172.946 -33.177-260.890 1.00 21.79 C ATOM 168 CA GLU A 271 170.313 -35.237-259.142 1.00 21.66 C ATOM 169 CA VAL A 272 167.485 -33.195-257.721 1.00 19.71 C ATOM 170 CA ARG A 273 164.955 -33.929-255.001 1.00 23.52 C ATOM 171 CA VAL A 274 162.121 -31.427-254.786 1.00 17.15 C ATOM 172 CA CYS A 275 160.740 -31.770-251.274 1.00 25.23 C ATOM 173 CA ALA A 276 159.164 -30.072-248.277 1.00 29.69 C ATOM 174 CA CYS A 277 162.207 -30.352-246.006 1.00 32.96 C ATOM 175 CA PRO A 278 165.416 -30.032-248.092 1.00 29.62 C ATOM 176 CA GLY A 279 167.661 -29.728-245.061 1.00 31.74 C ATOM 177 CA ARG A 280 166.235 -32.749-243.296 1.00 34.15 C ATOM 178 CA ASP A 281 166.067 -34.912-246.407 1.00 27.57 C ATOM 179 CA ARG A 282 169.682 -34.193-247.307 1.00 25.98 C ATOM 180 CA ARG A 283 170.808 -35.254-243.840 1.00 35.21 C ATOM 181 CA THR A 284 168.755 -38.415-244.012 1.00 35.72 C ATOM 182 CA GLU A 285 170.194 -39.340-247.394 1.00 29.63 C ATOM 183 CA GLU A 286 173.777 -38.475-246.488 1.00 31.65 C ATOM 184 CA GLU A 287 173.235 -40.374-243.244 1.00 49.81 C ATOM 185 CA ASN A 288 172.105 -43.446-245.183 1.00 54.86 C ATOM 186 CA LEU A 289 175.118 -42.967-247.429 1.00 62.05 C ATOM 187 CA ARG A 290 176.924 -44.089-244.284 1.00 71.30 C ATOM 188 ZN ZN A1291 153.063 -32.423-258.360 1.00 32.01 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. |