LigRMSD: A web server for automatic structure matching and RMSD calculations among identical and similar compounds in protein-ligand docking
3D viewer superposition
Results
| RMSD | Percent of ref match | Percent of molecule match |
|---|---|---|
|
0.71
|
97.37
|
92.50
|
Visualization
| Reference | Molecule |
|
|
|
| Line Number | Reference D0W_From_6f9r Elements | X | Y | Z | Molecule D0Z_From_6f9v Elements | X | Y | Z |
|---|---|---|---|---|---|---|---|---|
| 1 | C | -7.868 | -17.755 | -26.164 | C | -7.906 | -17.009 | -23.053 |
| 2 | C | -6.836 | -17.428 | -25.081 | S | -7.399 | -17.931 | -24.468 |
| 3 | O | -6.598 | -16.303 | -24.789 | O | -6.953 | -17.095 | -25.567 |
| 4 | N | -6.147 | -18.511 | -24.404 | N | -6.083 | -18.963 | -24.075 |
| 5 | C | -5.158 | -18.227 | -23.383 | C | -5.114 | -18.417 | -23.149 |
| 6 | C | -4.71 | -19.545 | -22.748 | C | -4.548 | -19.623 | -22.388 |
| 7 | C | -5.827 | -20.217 | -21.958 | C | -5.743 | -20.263 | -21.643 |
| 8 | O | -6.465 | -19.552 | -21.101 | C | -5.289 | -20.959 | -20.383 |
| 9 | C | -3.955 | -17.565 | -24.055 | C | -4.031 | -17.73 | -23.972 |
| 10 | N | -3.36 | -16.324 | -23.56 | N | -3.362 | -16.569 | -23.405 |
| 11 | C | -2.224 | -15.753 | -24.26 | C | -2.315 | -15.89 | -24.151 |
| 12 | C | -0.964 | -15.715 | -23.379 | C | -1.063 | -15.833 | -23.27 |
| 13 | C | -0.688 | -17.094 | -22.778 | C | -0.775 | -17.211 | -22.696 |
| 14 | O | -0.545 | -18.126 | -23.496 | O | -0.552 | -18.192 | -23.441 |
| 15 | O | -0.598 | -17.238 | -21.533 | O | -0.679 | -17.397 | -21.459 |
| 16 | C | 0.175 | -15.268 | -24.296 | C | 0.072 | -15.337 | -24.194 |
| 17 | C | 1.551 | -15.136 | -23.636 | C | 1.446 | -15.215 | -23.498 |
| 18 | C | 2.519 | -14.46 | -24.746 | C | 2.464 | -14.418 | -24.573 |
| 19 | C | 3.689 | -15.497 | -24.954 | C | 3.392 | -15.375 | -24.988 |
| 20 | C | 3.701 | -16.314 | -23.822 | C | 3.558 | -16.344 | -23.718 |
| 21 | C | 2.109 | -16.373 | -23.327 | C | 2.038 | -16.482 | -23.219 |
| 22 | C | 1.585 | -14.119 | -22.481 | C | 1.376 | -14.22 | -22.33 |
| 23 | O | 0.856 | -13.166 | -22.479 | O | 0.659 | -13.247 | -22.265 |
| 24 | N | 2.552 | -14.333 | -21.458 | N | 2.351 | -14.414 | -21.286 |
| 25 | C | 2.714 | -13.386 | -20.371 | C | 2.526 | -13.461 | -20.199 |
| 26 | C | 3.636 | -13.911 | -19.275 | C | 3.495 | -13.979 | -19.111 |
| 27 | C | 4.661 | -14.961 | -19.722 | C | 4.575 | -14.958 | -19.597 |
| 28 | C | 4.322 | -16.295 | -19.669 | C | 4.274 | -16.305 | -19.53 |
| 29 | C | 5.239 | -17.251 | -20.068 | C | 5.236 | -17.237 | -19.914 |
| 30 | C | 6.496 | -16.877 | -20.511 | C | 6.46 | -16.787 | -20.361 |
| 31 | C | 6.848 | -15.532 | -20.559 | C | 6.753 | -15.433 | -20.411 |
| 32 | C | 5.919 | -14.572 | -20.169 | C | 5.798 | -14.494 | -20.022 |
| 33 | O | 7.397 | -17.883 | -20.899 | O | 7.446 | -17.729 | -20.757 |
| 34 | C | 3.318 | -12.149 | -21.011 | C | 3.182 | -12.249 | -20.852 |
| 35 | O | 3.966 | -12.247 | -22.098 | O | 3.817 | -12.344 | -21.987 |
| 36 | O | 3.173 | -11.028 | -20.459 | O | 3.103 | -11.132 | -20.279 |
| 37 | O | -3.491 | -18.096 | -25.001 | O | -3.72 | -18.162 | -25.032 |