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 |
|---|---|---|
|
1.45
|
66.67
|
60.00
|
Visualization
| Reference | Molecule |
|
|
|
| Line Number | Reference 1t4v_reference Elements | X | Y | Z | Molecule 3ldx_docking Elements | X | Y | Z |
|---|---|---|---|---|---|---|---|---|
| 1 | N | 10.221 | -12.942 | 24.494 | C | 10.6959 | -12.4603 | 24.2869 |
| 2 | C | 11.038 | -11.963 | 24.139 | N | 11.3377 | -12.9332 | 23.206 |
| 3 | N | 11.95 | -12.18 | 23.223 | O | 11.7553 | -11.8999 | 22.3496 |
| 4 | O | 12.932 | -11.315 | 22.941 | C | 13.1668 | -11.8391 | 22.3097 |
| 5 | C | 12.875 | -10.733 | 21.619 | C | 13.6365 | -11.632 | 20.8697 |
| 6 | C | 13.439 | -11.716 | 20.568 | N | 15.0895 | -11.6131 | 20.8875 |
| 7 | C | 14.937 | -11.908 | 20.676 | C | 15.897 | -12.5433 | 20.3687 |
| 8 | O | 15.153 | -12.945 | 21.627 | C | 17.3644 | -12.4483 | 20.8022 |
| 9 | C | 16.431 | -13.482 | 21.642 | N | 17.9147 | -13.6689 | 21.4482 |
| 10 | C | 17.466 | -12.973 | 20.841 | C | 19.1983 | -14.1687 | 21.1188 |
| 11 | C | 18.75 | -13.569 | 20.911 | C | 19.7184 | -15.2767 | 21.6872 |
| 12 | C | 18.968 | -14.625 | 21.74 | N | 19.0695 | -15.9117 | 22.5679 |
| 13 | C | 17.968 | -15.109 | 22.525 | C | 17.9601 | -15.5042 | 23.0395 |
| 14 | C | 16.701 | -14.566 | 22.486 | C | 17.2506 | -14.3091 | 22.4485 |
| 15 | C | 18.257 | -16.27 | 23.398 | N | 17.3714 | -16.1155 | 24.0867 |
| 16 | N | 19.256 | -16.348 | 24.308 | C | 17.9267 | -17.2404 | 24.8582 |
| 17 | C | 19.299 | -17.503 | 25.269 | C | 18.5644 | -16.7772 | 26.1838 |
| 18 | C | 18.034 | -17.851 | 26.068 | F | 18.9069 | -17.8665 | 26.8724 |