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Template proteins with similar binding site:
Click to view | Rank | CscoreLB | PDB Hit | TM-score | RMSDa | IDENa | Cov. | BS-score | Lig. Name | Download Complex | Predicted binding site residues |
| 1 | 0.01 | 3gcmC | 0.509 | 4.19 | 0.098 | 0.871 | 0.28 | III | Download | 39,48,50 |
| 2 | 0.01 | 3h1cO | 0.502 | 4.31 | 0.095 | 0.871 | 0.27 | WO4 | Download | 48,50,51 |
| 3 | 0.01 | 3h1cA | 0.493 | 4.05 | 0.036 | 0.871 | 0.11 | WO4 | Download | 49,63,70 |
| 4 | 0.01 | 3gcmB | 0.494 | 4.09 | 0.036 | 0.882 | 0.22 | III | Download | 27,29,51,53 |
| 5 | 0.01 | 3h1cK | 0.488 | 4.16 | 0.024 | 0.882 | 0.38 | III | Download | 38,40,50 |
| 6 | 0.01 | 3h1cG | 0.499 | 4.18 | 0.024 | 0.892 | 0.24 | III | Download | 50,52,55 |
| 7 | 0.01 | 3h1cX | 0.489 | 4.15 | 0.036 | 0.882 | 0.21 | WO4 | Download | 50,51,52 |
| 8 | 0.01 | 3h1cT | 0.500 | 3.76 | 0.051 | 0.850 | 0.29 | III | Download | 29,31,39,41,42 |
| 9 | 0.01 | 3gcmA | 0.491 | 3.62 | 0.051 | 0.828 | 0.16 | III | Download | 52,54,57 |
| 10 | 0.01 | 3h1cC | 0.498 | 3.56 | 0.079 | 0.817 | 0.17 | III | Download | 31,33,48,50,52 |
| Click on the radio buttons to visualize predicted binding site and residues. |
(a) | CscoreLB is the confidence score of predicted binding site. CscoreLB values range in between [0-1]; where a higher score indicates a more reliable ligand-binding site prediction. |
(b) | BS-score is a measure of local similarity (sequence & structure) between template binding site and predicted binding site in the query structure. Based on large scale benchmarking analysis, we have observed that a BS-score >1 reflects a significant local match between the predicted and template binding site.
| (c) | TM-score is a measure of global structural similarity between query and template protein. |
(d) | RMSDa the RMSD between residues that are structurally aligned by TM-align. |
(e) | IDENa is the percentage sequence identity in the structurally aligned region. |
(f) | Cov. represents the coverage of global structural alignment and is equal to the number of structurally aligned residues divided by length of the query protein. |
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