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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 | 3q8wA | 0.393 | 6.94 | 0.034 | 0.585 | 0.12 | AZV | complex1.pdb.gz | 122,123,415,416 |
| 2 | 0.01 | 2oqvA | 0.391 | 6.98 | 0.030 | 0.585 | 0.10 | MA9 | complex2.pdb.gz | 143,416,442 |
| 3 | 0.01 | 1i2m1 | 0.413 | 4.21 | 0.103 | 0.484 | 0.36 | III | complex3.pdb.gz | 312,335,336,345,366,367,383,385,386,396,417,437,439 |
| 4 | 0.01 | 3h0cA | 0.396 | 6.88 | 0.028 | 0.583 | 0.11 | PS4 | complex4.pdb.gz | 130,226,227,253 |
| 5 | 0.01 | 2h640 | 0.095 | 5.35 | 0.070 | 0.126 | 0.28 | III | complex5.pdb.gz | 149,150,155,157,165,166,167 |
| 6 | 0.01 | 2h642 | 0.095 | 5.35 | 0.070 | 0.126 | 0.30 | III | complex6.pdb.gz | 146,149,150,151,153,155 |
| 7 | 0.01 | 3oc0A | 0.393 | 6.90 | 0.028 | 0.581 | 0.12 | B2Q | complex7.pdb.gz | 122,123,439 |
| 8 | 0.01 | 3c45A | 0.394 | 6.94 | 0.032 | 0.586 | 0.10 | 317 | complex8.pdb.gz | 252,270,306,307 |
| 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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