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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 | 1j19A | 0.210 | 6.66 | 0.017 | 0.325 | 0.23 | III | complex1.pdb.gz | 79,84,86,94,95,394 |
| 2 | 0.01 | 2emtA | 0.182 | 6.95 | 0.020 | 0.289 | 0.31 | III | complex2.pdb.gz | 306,309,313,316 |
| 3 | 0.01 | 2yvcA | 0.197 | 6.34 | 0.034 | 0.300 | 0.23 | III | complex3.pdb.gz | 85,86,390 |
| 4 | 0.01 | 2emtB | 0.175 | 6.68 | 0.069 | 0.265 | 0.12 | III | complex4.pdb.gz | 82,83,85,89,90,91 |
| 5 | 0.01 | 2d10C | 0.187 | 6.78 | 0.055 | 0.293 | 0.11 | III | complex5.pdb.gz | 74,97,101 |
| 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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