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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 | 0.07 | 1h030 | 0.889 | 0.93 | 0.323 | 0.969 | 0.90 | III | complex1.pdb.gz | 36,38,39,48,53,54,55,57 |
| 2 | 0.06 | 1cklD | 0.863 | 1.14 | 0.286 | 0.984 | 0.63 | UUU | complex2.pdb.gz | 12,34,35,36 |
| 3 | 0.05 | 1ridA | 0.629 | 2.65 | 0.274 | 0.969 | 1.35 | UUU | complex3.pdb.gz | 30,31,32,33,34,35,36,63 |
| 4 | 0.05 | 1q3xB | 0.724 | 1.30 | 0.273 | 0.859 | 0.74 | NA | complex4.pdb.gz | 28,39,40,43,57 |
| 5 | 0.04 | 1elvA | 0.780 | 1.54 | 0.217 | 0.938 | 0.51 | UUU | complex5.pdb.gz | 10,12,14,39 |
| 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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