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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 | 0.18 | 1bfcA | 0.577 | 0.89 | 0.366 | 0.591 | 1.45 | UUU | complex1.pdb.gz | 85,86,181,182,187,196,197,198 |
| 2 | 0.18 | 1e0o2 | 0.598 | 1.12 | 0.341 | 0.620 | 1.36 | III | complex2.pdb.gz | 83,86,87,89,102,104,154,156,157,158,160,161,162,202 |
| 3 | 0.16 | 1hknC | 0.591 | 1.21 | 0.336 | 0.615 | 1.12 | N2M | complex3.pdb.gz | 183,187,195,196,197,198 |
| 4 | 0.10 | 1iil0 | 0.610 | 1.30 | 0.346 | 0.635 | 1.39 | III | complex4.pdb.gz | 83,85,89,102,113,114,115,116,117,118,121,122,131,146,154,156,157,159,160,161,162,202,204 |
| 5 | 0.07 | 1ihk0 | 0.637 | 1.75 | 0.404 | 0.673 | 1.25 | III | complex5.pdb.gz | 80,83,85,89,104,159,160,202,203,204,205,206 |
| 6 | 0.05 | 1e0oC | 0.598 | 1.12 | 0.341 | 0.620 | 0.91 | UUU | complex6.pdb.gz | 177,182,187,190,191 |
| 7 | 0.05 | 1rmlA | 0.536 | 2.45 | 0.341 | 0.620 | 0.98 | NTS | complex7.pdb.gz | 91,93,94,107,108,109,110 |
| 8 | 0.04 | 3aj5B | 0.581 | 2.88 | 0.082 | 0.688 | 0.87 | NGA | complex8.pdb.gz | 180,181,182,186,188,193,196,198 |
| 9 | 0.02 | 3ah1A | 0.580 | 2.84 | 0.082 | 0.683 | 0.95 | SLB | complex9.pdb.gz | 133,134,135,142,149 |
| 10 | 0.02 | 1f31A | 0.576 | 4.10 | 0.058 | 0.779 | 0.84 | UUU | complex10.pdb.gz | 134,135,141,143,145 |
| 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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