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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 | 0.29 | 1n0sA | 0.747 | 2.46 | 0.274 | 0.857 | 0.95 | FLU | complex1.pdb.gz | 42,48,66,78,90,107,116,118,147 |
| 2 | 0.26 | 1bbpA | 0.762 | 2.36 | 0.297 | 0.868 | 0.88 | BLV | complex2.pdb.gz | 48,55,56,63,64,78,79,80,90,118,133,145,147,149 |
| 3 | 0.24 | 2wq9A | 0.726 | 2.45 | 0.230 | 0.836 | 0.83 | OLA | complex3.pdb.gz | 56,57,66,76,78,90,91,92,107,109,118,131,147,149 |
| 4 | 0.18 | 1epbA | 0.661 | 2.79 | 0.208 | 0.778 | 0.90 | REA | complex4.pdb.gz | 39,42,46,77,116,118,120,129,131,133,147,149 |
| 5 | 0.05 | 1gkaA | 0.804 | 1.96 | 0.256 | 0.889 | 0.96 | AXT | complex5.pdb.gz | 23,56,57,64,79,107,109,116,133,141,145,147,149 |
| 6 | 0.05 | 1obq0 | 0.810 | 1.99 | 0.254 | 0.894 | 0.84 | III | complex6.pdb.gz | 54,55,56,57,91,92,93,108,109,110,111,112,113,115,117,135 |
| 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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