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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 | 0.11 | 1jppB | 0.619 | 4.17 | 0.097 | 0.755 | 0.79 | III | complex1.pdb.gz | 27,74,77,81,116,120,123,129,162 |
| 2 | 0.10 | 1ee4B | 0.560 | 5.37 | 0.087 | 0.757 | 0.99 | III | complex2.pdb.gz | 80,81,86,116,119,120,155,158 |
| 3 | 0.09 | 1iq1C | 0.558 | 5.23 | 0.100 | 0.751 | 0.78 | III | complex3.pdb.gz | 73,77,80,81,82,86,113,116,120,123,157,202 |
| 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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