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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 | 0.56 | 2hiwB | 0.381 | 2.70 | 0.426 | 0.407 | 0.99 | 7MP | complex1.pdb.gz | 376,384,396,398,413,417,420,426,440,442,443,444,445,448,496,506,507 |
| 2 | 0.24 | 2g2fB | 0.398 | 2.03 | 0.412 | 0.415 | 1.03 | ATG | complex2.pdb.gz | 376,396,443,444,445,448,493 |
| 3 | 0.06 | 2hz4C | 0.392 | 1.98 | 0.434 | 0.409 | 1.08 | 4ST | complex3.pdb.gz | 389,427,429 |
| 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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