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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 | 0.01 | 2vraA | 0.414 | 2.33 | 0.149 | 0.451 | 0.43 | UUU | complex1.pdb.gz | 64,109,111,112,128 |
| 2 | 0.01 | 1epf0 | 0.362 | 3.57 | 0.127 | 0.432 | 0.55 | III | complex2.pdb.gz | 43,45,46,103,135 |
| 3 | 0.01 | 1e6o0 | 0.270 | 3.44 | 0.046 | 0.315 | 0.45 | III | complex3.pdb.gz | 72,83,84,85,86,114,125,126,127 |
| 4 | 0.01 | 1f3dH | 0.299 | 5.21 | 0.046 | 0.422 | 0.69 | TPM | complex4.pdb.gz | 64,112,127,129 |
| 5 | 0.01 | 1pvh0 | 0.317 | 4.92 | 0.076 | 0.438 | 0.67 | III | complex5.pdb.gz | 63,64,65,72,111,112,114,127,129 |
| 6 | 0.01 | 3lafA | 0.388 | 4.98 | 0.108 | 0.526 | 0.52 | UUU | complex6.pdb.gz | 62,64,109,111 |
| 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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