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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 | 0.03 | 1ic20 | 0.414 | 2.45 | 0.127 | 0.503 | 0.89 | III | complex1.pdb.gz | 31,34,35,38,41,42,45,46,48,49,52,53,55,56,59,62,63,66,67,69,70,73,77,80,84 |
| 2 | 0.01 | 1w7j3 | 0.315 | 2.84 | 0.067 | 0.387 | 0.54 | III | complex2.pdb.gz | 55,56,58,59,60,61,62,63,64,65,66,67,68,69,71,72,75,78,79 |
| 3 | 0.01 | 2w6dB | 0.525 | 3.64 | 0.046 | 0.755 | 0.55 | CPL | complex3.pdb.gz | 41,42,44 |
| 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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