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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 | 0.06 | 1h2uY | 0.508 | 2.01 | 0.221 | 0.552 | 0.82 | UUU | complex1.pdb.gz | 17,54,83,85,86,87,94,96,97,98 |
| 2 | 0.04 | 1h2v1 | 0.389 | 1.31 | 0.256 | 0.407 | 1.35 | III | complex2.pdb.gz | 24,27,28,29,31,32,33,36,60,70,71,73,75,76,78,79 |
| 3 | 0.01 | 3aawA | 0.451 | 4.76 | 0.082 | 0.670 | 0.53 | THR | complex3.pdb.gz | 152,160,161,162 |
| 4 | 0.01 | 3ab4C | 0.455 | 4.68 | 0.066 | 0.665 | 0.57 | THR | complex4.pdb.gz | 117,146,147,148,177 |
| 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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