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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 | 0.12 | 1q8uA | 0.268 | 2.84 | 0.335 | 0.281 | 0.89 | III | complex1.pdb.gz | 746,789,791,795,830,831,832,849,910,911,912,913,915,942,946,947,948,951,952,953 |
| 2 | 0.05 | 3aglA | 0.267 | 2.71 | 0.333 | 0.280 | 1.15 | A03 | complex2.pdb.gz | 714,715,716,717,719,732,736,766,782,783,784,785,789,791,795,831,832,835,845,849,915,942,948,1039 |
| 3 | 0.04 | 2jdtA | 0.267 | 2.55 | 0.340 | 0.278 | 0.72 | I5S | complex3.pdb.gz | 783,784,785,789,832,833,835,845,846,1039 |
| 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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