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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 | 0.39 | 1q4gA | 0.713 | 3.92 | 0.756 | 0.810 | 0.86 | UUU | complex1.pdb.gz | 201,202,205,206,209,210,211,290,293,294,384,386,387 |
| 2 | 0.11 | 1eqg0 | 0.711 | 4.00 | 0.736 | 0.810 | 0.94 | III | complex2.pdb.gz | 228,318,319,320,321,325,326,329,332,333,336 |
| 3 | 0.04 | 2e9eB | 0.760 | 2.52 | 0.184 | 0.808 | 0.71 | NO3 | complex3.pdb.gz | 114,115,377,378,379 |
| 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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