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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 | 0.04 | 3rlbB | 0.579 | 2.65 | 0.152 | 0.676 | 0.70 | VIB | Download | 62,64,105,106,151,155,158,163,167 |
| 2 | 0.01 | 2wghB | 0.449 | 6.20 | 0.047 | 0.762 | 0.62 | DTP | Download | 42,43,44,83,84,87 |
| 3 | 0.01 | 1xvgA | 0.483 | 4.84 | 0.022 | 0.721 | 0.78 | BRJ | Download | 41,44,82,85,86 |
| 4 | 0.01 | 3hneB | 0.439 | 6.17 | 0.057 | 0.734 | 0.72 | TTP | Download | 69,71,74,75 |
| 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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