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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 | 0.20 | 3t3nA | 0.872 | 2.33 | 0.256 | 0.926 | 1.02 | QNA | Download | 15,37,46,72,73,227,228,229,253,254,255,293,295,296,298,305,329,332,358,359,360,361,362 |
| 2 | 0.02 | 3iemB | 0.586 | 3.34 | 0.127 | 0.660 | 0.72 | SSU | Download | 5,7,22,52,53,54,55,56,59,84,413 |
| 3 | 0.01 | 2cbn0 | 0.364 | 3.02 | 0.140 | 0.403 | 0.68 | III | Download | 53,70,71,76,77,79,80,97,98,104,105,106 |
| 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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