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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 | 0.17 | 2a110 | 0.601 | 1.65 | 0.349 | 0.642 | 1.22 | III | Download | 40,41,42,44,48,49,52,55,56,59,60,62,63,65,67,70,71,74,126,127,131,135 |
| 2 | 0.12 | 2fflA | 0.594 | 3.58 | 0.178 | 0.728 | 1.66 | MN | Download | 43,47,116,119 |
| 3 | 0.05 | 2nugB | 0.571 | 2.00 | 0.185 | 0.625 | 1.12 | RQA | Download | 43,47,103,106,119 |
| 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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