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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 | 0.80 | 2bkxA | 0.965 | 0.76 | 0.423 | 0.980 | 1.57 | F6R | Download | 35,36,37,38,39,66,67,129,130,135,137,164,199 |
| 2 | 0.63 | 2bkvA | 0.961 | 0.73 | 0.424 | 0.975 | 1.51 | PGA | Download | 37,38,39,130,135,199 |
| 3 | 0.61 | 2wu1A | 0.989 | 0.61 | 0.373 | 1.000 | 1.57 | FGS | Download | 38,39,130,131,132,135,138,158,161,162,164,199 |
| 4 | 0.60 | 1ne7C | 0.989 | 0.62 | 0.381 | 1.000 | 1.38 | AGP | Download | 37,38,39,40,80,135,138,158,162,199 |
| 5 | 0.54 | 1deaA | 0.989 | 0.63 | 0.373 | 1.000 | 0.90 | PO4 | Download | 37,38,39,165 |
| 6 | 0.35 | 3eb9B | 0.826 | 2.11 | 0.207 | 0.910 | 1.04 | FLC | Download | 69,129,135,137,176 |
| 7 | 0.08 | 1ne7A | 0.987 | 0.69 | 0.381 | 1.000 | 1.19 | 16G | Download | 143,144,150,151,152,153,175 |
| 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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