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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 | 0.78 | 2oklA | 0.894 | 0.99 | 0.386 | 0.920 | 1.55 | BB2 | Download | 72,73,74,75,76,81,120,123,124,125,126,127,166,167,170,171,174 |
| 2 | 0.69 | 3g6nA | 0.887 | 1.18 | 0.361 | 0.915 | 1.55 | III | Download | 73,75,76,124,125,126,127,170 |
| 3 | 0.58 | 2aieP | 0.949 | 1.11 | 0.325 | 0.970 | 1.49 | SB9 | Download | 75,76,81,120,124,126,127,163,170,171,174 |
| 4 | 0.46 | 3g6nB | 0.888 | 1.17 | 0.361 | 0.915 | 1.19 | FE | Download | 126,170,171,174 |
| 5 | 0.38 | 1y6hB | 0.702 | 2.41 | 0.262 | 0.800 | 0.96 | GLY | Download | 75,124,163,167,170,171 |
| 6 | 0.31 | 1icjB | 0.681 | 2.15 | 0.224 | 0.745 | 1.03 | 2PE | Download | 74,75,123,124,125,127,167 |
| 7 | 0.05 | 1y6h0 | 0.702 | 2.19 | 0.250 | 0.790 | 0.84 | III | Download | 20,21,22,23,24,27,128,129,130,132,181,182 |
| 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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