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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 | 0.01 | 1t01A | 0.320 | 5.56 | 0.060 | 0.493 | 0.19 | III | complex1.pdb.gz | 223,227,230,234,238,239 |
| 2 | 0.01 | 2o9jA | 0.445 | 5.39 | 0.037 | 0.683 | 0.16 | CZA | complex2.pdb.gz | 24,25,45,49 |
| 3 | 0.01 | 1zw3A | 0.311 | 5.59 | 0.048 | 0.482 | 0.17 | III | complex3.pdb.gz | 222,225,229,233,236 |
| 4 | 0.01 | 2easA | 0.451 | 5.28 | 0.045 | 0.683 | 0.14 | CZA | complex4.pdb.gz | 25,75,77,78 |
| 5 | 0.01 | 3tj6A | 0.304 | 5.99 | 0.072 | 0.496 | 0.21 | III | complex5.pdb.gz | 14,20,24,27,30,45 |
| 6 | 0.01 | 3rf3A | 0.327 | 5.63 | 0.047 | 0.507 | 0.21 | III | complex6.pdb.gz | 220,224,227,228,231,234,235,238 |
| 7 | 0.01 | 3tj5A | 0.317 | 5.66 | 0.047 | 0.496 | 0.13 | III | complex7.pdb.gz | 79,235,238 |
| 8 | 0.01 | 2ibfA | 0.315 | 5.72 | 0.045 | 0.496 | 0.15 | III | complex8.pdb.gz | 7,8,9,10,12,13,16,20,21,24 |
| 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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