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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 | 0.19 | 1i5lA | 0.641 | 1.51 | 0.352 | 0.689 | 1.37 | URI | complex1.pdb.gz | 43,45,77,78 |
| 2 | 0.07 | 1m8vH | 0.622 | 1.80 | 0.296 | 0.689 | 1.14 | RQA | complex2.pdb.gz | 10,13,16,39,40,41 |
| 3 | 0.04 | 1b341 | 0.589 | 1.46 | 0.197 | 0.650 | 1.25 | III | complex3.pdb.gz | 31,38,39,40,41,45,46,49,53,69,72,73,74,75,76,77,79 |
| 4 | 0.04 | 1b340 | 0.642 | 2.04 | 0.175 | 0.738 | 1.19 | III | complex4.pdb.gz | 11,15,26,28,32,44,78,79,81,82,83,84,85,86,87,88 |
| 5 | 0.03 | 1y960 | 0.540 | 2.75 | 0.200 | 0.660 | 0.90 | III | complex5.pdb.gz | 13,15,16,19,20,29,31,33,38,39,40,41,42,43,45,47,72,73,74,75,76,77,79 |
| 6 | 0.03 | 3hsbB | 0.537 | 2.12 | 0.164 | 0.621 | 1.00 | QNA | complex6.pdb.gz | 26,27,29,30,31,32,34,82,83 |
| 7 | 0.02 | 1y961 | 0.543 | 2.26 | 0.068 | 0.670 | 0.85 | III | complex7.pdb.gz | 18,28,29,30,43,78,79,81,82,83,84,85,86,87 |
| 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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