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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 | 0.07 | 1i5lK | 0.790 | 0.87 | 0.333 | 0.837 | 1.57 | RQA | complex1.pdb.gz | 38,39,41,65,66,67 |
| 2 | 0.06 | 1m8vH | 0.768 | 0.98 | 0.338 | 0.826 | 0.84 | RQA | complex2.pdb.gz | 9,12,35,36,37 |
| 3 | 0.05 | 1b340 | 0.721 | 1.93 | 0.237 | 0.837 | 1.12 | III | complex3.pdb.gz | 7,11,22,24,28,40,66,67,69,70,71,72,73,74,75,76 |
| 4 | 0.05 | 3gibB | 0.619 | 1.37 | 0.222 | 0.686 | 1.37 | QNA | complex4.pdb.gz | 22,23,26,27,28,29,30,46,62,70,71,73 |
| 5 | 0.05 | 3gibA | 0.616 | 1.41 | 0.226 | 0.686 | 1.34 | QNA | complex5.pdb.gz | 22,26,27,28,29,30,46,62,70,71,73 |
| 6 | 0.04 | 1b341 | 0.707 | 1.48 | 0.167 | 0.802 | 1.07 | III | complex6.pdb.gz | 27,34,35,36,37,41,42,45,49,57,60,61,62,63,64,65,67 |
| 7 | 0.03 | 1y960 | 0.616 | 2.44 | 0.177 | 0.744 | 0.90 | III | complex7.pdb.gz | 9,11,12,15,16,25,27,29,34,35,36,37,38,41,43,60,61,62,63,64,65,67 |
| 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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