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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 | 0.02 | 1n38A | 0.353 | 8.33 | 0.043 | 0.579 | 0.39 | CH1 | complex1.pdb.gz | 469,486,487,488 |
| 2 | 0.01 | 2p6rA | 0.653 | 5.15 | 0.059 | 0.814 | 0.20 | QNA | complex2.pdb.gz | 145,146,220,415,536 |
| 3 | 0.01 | 1dy9A | 0.115 | 6.00 | 0.068 | 0.156 | 0.15 | III | complex3.pdb.gz | 416,417,423,424,429 |
| 4 | 0.01 | 1ns3B | 0.118 | 6.39 | 0.061 | 0.168 | 0.13 | III | complex4.pdb.gz | 417,419,446 |
| 5 | 0.01 | 2fm2A | 0.116 | 6.20 | 0.050 | 0.161 | 0.13 | 3BC | complex5.pdb.gz | 441,552,553,554,555 |
| 6 | 0.01 | 3lrrB | 0.083 | 4.55 | 0.012 | 0.100 | 0.20 | RQA | complex6.pdb.gz | 441,442,457 |
| 7 | 0.01 | 1jxpA | 0.112 | 6.18 | 0.045 | 0.153 | 0.15 | III | complex7.pdb.gz | 433,434,464,465,466,467 |
| 8 | 0.01 | 2oc7A | 0.107 | 5.68 | 0.050 | 0.140 | 0.19 | III | complex8.pdb.gz | 416,417,421,422,427,466,467,468,469 |
| 9 | 0.01 | 2gvfC | 0.104 | 5.59 | 0.040 | 0.138 | 0.26 | III | complex9.pdb.gz | 348,349,421,423,469,470 |
| 10 | 0.01 | 1n1lA | 0.116 | 5.99 | 0.065 | 0.158 | 0.12 | III | complex10.pdb.gz | 429,434,464,465,466 |
| 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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