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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 | 3s90A | 0.193 | 5.94 | 0.047 | 0.267 | 0.14 | III | complex1.pdb.gz | 115,119,149,238 |
| 2 | 0.01 | 1u6hA | 0.191 | 5.61 | 0.047 | 0.258 | 0.31 | III | complex2.pdb.gz | 118,153,157,160,168,171 |
| 3 | 0.01 | 2hsqA | 0.197 | 6.36 | 0.033 | 0.290 | 0.29 | III | complex3.pdb.gz | 111,112,115,196 |
| 4 | 0.01 | 3tj6A | 0.205 | 5.93 | 0.038 | 0.288 | 0.15 | III | complex4.pdb.gz | 111,112,115,119,122,125,126 |
| 5 | 0.01 | 2ibfA | 0.195 | 5.93 | 0.024 | 0.279 | 0.19 | III | complex5.pdb.gz | 149,150,153,156,159,160,163,164,167 |
| 6 | 0.01 | 3tj5A | 0.198 | 6.01 | 0.047 | 0.282 | 0.26 | III | complex6.pdb.gz | 116,119,120,123,126,127,129,130,226 |
| 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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