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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 | 2hsqA | 0.211 | 4.89 | 0.062 | 0.266 | 0.47 | III | complex1.pdb.gz | 288,289,355,377,388,391,392 |
| 2 | 0.01 | 2ibfA | 0.220 | 4.39 | 0.045 | 0.269 | 0.41 | III | complex2.pdb.gz | 82,263,272,281,282,285,288,291,292,295,348,368,384,385,388 |
| 3 | 0.01 | 1t01A | 0.216 | 4.43 | 0.046 | 0.266 | 0.44 | III | complex3.pdb.gz | 270,288,289,292,295,296,356,377,380,384,387,388 |
| 4 | 0.01 | 1rke1 | 0.192 | 3.59 | 0.041 | 0.221 | 0.62 | III | complex4.pdb.gz | 280,281,282,283,286,347,350,353,354,357,358,360,364,365,371,372,375,378,379,382,386 |
| 5 | 0.01 | 2gwwA | 0.215 | 4.74 | 0.050 | 0.269 | 0.52 | III | complex5.pdb.gz | 291,294,295,380,383,391 |
| 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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