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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 | 1w7i0 | 0.293 | 7.61 | 0.047 | 0.453 | 0.46 | III | complex1.pdb.gz | 41,42,43,45,46,47,48,50,51,54 |
| 2 | 0.01 | 3kllA | 0.315 | 8.17 | 0.043 | 0.513 | 0.73 | MAL | complex2.pdb.gz | 20,27,28,29,30 |
| 3 | 0.01 | 1h2u0 | 0.290 | 7.42 | 0.038 | 0.441 | 0.60 | III | complex3.pdb.gz | 15,19,20,53,54,56 |
| 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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