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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 | 3kndA | 0.343 | 5.38 | 0.078 | 0.448 | 0.49 | III | complex1.pdb.gz | 148,149,176,180,184,186,187,188,189,191,218,221,222,253 |
| 2 | 0.01 | 1ejlI | 0.342 | 5.29 | 0.084 | 0.444 | 0.42 | III | complex2.pdb.gz | 153,180,186,187,188,191,211,215,218,219,222,252,255,256 |
| 3 | 0.01 | 1iq1C | 0.343 | 5.41 | 0.079 | 0.449 | 0.43 | III | complex3.pdb.gz | 145,146,147,176,180,182,183,190,194,212,216,219,220,251,280 |
| 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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