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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 | 0.07 | 3zw1B | 0.710 | 1.82 | 0.115 | 0.876 | 0.80 | UUU | complex1.pdb.gz | 18,49,62,71,72,73,74 |
| 2 | 0.06 | 3zw1A | 0.708 | 1.83 | 0.115 | 0.876 | 0.72 | UUU | complex2.pdb.gz | 5,15,25,42,43 |
| 3 | 0.06 | 3zw2B | 0.704 | 1.87 | 0.115 | 0.876 | 0.72 | UUU | complex3.pdb.gz | 14,26,30,59,77,84 |
| 4 | 0.04 | 2bs5A | 0.703 | 1.87 | 0.115 | 0.876 | 0.84 | UUU | complex4.pdb.gz | 17,24,66,74 |
| 5 | 0.04 | 3zw2B | 0.704 | 1.87 | 0.115 | 0.876 | 0.78 | UUU | complex5.pdb.gz | 50,52,59,63,77 |
| 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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