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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 | 0.04 | 3a79B | 0.562 | 3.92 | 0.156 | 0.697 | 0.67 | UUU | complex1.pdb.gz | 86,106,108 |
| 2 | 0.04 | 2z66B | 0.584 | 3.70 | 0.145 | 0.707 | 0.48 | UUU | complex2.pdb.gz | 64,84,106,110 |
| 3 | 0.03 | 1sq01 | 0.588 | 3.52 | 0.195 | 0.700 | 0.55 | III | complex3.pdb.gz | 28,51,53,168 |
| 4 | 0.03 | 2z62A | 0.584 | 3.68 | 0.130 | 0.711 | 1.07 | UUU | complex4.pdb.gz | 107,108,110,132,135 |
| 5 | 0.02 | 2omy0 | 0.571 | 3.36 | 0.163 | 0.669 | 0.43 | III | complex5.pdb.gz | 49,53,73,95,117,120,141,145,146 |
| 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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