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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 | 2wnuF | 0.468 | 1.65 | 0.276 | 0.492 | 0.69 | UUU | complex1.pdb.gz | 144,145,165,196,231,233 |
| 2 | 0.03 | 3lkjA | 0.422 | 2.30 | 0.146 | 0.469 | 1.29 | LKJ | complex2.pdb.gz | 173,175,221,223,253,255 |
| 3 | 0.02 | 1oqeE | 0.437 | 2.28 | 0.127 | 0.488 | 0.73 | III | complex3.pdb.gz | 143,188,190,191,200,203,205,235,236 |
| 4 | 0.02 | 1xu22 | 0.427 | 2.40 | 0.136 | 0.484 | 0.51 | III | complex4.pdb.gz | 153,177,179,181,211,215,217 |
| 5 | 0.01 | 1osgD | 0.438 | 2.24 | 0.127 | 0.488 | 0.52 | III | complex5.pdb.gz | 173,175,176,219,220,221,253 |
| 6 | 0.01 | 1oqe2 | 0.437 | 2.28 | 0.127 | 0.488 | 0.50 | III | complex6.pdb.gz | 48,73,75,80,81 |
| 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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