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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 | 2xzgA | 0.301 | 4.40 | 0.061 | 0.350 | 0.48 | VH1 | complex1.pdb.gz | 53,58,60,62,101,109,111,113 |
| 2 | 0.01 | 2xzhA | 0.300 | 4.33 | 0.060 | 0.348 | 0.46 | VH2 | complex2.pdb.gz | 99,111,113 |
| 3 | 0.01 | 3gd1I | 0.299 | 4.39 | 0.058 | 0.348 | 0.47 | III | complex3.pdb.gz | 51,52,53,59,61,63,66 |
| 4 | 0.01 | 1utcB | 0.294 | 4.36 | 0.058 | 0.342 | 0.51 | III | complex4.pdb.gz | 50,61,63 |
| 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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