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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 | 1ofeA | 0.294 | 7.93 | 0.024 | 0.455 | 0.41 | ONL | complex1.pdb.gz | 21,22,30,34,63,64 |
| 2 | 0.01 | 1llwA | 0.289 | 7.54 | 0.038 | 0.434 | 0.67 | F3S | complex2.pdb.gz | 36,37,38,39,40,41,74 |
| 3 | 0.01 | 1o6oB | 0.225 | 7.13 | 0.054 | 0.327 | 0.42 | III | complex3.pdb.gz | 29,32,33,68 |
| 4 | 0.01 | 1u6g0 | 0.338 | 7.63 | 0.037 | 0.501 | 0.74 | III | complex4.pdb.gz | 32,36,64,65,66 |
| 5 | 0.01 | 1f59A | 0.225 | 7.19 | 0.054 | 0.328 | 0.44 | III | complex5.pdb.gz | 29,32,33,36,74 |
| 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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