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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 | 0.15 | 2iep0 | 0.956 | 0.77 | 0.978 | 1.000 | 1.11 | III | complex1.pdb.gz | 5,6,9,22,24,26,52,55 |
| 2 | 0.09 | 2fdb1 | 0.856 | 1.60 | 0.250 | 0.989 | 0.61 | III | complex2.pdb.gz | 27,28,29,30,31,32,34,36,38,40,42,54,72,74,75,76,81 |
| 3 | 0.07 | 1tlk0 | 0.902 | 1.10 | 0.352 | 0.989 | 1.09 | III | complex3.pdb.gz | 3,26,28,30,32,33,34,42 |
| 4 | 0.05 | 2aw20 | 0.823 | 1.69 | 0.235 | 0.955 | 0.97 | III | complex4.pdb.gz | 3,4,5,38,68,70,77,78,79,80,81,82,83 |
| 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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