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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 | 0.65 | 1t0kB | 0.813 | 0.84 | 0.598 | 0.844 | 1.65 | RQA | complex1.pdb.gz | 29,30,31,32,33,51,53,56,78,88,89,90,91,92,93 |
| 2 | 0.05 | 2hvy1 | 0.802 | 1.94 | 0.223 | 0.930 | 0.85 | III | complex2.pdb.gz | 35,36,39,54,55,58,59,62,63 |
| 3 | 0.05 | 1sdsC | 0.762 | 2.03 | 0.196 | 0.896 | 1.19 | RQA | complex3.pdb.gz | 25,44,98,99,100 |
| 4 | 0.04 | 2zkrf | 0.766 | 1.94 | 0.126 | 0.896 | 0.87 | QNA | complex4.pdb.gz | 74,75,76,81 |
| | 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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