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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 | 0.44 | 1r3eA | 0.918 | 1.67 | 0.271 | 0.973 | 1.32 | RQA | Download | 18,25,32,33,34,35,37,38,39,40,41,55,58,59,62,66,68,80,82,84,120,121,122,123,124,126,127,129,131,135,175,176,177,196,284 |
| 2 | 0.15 | 3lwqA | 0.761 | 2.12 | 0.242 | 0.836 | 0.95 | RQA | Download | 18,37,38,40,68,173,174,175,198 |
| 3 | 0.07 | 1r3eA | 0.918 | 1.67 | 0.271 | 0.973 | 1.21 | RQA | Download | 53,56,246,248,282,284,285 |
| 4 | 0.05 | 3hjyA | 0.758 | 2.34 | 0.248 | 0.843 | 0.82 | RQA | Download | 18,21,25,32,33,34,35,55,56,59,236,238,239,242,245,246,247,248,249,250,284,289 |
| 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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