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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 | 0.35 | 3dh3A | 0.937 | 0.88 | 0.271 | 0.952 | 1.41 | RQA | Download | 5,7,8,17,18,19,22,40,41,77,80,81,99,101,104,105,107,108,110,120,123,124,127,128,137,191,192,193,194,195,196,197,210,212,247,249 |
| 2 | 0.15 | 1ksvA | 0.651 | 2.52 | 0.239 | 0.718 | 1.44 | U | Download | 105,106,107,110,137,188,193,194,195,196,197,210 |
| 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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