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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 | 0.05 | 2i0m0 | 0.885 | 1.25 | 0.188 | 0.924 | 0.89 | III | Download | 52,53,56,59,80,84,87,92,94,95,98,188,195,202,206 |
| 2 | 0.01 | 2xy9A | 0.502 | 5.77 | 0.062 | 0.862 | 0.61 | UUU | Download | 100,103,104 |
| 3 | 0.01 | 3tj5A | 0.375 | 4.58 | 0.060 | 0.531 | 0.45 | III | Download | 99,102,105,194,198,202,205 |
| 4 | 0.01 | 3s90A | 0.338 | 5.09 | 0.034 | 0.513 | 0.48 | III | Download | 102,103,105,106,109,150,164,194,198,201,202,205 |
| 5 | 0.01 | 1zw2A | 0.420 | 4.28 | 0.081 | 0.598 | 0.47 | III | Download | 92,96,99,103,107,153,160,194,198 |
| 6 | 0.01 | 3tj6A | 0.350 | 5.14 | 0.047 | 0.536 | 0.48 | III | Download | 95,96,106,109,110,157,181,187,191,195,198,199 |
| 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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