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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 | 0.58 | 1nrwA | 0.831 | 2.27 | 0.238 | 0.909 | 1.39 | CA | Download | 8,10,224,225,228 |
| 2 | 0.57 | 2ravA | 0.813 | 2.39 | 0.208 | 0.902 | 1.47 | WO6 | Download | 8,9,10,42,43,44,187,201,227 |
| 3 | 0.33 | 1rltA | 0.826 | 2.55 | 0.188 | 0.927 | 1.08 | AF3 | Download | 8,9,10,42,43 |
| 4 | 0.20 | 3zx5B | 0.703 | 3.30 | 0.126 | 0.829 | 0.97 | UUU | Download | 8,9,10,42,43,44,48,110,157,187,188,189,191,193,201,227 |
| 5 | 0.17 | 1tj4A | 0.685 | 3.14 | 0.151 | 0.808 | 1.00 | SUC | Download | 10,43,44,69,155,187,190,191,193,227 |
| 6 | 0.05 | 1wr80 | 0.697 | 2.70 | 0.262 | 0.798 | 0.90 | III | Download | 18,19,20,22,29,78,116 |
| 7 | 0.03 | 2amyA | 0.567 | 4.07 | 0.138 | 0.739 | 0.87 | GLY | Download | 232,233,234,236,238 |
| 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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