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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 | 0.75 | 2gg0A | 0.966 | 1.22 | 0.398 | 0.992 | 1.52 | U11 | Download | 57,60,68,77,94,96,105,166,167,169,175,176,202,233 |
| 2 | 0.75 | 3mr1A | 0.969 | 0.75 | 0.429 | 0.984 | 1.58 | MN | Download | 105,169,200,202,233 |
| 3 | 0.61 | 2gg5A | 0.966 | 1.32 | 0.396 | 0.996 | 1.19 | U19 | Download | 60,63,68,94,105,169,175,176,202,219 |
| 4 | 0.56 | 2g6pA | 0.970 | 1.25 | 0.348 | 0.996 | 1.27 | CO | Download | 94,96,105,107,233 |
| 5 | 0.51 | 1qxwA | 0.939 | 1.52 | 0.331 | 0.988 | 0.96 | M1C | Download | 76,77,94,105,166,169,202,204,233 |
| 6 | 0.37 | 2nq6A | 0.969 | 1.26 | 0.348 | 0.996 | 1.04 | HM4 | Download | 57,60,61,63,68,77,167,176,219 |
| 7 | 0.06 | 1xgs0 | 0.867 | 1.50 | 0.284 | 0.912 | 1.24 | III | Download | 77,143,152,156,164,165,166,176,179,180,184,185,186,190,211,214,221 |
| 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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