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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 | 0.01 | 1i7x3 | 0.268 | 6.91 | 0.062 | 0.356 | 0.12 | III | complex1.pdb.gz | 64,93,94,138 |
| 2 | 0.01 | 3lwwC | 0.252 | 7.29 | 0.041 | 0.341 | 0.12 | III | complex2.pdb.gz | 30,40,65,69,72,75,135 |
| 3 | 0.01 | 2bptA | 0.257 | 7.64 | 0.054 | 0.354 | 0.34 | III | complex3.pdb.gz | 37,66,67,68,69,74,90 |
| 4 | 0.01 | 1f59A | 0.216 | 6.46 | 0.058 | 0.279 | 0.11 | III | complex4.pdb.gz | 59,66,70,98,100,101 |
| 5 | 0.01 | 1qz7A | 0.265 | 6.93 | 0.058 | 0.352 | 0.16 | III | complex5.pdb.gz | 49,73,75 |
| 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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