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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 | 0.14 | 1meyF | 0.568 | 2.77 | 0.256 | 0.713 | 0.73 | QNA | complex1.pdb.gz | 42,64,67,70,71,74,88,92,94,97,98,101 |
| 2 | 0.05 | 2i13A | 0.693 | 3.38 | 0.219 | 0.972 | 0.51 | QNA | complex2.pdb.gz | 46,62,64,67,71,74,90,92,98,101 |
| 3 | 0.02 | 1f2iH | 0.486 | 1.36 | 0.190 | 0.528 | 0.46 | QNA | complex3.pdb.gz | 14,16,17,18,21,24,25,28 |
| 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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