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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 | 1meyF | 0.899 | 0.98 | 0.600 | 0.976 | 1.43 | UUU | complex1.pdb.gz | 14,17,29,41,42,68,70 |
| 2 | 0.75 | 1meyC | 0.837 | 1.41 | 0.600 | 0.976 | 1.54 | QNA | complex2.pdb.gz | 8,12,15,18,19,22,36,38,40,43,46,47,64,66,68,71,74,75,78 |
| 3 | 0.44 | 2jpaA | 0.859 | 1.20 | 0.380 | 0.963 | 0.90 | QNA | complex3.pdb.gz | 1,12,13,14,42,45,57,69,70 |
| 4 | 0.12 | 1p47A | 0.887 | 1.22 | 0.366 | 0.988 | 1.33 | QNA | complex4.pdb.gz | 8,10,12,15,18,19,36,38,39,40,43,47,50,64,66,68,71,74,75,78 |
| 5 | 0.08 | 1p47B | 0.878 | 1.17 | 0.375 | 0.976 | 1.37 | QNA | complex5.pdb.gz | 10,12,18,19,22,36,39,40,43,47,50,64,66,68,71,74,75,78 |
| 6 | 0.08 | 1g2fC | 0.869 | 1.30 | 0.415 | 0.988 | 1.00 | QNA | complex6.pdb.gz | 42,69,70 |
| 7 | 0.06 | 1f2i0 | 0.630 | 1.94 | 0.359 | 0.732 | 1.11 | III | complex7.pdb.gz | 28,29,39,40,44,45,48,52,54 |
| 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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