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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 | 0.89 | 3cx7A | 0.815 | 1.52 | 0.972 | 0.846 | 1.84 | UUU | complex1.pdb.gz | 57,58,59,60,61,62,63,173,197,198,200,202,203,224,225,226,291,292,294,295,348,349,350 |
| 2 | 0.47 | 3ab3A | 0.820 | 1.58 | 0.966 | 0.854 | 1.67 | ALF | complex2.pdb.gz | 57,58,61,202,203,223,224,225,226 |
| 3 | 0.47 | 3cx6A | 0.817 | 1.51 | 0.966 | 0.849 | 1.54 | MG | complex3.pdb.gz | 61,62,203,222,223 |
| 4 | 0.36 | 1as2A | 0.791 | 1.87 | 0.385 | 0.833 | 1.45 | PO4 | complex4.pdb.gz | 57,61,202,224,225 |
| 5 | 0.24 | 1fqk0 | 0.810 | 1.65 | 0.409 | 0.844 | 1.31 | III | complex5.pdb.gz | 83,201,202,203,226,228,229,231,232,235,257,258 |
| 6 | 0.08 | 3ah8A | 0.804 | 2.83 | 0.453 | 0.907 | 1.42 | III | complex6.pdb.gz | 62,66,69,76,80,83,84,201,208,209,210 |
| 7 | 0.07 | 1azt0 | 0.789 | 2.07 | 0.407 | 0.841 | 0.98 | III | complex7.pdb.gz | 341,342,343,356,357,361,364 |
| 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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