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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 | 1d0xA | 0.199 | 7.46 | 0.026 | 0.326 | 0.23 | MNQ | complex1.pdb.gz | 42,114,117,118 |
| 2 | 0.01 | 2j8o0 | 0.250 | 4.44 | 0.108 | 0.309 | 0.20 | III | complex2.pdb.gz | 221,223,230,232,234 |
| 3 | 0.01 | 1i1eA | 0.336 | 7.85 | 0.033 | 0.562 | 0.39 | DM2 | complex3.pdb.gz | 118,119,120,121,137 |
| 4 | 0.01 | 2omy1 | 0.145 | 3.06 | 0.088 | 0.163 | 0.22 | III | complex4.pdb.gz | 32,33,41,42,43,50,52,54,106 |
| 5 | 0.01 | 2nm1A | 0.173 | 6.77 | 0.018 | 0.260 | 0.15 | III | complex5.pdb.gz | 41,43,44,45,46,108 |
| 6 | 0.01 | 1w9kA | 0.210 | 7.80 | 0.044 | 0.352 | 0.15 | UUU | complex6.pdb.gz | 39,40,41,42 |
| 7 | 0.01 | 1ncg0 | 0.140 | 3.58 | 0.057 | 0.161 | 0.35 | III | complex7.pdb.gz | 41,47,48,49,121,135 |
| 8 | 0.01 | 1tdq0 | 0.324 | 4.89 | 0.067 | 0.421 | 0.16 | III | complex8.pdb.gz | 136,137,138,140 |
| 9 | 0.01 | 2qkiD | 0.247 | 6.10 | 0.030 | 0.345 | 0.15 | III | complex9.pdb.gz | 43,112,113,172,173 |
| 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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