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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 | 0.73 | 3h83A | 0.930 | 0.84 | 0.486 | 0.953 | 1.57 | SUC | Download | 108,160,165,166,167,168 |
| 2 | 0.72 | 1yfzA | 0.921 | 0.71 | 0.416 | 0.937 | 1.57 | IMP | Download | 49,50,51,138,159,160,166,172 |
| 3 | 0.68 | 1i0lA | 0.931 | 1.33 | 0.339 | 0.979 | 1.56 | PRP | Download | 50,51,106,108,110,111,166,172 |
| 4 | 0.66 | 1pzmA | 0.848 | 0.94 | 0.373 | 0.874 | 1.47 | 5GP | Download | 107,108,110,111,112,113,114,138,158,159,160,165,166 |
| 5 | 0.49 | 1tc2A | 0.918 | 1.14 | 0.359 | 0.953 | 1.07 | 7HP | Download | 158,159,160,165,166 |
| 6 | 0.46 | 1g9sA | 0.847 | 1.27 | 0.391 | 0.879 | 0.85 | IMP | Download | 106,108,109,110,111,112,113,114,115,138 |
| 7 | 0.38 | 3ggcB | 0.855 | 2.34 | 0.290 | 0.963 | 0.91 | H26 | Download | 108,110,111,112,114,137,161,162 |
| 8 | 0.35 | 1cjbB | 0.859 | 2.24 | 0.295 | 0.953 | 0.98 | POP | Download | 50,51,166,172 |
| 9 | 0.08 | 1grv0 | 0.840 | 1.32 | 0.393 | 0.874 | 1.46 | III | Download | 19,49,50,53,54,56,57,58,60,61,66,67,68,69,70,71,94,95,163,169,172,173,175 |
| 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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