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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 | 1v54C | 0.453 | 4.68 | 0.031 | 0.648 | 0.42 | CDL | Download | 114,115,117,118,121,122,125,126,130 |
| 2 | 0.01 | 3perB | 0.469 | 4.85 | 0.061 | 0.698 | 0.48 | PO4 | Download | 118,121,162 |
| 3 | 0.01 | 1v54P | 0.451 | 4.58 | 0.031 | 0.639 | 0.42 | CDL | Download | 1,6,114,117,118,121 |
| 4 | 0.01 | 3ag1C | 0.447 | 4.38 | 0.031 | 0.624 | 0.46 | CDL | Download | 114,115,117,118,121,122,125,126,130 |
| 5 | 0.01 | 2eimC | 0.452 | 4.64 | 0.031 | 0.644 | 0.51 | CDL | Download | 118,122,125,126 |
| 6 | 0.01 | 2dysC | 0.451 | 4.65 | 0.031 | 0.644 | 0.41 | CDL | Download | 41,45,117,120,121,124 |
| 7 | 0.01 | 3dhhB | 0.463 | 4.54 | 0.021 | 0.658 | 0.46 | BML | Download | 119,120,123 |
| 8 | 0.01 | 1v55P | 0.452 | 4.65 | 0.031 | 0.644 | 0.43 | CDL | Download | 38,42,116,117,121,124,125,128 |
| 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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