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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 | 0.26 | 1efu5 | 0.921 | 1.29 | 0.386 | 0.949 | 1.47 | III | Download | 5,9,12,18,19,20,23,51,79,80,81,82,84,85,131,132,133,154,156,161,177,181,249,250,285,286,287,289 |
| 2 | 0.01 | 1r1rA | 0.352 | 6.62 | 0.065 | 0.627 | 0.42 | III | Download | 76,77,133,134,135 |
| 3 | 0.01 | 3r1rA | 0.344 | 6.59 | 0.046 | 0.607 | 0.44 | ATP | Download | 41,42,43,47,48,51,131 |
| 4 | 0.01 | 6r1rA | 0.396 | 6.12 | 0.023 | 0.658 | 0.43 | III | Download | 131,132,133 |
| 5 | 0.01 | 7r1rA | 0.398 | 6.37 | 0.045 | 0.681 | 0.42 | III | Download | 17,18,41,44 |
| 6 | 0.01 | 2x0xA | 0.405 | 6.21 | 0.054 | 0.675 | 0.45 | III | Download | 22,23,25,26 |
| 7 | 0.01 | 2xawA | 0.392 | 6.36 | 0.042 | 0.678 | 0.48 | III | Download | 12,13,15,16,17 |
| 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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