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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 | 2aclD | 0.411 | 5.37 | 0.063 | 0.641 | 0.11 | L05 | Download | 89,111,112,113 |
| 2 | 0.01 | 1pq6D | 0.402 | 4.94 | 0.048 | 0.598 | 0.29 | 965 | Download | 27,28,30,31,34,37,71,74,75,78,82 |
| 3 | 0.01 | 1ofdA | 0.341 | 5.98 | 0.036 | 0.562 | 0.28 | F3S | Download | 94,95,96,97,98 |
| 4 | 0.01 | 1ofdA | 0.341 | 5.98 | 0.036 | 0.562 | 0.11 | FMN | Download | 83,84,85,88 |
| 5 | 0.01 | 3fc6D | 0.421 | 5.27 | 0.050 | 0.645 | 0.24 | LX2 | Download | 30,33,37,68,71,72,84,86 |
| 6 | 0.01 | 3fc6B | 0.413 | 4.80 | 0.054 | 0.610 | 0.20 | LX2 | Download | 28,34,71,74,75,77,78,91 |
| 7 | 0.01 | 1ofdB | 0.429 | 5.79 | 0.079 | 0.721 | 0.33 | F3S | Download | 26,78,83,93,94 |
| 8 | 0.01 | 3kfcB | 0.412 | 4.70 | 0.060 | 0.602 | 0.26 | 61X | Download | 23,26,27,30,77,184 |
| 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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