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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 | 1xnq3 | 0.380 | 4.17 | 0.080 | 0.660 | 0.36 | III | Download | 25,84,85 |
| 2 | 0.01 | 1hwiD | 0.513 | 3.84 | 0.024 | 0.862 | 0.14 | ADP | Download | 60,62,64 |
| 3 | 0.01 | 1k832 | 0.304 | 3.63 | 0.082 | 0.500 | 0.15 | III | Download | 63,78,86 |
| 4 | 0.01 | 1hwkA | 0.512 | 3.86 | 0.024 | 0.872 | 0.22 | ADP | Download | 65,66,67,68,70 |
| 5 | 0.01 | 1hwkB | 0.513 | 3.89 | 0.024 | 0.872 | 0.16 | 117 | Download | 70,71,72 |
| 6 | 0.01 | 1um2A | 0.479 | 3.30 | 0.058 | 0.723 | 0.12 | III | Download | 82,83,84 |
| 7 | 0.01 | 1hw8B | 0.511 | 3.84 | 0.024 | 0.862 | 0.15 | 114 | Download | 70,71,72 |
| 8 | 0.01 | 1hwjB | 0.514 | 3.88 | 0.024 | 0.872 | 0.14 | ADP | Download | 60,61,62,63,64 |
| 9 | 0.01 | 1rvf0 | 0.299 | 3.76 | 0.028 | 0.447 | 0.17 | III | Download | 61,68,69,71 |
| 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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