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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 | 2bxqA | 0.546 | 2.79 | 0.017 | 0.917 | 0.24 | P1Z | Download | 19,42,45,46 |
| 2 | 0.01 | 2bxfA | 0.575 | 2.72 | 0.000 | 0.917 | 0.19 | DZP | Download | 8,12,34,46 |
| 3 | 0.01 | 2xvqA | 0.425 | 3.70 | 0.035 | 0.817 | 0.18 | 9DS | Download | 8,12,34,45 |
| 4 | 0.01 | 2bxbA | 0.567 | 2.75 | 0.000 | 0.917 | 0.16 | OPB | Download | 29,45,48,49 |
| 5 | 0.01 | 2xw0A | 0.425 | 3.51 | 0.035 | 0.800 | 0.17 | 9NF | Download | 6,7,9,54 |
| 6 | 0.01 | 2ydfA | 0.440 | 3.27 | 0.055 | 0.783 | 0.27 | IO3 | Download | 7,8,29,34,52 |
| 7 | 0.01 | 2xvvA | 0.546 | 2.80 | 0.017 | 0.917 | 0.22 | 9DN | Download | 33,41,44 |
| 8 | 0.01 | 2xvqB | 0.424 | 3.54 | 0.035 | 0.800 | 0.14 | 9DS | Download | 1,4,5 |
| 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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