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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 | 3nmaA | 0.421 | 4.60 | 0.075 | 0.638 | 0.11 | QNA | Download | 75,79,89 |
| 2 | 0.01 | 2j7wA | 0.436 | 4.63 | 0.075 | 0.638 | 0.36 | GTP | Download | 55,98,99 |
| 3 | 0.01 | 3knaA | 0.392 | 5.07 | 0.031 | 0.629 | 0.10 | QNA | Download | 51,106,108,171,193 |
| 4 | 0.01 | 3kmqA | 0.418 | 4.67 | 0.075 | 0.643 | 0.11 | QNA | Download | 75,159,160 |
| 5 | 0.01 | 2e9zA | 0.426 | 4.45 | 0.098 | 0.634 | 0.23 | UTP | Download | 178,179,180 |
| 6 | 0.01 | 2e9rX | 0.428 | 4.39 | 0.099 | 0.629 | 0.18 | RTP | Download | 37,56,99 |
| 7 | 0.01 | 3naiB | 0.429 | 4.23 | 0.022 | 0.615 | 0.37 | MN3 | Download | 76,77,98 |
| 8 | 0.01 | 3d68A | 0.359 | 5.74 | 0.049 | 0.610 | 0.15 | ARG | Download | 92,100,102 |
| 9 | 0.01 | 2e9tA | 0.423 | 4.52 | 0.099 | 0.638 | 0.11 | UUU | Download | 77,159,164 |
| 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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