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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 | 1e3dB | 0.506 | 3.58 | 0.046 | 0.653 | 0.93 | H2S | complex1.pdb.gz | 145,192,195,196 |
| 2 | 0.01 | 1e3dB | 0.506 | 3.58 | 0.046 | 0.653 | 0.51 | FNE | complex2.pdb.gz | 21,111,112,142,143,144,192,195 |
| 3 | 0.01 | 1h2aL | 0.521 | 3.58 | 0.046 | 0.671 | 0.51 | NFE | complex3.pdb.gz | 17,143,144,192,195 |
| 4 | 0.01 | 2wpnB | 0.505 | 3.57 | 0.031 | 0.645 | 0.79 | SBY | complex4.pdb.gz | 145,147,193,196,197 |
| | 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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