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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 | 0.02 | 1xvgB | 0.594 | 4.11 | 0.046 | 0.905 | 0.61 | BRJ | complex1.pdb.gz | 57,58,61,111,115 |
| 2 | 0.02 | 1xvgA | 0.593 | 4.06 | 0.053 | 0.905 | 0.45 | BRJ | complex2.pdb.gz | 54,57,58,61,118 |
| 3 | 0.01 | 1fz9B | 0.593 | 4.05 | 0.053 | 0.905 | 0.43 | ETI | complex3.pdb.gz | 57,58,61,62,115,125 |
| 4 | 0.01 | 1xvgA | 0.593 | 4.06 | 0.053 | 0.905 | 0.47 | BRJ | complex4.pdb.gz | 67,71,114 |
| 5 | 0.01 | 1xvgB | 0.594 | 4.11 | 0.046 | 0.905 | 0.43 | BRJ | complex5.pdb.gz | 51,55,56,59 |
| 6 | 0.01 | 1mhy1 | 0.595 | 4.06 | 0.031 | 0.905 | 0.50 | III | complex6.pdb.gz | 102,103,106,107,109,110,111,114,115 |
| 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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