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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 | 0.04 | 2d10B | 0.663 | 2.45 | 0.103 | 0.841 | 0.65 | III | complex1.pdb.gz | 9,27,28,29,30,34,48,50,59,60,61,62,63 |
| 2 | 0.03 | 1irsA | 0.693 | 2.89 | 0.131 | 0.932 | 0.70 | III | complex2.pdb.gz | 32,33,34,35,36,37,38,39,40,41,42,46,51,63 |
| 3 | 0.02 | 2z0pC | 0.704 | 1.93 | 0.067 | 0.841 | 0.75 | 4PT | complex3.pdb.gz | 4,10,20,27 |
| 4 | 0.02 | 1i7aB | 0.658 | 2.56 | 0.078 | 0.864 | 0.65 | III | complex4.pdb.gz | 41,44,45,66 |
| 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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