|
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 | 0.05 | 1dkg0 | 0.560 | 2.54 | 0.175 | 0.660 | 0.89 | III | Download | 85,86,93,94,97,100,101,104,107,108,111,121,124,127,128,131,134,135,142 |
| 2 | 0.03 | 1dkg1 | 0.560 | 2.54 | 0.175 | 0.660 | 0.81 | III | Download | 88,110,113,154,157,158,160,161,180,189,193,195 |
| 3 | 0.01 | 2ibfA | 0.432 | 4.94 | 0.028 | 0.655 | 0.46 | III | Download | 94,95,97,98,101,102,105,108,109,129 |
| 4 | 0.01 | 2gdcA | 0.445 | 5.08 | 0.035 | 0.670 | 0.41 | III | Download | 93,96,97,100,101,104,107,128 |
| 5 | 0.01 | 1vsgA | 0.462 | 4.50 | 0.034 | 0.655 | 0.43 | UUU | Download | 90,93,94,97,100,142 |
| 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. |
|