|
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 | 0.41 | 1yvpA | 0.875 | 2.48 | 0.762 | 0.944 | 1.87 | RQA | complex1.pdb.gz | 108,109,133,136,141,142,144,145,146,147,149,176,177,181,184,185,187 |
| 2 | 0.12 | 2i91A | 0.864 | 2.42 | 0.760 | 0.927 | 1.26 | RQA | complex2.pdb.gz | 88,120,123,124,166,170,171,174,252,255,256,260,263,264,277,278,279,280,282,283,284,285,286,287,326,327,330,336,337,338,339,340,341 |
| 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. |
|