|
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 | 0.36 | 2g19A | 0.524 | 0.90 | 0.685 | 0.531 | 1.49 | UUU | complex1.pdb.gz | 238,240,283,287,294,297,299,311,313,327,358,360,367 |
| 2 | 0.30 | 3hqrA | 0.501 | 2.42 | 0.656 | 0.528 | 1.59 | III | complex2.pdb.gz | 242,261,264,265,276,277,278,279,281,294,296,297,298,299,301,304,306,354,373,374,375,380,384,387 |
| 3 | 0.01 | 1h2mA | 0.396 | 4.14 | 0.080 | 0.479 | 0.67 | III | complex3.pdb.gz | 242,243,244,252,255,256,260,278,279,280,281 |
| 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. |
|