|
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 | 3q7iA | 0.502 | 4.06 | 0.117 | 0.822 | 0.21 | 6PG | Download | 4,69,70,73 |
| 2 | 0.01 | 2ad5A | 0.506 | 3.97 | 0.033 | 0.860 | 0.37 | CTP | Download | 1,2,3,68 |
| 3 | 0.01 | 3sqgA | 0.444 | 3.83 | 0.096 | 0.720 | 0.28 | M43 | Download | 3,4,5,70,73 |
| 4 | 0.01 | 1jlw0 | 0.509 | 4.01 | 0.032 | 0.851 | 0.18 | III | Download | 14,52,53,55,60,82,85,86 |
| 5 | 0.01 | 1e6yA | 0.414 | 3.83 | 0.041 | 0.682 | 0.31 | F43 | Download | 4,5,70 |
| 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. |
|