|
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 | 0.16 | 3twrB | 0.830 | 1.49 | 0.323 | 0.889 | 1.09 | III | complex1.pdb.gz | 6,11,14,15,51,56,59,60,62,80,82,84,89,95 |
| 2 | 0.07 | 1svx0 | 0.853 | 1.30 | 0.375 | 0.889 | 1.11 | III | complex2.pdb.gz | 14,36,49,51,56,59,60,80,94,96 |
| 3 | 0.07 | 2bkk1 | 0.850 | 1.28 | 0.354 | 0.889 | 1.06 | III | complex3.pdb.gz | 3,4,6,10,14,15,35,36,49,51,56,59,60,89 |
| 4 | 0.07 | 3twvB | 0.828 | 1.53 | 0.323 | 0.889 | 1.10 | III | complex4.pdb.gz | 36,49,50,79,81,82,83 |
| 5 | 0.07 | 2rfmB | 0.817 | 1.52 | 0.323 | 0.889 | 1.13 | BU2 | complex5.pdb.gz | 61,93,94,95,96 |
| 6 | 0.06 | 3twwA | 0.846 | 1.40 | 0.323 | 0.889 | 0.81 | III | complex6.pdb.gz | 62,97,101 |
| 7 | 0.06 | 3twvD | 0.834 | 1.48 | 0.323 | 0.889 | 0.82 | PE8 | complex7.pdb.gz | 62,66,100 |
| 8 | 0.06 | 1blx1 | 0.818 | 1.40 | 0.263 | 0.880 | 0.94 | III | complex8.pdb.gz | 1,6,11,12,15,16,18,35,51,56,59,60,61,62,64,95 |
| 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. |
|