|
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 | 0.06 | 1g3n1 | 0.747 | 1.87 | 0.305 | 0.798 | 1.31 | III | complex1.pdb.gz | 27,31,34,38,112,113,120,121,141,142,145,146,149,150,151,152,154 |
| 2 | 0.05 | 2f2c0 | 0.754 | 2.30 | 0.279 | 0.825 | 0.87 | III | complex2.pdb.gz | 74,112,113,114,121,141,142,145,152,153,159,162,175,176,179 |
| 3 | 0.04 | 1f5q1 | 0.716 | 3.24 | 0.184 | 0.825 | 1.01 | III | complex3.pdb.gz | 18,21,22,24,34,108,112,113,115,120,121,138,142,146,150,151,152,153,163 |
| 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. |
|