|
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 | 0.01 | 2yu95 | 0.096 | 5.23 | 0.019 | 0.127 | 0.30 | III | complex1.pdb.gz | 154,155,158,162,164,165,168,171,172,173,175,176,179 |
| 2 | 0.01 | 2v469 | 0.072 | 4.28 | 0.079 | 0.086 | 0.16 | III | complex2.pdb.gz | 126,130,131,132,133,134,135 |
| 3 | 0.01 | 2yu97 | 0.061 | 3.37 | 0.098 | 0.070 | 0.29 | III | complex3.pdb.gz | 148,150,163,164,172 |
| 4 | 0.01 | 1wcm7 | 0.064 | 4.16 | 0.023 | 0.077 | 0.24 | III | complex4.pdb.gz | 130,168,171,172,174 |
| 5 | 0.01 | 1ibk1 | 0.090 | 5.56 | 0.016 | 0.123 | 0.13 | III | complex5.pdb.gz | 128,138,139 |
| 6 | 0.01 | 1hnz4 | 0.069 | 3.85 | 0.038 | 0.080 | 0.34 | III | complex6.pdb.gz | 133,134,136,137 |
| 7 | 0.01 | 2yu91 | 0.061 | 3.37 | 0.098 | 0.070 | 0.38 | III | complex7.pdb.gz | 131,132,133,134,135,136 |
| 8 | 0.01 | 1l0l5 | 0.101 | 5.74 | 0.022 | 0.139 | 0.38 | III | complex8.pdb.gz | 129,132,133,134,136,158 |
| 9 | 0.01 | 2yu93 | 0.067 | 4.41 | 0.058 | 0.082 | 0.38 | III | complex9.pdb.gz | 131,132,133,134,160 |
| 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. |
|