|
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 | 2hloC | 0.220 | 5.39 | 0.048 | 0.378 | 0.22 | III | complex1.pdb.gz | 134,145,146,160 |
| 2 | 0.01 | 3gd1I | 0.204 | 5.53 | 0.022 | 0.352 | 0.30 | III | complex2.pdb.gz | 164,166,168,171 |
| 3 | 0.01 | 2oyiC | 0.206 | 6.06 | 0.046 | 0.394 | 0.20 | III | complex3.pdb.gz | 134,135,145,146,161 |
| 4 | 0.01 | 2verN | 0.146 | 4.99 | 0.038 | 0.233 | 0.38 | MTN | complex4.pdb.gz | 136,144,164 |
| 5 | 0.01 | 2hodC | 0.200 | 4.86 | 0.021 | 0.332 | 0.20 | III | complex5.pdb.gz | 135,163,164 |
| 6 | 0.01 | 1lgb1 | 0.084 | 3.48 | 0.139 | 0.114 | 0.37 | III | complex6.pdb.gz | 175,176,177,178,179,180,181,182,183,184,185,187 |
| 7 | 0.01 | 2oyhC | 0.200 | 5.55 | 0.044 | 0.357 | 0.20 | III | complex7.pdb.gz | 26,32,35,50 |
| 8 | 0.01 | 2oyhF | 0.201 | 5.75 | 0.029 | 0.363 | 0.20 | III | complex8.pdb.gz | 119,121,159 |
| 9 | 0.01 | 1i1aC | 0.159 | 5.16 | 0.009 | 0.259 | 0.16 | UUU | complex9.pdb.gz | 134,135,164 |
| 10 | 0.01 | 1i1aD | 0.153 | 5.58 | 0.018 | 0.264 | 0.18 | UUU | complex10.pdb.gz | 130,134,136,164 |
| 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. |
|