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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 | 0.17 | 1vi6A | 0.628 | 1.55 | 0.306 | 0.654 | 1.41 | NA | complex1.pdb.gz | 25,26,27,149,164,166 |
| 2 | 0.07 | 3otoB | 0.573 | 2.20 | 0.259 | 0.627 | 0.65 | MG | complex2.pdb.gz | 27,151,165 |
| 3 | 0.06 | 1vi60 | 0.628 | 1.55 | 0.306 | 0.654 | 1.29 | III | complex3.pdb.gz | 32,33,36,53,56,57,63,64,67,68,120,138,154,155,156,157,158,159 |
| 4 | 0.01 | 1aa6A | 0.473 | 4.85 | 0.085 | 0.641 | 0.46 | SF4 | complex4.pdb.gz | 25,27,41,42,44,45 |
| 5 | 0.01 | 2napA | 0.475 | 4.71 | 0.070 | 0.641 | 0.40 | SF4 | complex5.pdb.gz | 21,25,163,170,171 |
| 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. |
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