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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 | 0.01 | 2ot8B | 0.375 | 6.93 | 0.033 | 0.495 | 0.12 | III | complex1.pdb.gz | 104,108,158,161,251,252,294,301 |
| 2 | 0.01 | 1ibr1 | 0.321 | 5.43 | 0.073 | 0.387 | 0.17 | III | complex2.pdb.gz | 32,65,162,248,292 |
| 3 | 0.01 | 3lwwC | 0.497 | 7.09 | 0.068 | 0.668 | 0.18 | III | complex3.pdb.gz | 104,107,158,162,256,259 |
| 4 | 0.01 | 1qgrA | 0.503 | 7.07 | 0.054 | 0.670 | 0.11 | III | complex4.pdb.gz | 164,170,198,202,404 |
| | 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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