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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 | 1llwA | 0.397 | 6.30 | 0.033 | 0.676 | 0.48 | F3S | complex1.pdb.gz | 41,42,44,45,46,56 |
| 2 | 0.01 | 1lm1A | 0.324 | 5.44 | 0.024 | 0.481 | 0.62 | F3S | complex2.pdb.gz | 41,42,43,44,45,46,55,57 |
| 3 | 0.01 | 1clqA | 0.362 | 6.66 | 0.041 | 0.662 | 0.43 | CA | complex3.pdb.gz | 20,22,50 |
| 4 | 0.01 | 1i1eA | 0.401 | 6.20 | 0.049 | 0.662 | 0.43 | DM2 | complex4.pdb.gz | 20,72,73,80,82 |
| 5 | 0.01 | 2oyqA | 0.368 | 7.32 | 0.047 | 0.717 | 0.40 | N5P | complex5.pdb.gz | 18,19,20,54,55 |
| 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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