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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 | 1w1vA | 0.433 | 5.13 | 0.058 | 0.700 | 0.10 | UUU | complex1.pdb.gz | 29,30,58,60 |
| 2 | 0.01 | 1w1yA | 0.436 | 5.10 | 0.058 | 0.700 | 0.13 | TYP | complex2.pdb.gz | 17,27,28,29 |
| 3 | 0.01 | 1w1tA | 0.433 | 5.15 | 0.058 | 0.700 | 0.14 | CHQ | complex3.pdb.gz | 29,30,58,60 |
| 4 | 0.01 | 1w1pA | 0.433 | 5.16 | 0.058 | 0.700 | 0.16 | GIO | complex4.pdb.gz | 32,68,108 |
| 5 | 0.01 | 1oggA | 0.423 | 5.06 | 0.076 | 0.684 | 0.10 | UUU | complex5.pdb.gz | 29,31,173 |
| 6 | 0.01 | 1sqj0 | 0.476 | 5.09 | 0.024 | 0.768 | 0.20 | III | complex6.pdb.gz | 27,36,69,70 |
| 7 | 0.01 | 1o6iB | 0.431 | 5.24 | 0.053 | 0.705 | 0.21 | 0HZ | complex7.pdb.gz | 48,91,186 |
| | 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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