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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 | 2j8o0 | 0.389 | 3.84 | 0.144 | 0.483 | 0.55 | III | complex1.pdb.gz | 82,86,87,90,91,95,125,127,249,252,253,254,255,257 |
| 2 | 0.01 | 1ry71 | 0.380 | 4.39 | 0.134 | 0.499 | 0.56 | III | complex2.pdb.gz | 83,84,85,86,87,138,168,170,175,196,197,230,231 |
| 3 | 0.01 | 2qvfB | 0.345 | 4.86 | 0.089 | 0.464 | 0.57 | CA | complex3.pdb.gz | 300,302,365 |
| 4 | 0.01 | 2b1hL | 0.281 | 5.60 | 0.059 | 0.413 | 0.60 | III | complex4.pdb.gz | 144,146,150,151 |
| 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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