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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 | 0.11 | 1br8I | 0.815 | 2.46 | 0.302 | 0.884 | 1.00 | III | complex1.pdb.gz | 55,59,154,161,162,165,166,183,184,185,187,241,298,320,325,326,327,328,329,330,331,332,333,334,335,336,337,338,385 |
| 2 | 0.09 | 1lq8C | 0.708 | 2.31 | 0.262 | 0.765 | 0.97 | III | complex2.pdb.gz | 31,92,202,203,204,205,214,216,220,237,241,246,247,248,249,250,251,252,253,254,259,263,266,268,283,284,285,286,287,288,290,292 |
| 3 | 0.06 | 1jvqI | 0.815 | 2.57 | 0.304 | 0.886 | 1.11 | III | complex3.pdb.gz | 52,55,154,161,162,180,181,182,183,184,185,186,187,189,241,248,298,332,333,334,335,336,337,338,339,340,385 |
| 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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