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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 | 0.61 | 3f81A | 0.833 | 1.56 | 0.428 | 0.874 | 1.17 | STT | complex1.pdb.gz | 106,138,139,140,142,143,144 |
| 2 | 0.33 | 1j4xA | 0.826 | 1.49 | 0.424 | 0.869 | 1.33 | III | complex2.pdb.gz | 44,45,57,106,108,138,139,140,141,142,143,144,175,176,177,178 |
| 3 | 0.21 | 1onzA | 0.703 | 3.16 | 0.147 | 0.879 | 0.82 | 968 | complex3.pdb.gz | 104,138,139,140,141,142,143,144,177,178,180 |
| 4 | 0.06 | 2hcm0 | 0.703 | 1.55 | 0.314 | 0.748 | 1.18 | III | complex4.pdb.gz | 98,99,100,101,102,103,115,118,119,121,122,125 |
| 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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