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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 | 0.21 | 3i5xA | 0.650 | 3.01 | 0.241 | 0.713 | 0.92 | ANP | complex1.pdb.gz | 199,201,203,206,226,227,228,229,230,231,334,488,490,515,518,519 |
| 2 | 0.04 | 2j0s5 | 0.526 | 2.83 | 0.273 | 0.570 | 0.66 | III | complex2.pdb.gz | 408,409,410,434,436,437,440,501,503,504,505,531,534,536,537,540 |
| 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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