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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 | 0.73 | 1i6kA | 0.903 | 1.86 | 0.486 | 0.967 | 1.37 | TYM | Download | 7,8,9,10,11,19,20,23,24,42,45,133,137,140,141,149,151,152,154,155,188,199,200 |
| 2 | 0.69 | 1mawE | 0.948 | 1.07 | 0.477 | 0.967 | 1.42 | ATP | Download | 17,19,20,23,185,188,190,199,200,201,202 |
| 3 | 0.46 | 1mb2F | 0.949 | 1.03 | 0.477 | 0.967 | 1.27 | TRP | Download | 7,8,9,11,45,137,140,149,151,155 |
| 4 | 0.32 | 1yidB | 0.857 | 2.63 | 0.259 | 0.955 | 1.13 | ATP | Download | 9,10,11,19,20,189,200,201,203 |
| 5 | 0.09 | 1i6m0 | 0.903 | 1.85 | 0.486 | 0.967 | 1.39 | III | Download | 43,44,47,48,50,53,56,57,60,81,83,84,86,89,90,93,96,97,99,100,101,104,126,127,128,129,131,132,136,173,304,307,308,326,329,331 |
| 6 | 0.06 | 1yi80 | 0.856 | 2.65 | 0.259 | 0.955 | 0.99 | III | Download | 44,48,51,54,57,89,90,93,96,97,99,100,101,102,104,105,126,127,128,129,131,172,307 |
| 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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