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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 | 1eyjB | 0.343 | 5.58 | 0.058 | 0.671 | 0.21 | AMP | Download | 14,128,132,134 |
| 2 | 0.01 | 1fbpA | 0.355 | 5.17 | 0.024 | 0.658 | 0.11 | F6P | Download | 60,61,62 |
| 3 | 0.01 | 1fbpB | 0.350 | 5.25 | 0.047 | 0.665 | 0.10 | F6P | Download | 3,20,21,22 |
| 4 | 0.01 | 5fbpA | 0.357 | 5.06 | 0.041 | 0.639 | 0.10 | F6P | Download | 55,58,59,125 |
| 5 | 0.01 | 1nv7B | 0.346 | 5.47 | 0.052 | 0.658 | 0.12 | AMP | Download | 5,6,132 |
| 6 | 0.01 | 1fbpA | 0.355 | 5.17 | 0.024 | 0.658 | 0.19 | AMP | Download | 16,20,23 |
| 7 | 0.01 | 3ifcC | 0.345 | 5.57 | 0.072 | 0.671 | 0.14 | UUU | Download | 5,6,127,133 |
| 8 | 0.01 | 1i7bA | 0.447 | 5.07 | 0.043 | 0.759 | 0.25 | SMM | Download | 8,9,15,138,139 |
| 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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