Table 2.
The total binding energy of all the systems, including the wild type and the designed decoy peptides
| S. No. | Peptide sequence | vdW | Elec | GB | SASA | G Total |
|---|---|---|---|---|---|---|
| 1 | ATLQAIAS | − 72.73 | − 110.34 | 132.51 | − 8.56 | − 59.13 |
| 2 | AWLQAIAS | − 81.01 | − 111.12 | 131.69 | − 9.6 | − 70.04 |
| 3 | AYLQAIAS | − 79.08 | − 106.72 | 128.88 | − 9.55 | − 66.47 |
| 4 | ATRQAIAS | − 80.73 | − 225.82 | 248.86 | − 9.52 | − 67.20 |
| 5 | ATLQWIAS | − 76.45 | − 124.13 | 144.31 | − 9.28 | − 65.55 |
All the energies are given in Kcal/mol