Table 2.
Peptide sequence | ɛ* | NH†, Å2 | CO†, Å2 |
---|---|---|---|
ALA10 | 80 | 16.7 | 244.8 |
ALA10 | 40 | 10.9 | 143.9 |
ALA10 | 2 | 4.3 | 118.5 |
9A1K | 80 | 10.6 | 106.6 |
9A1Q | 80 | 4.8 | 144.2 |
ALA16 | 80 | 13.8 | 326.1 |
ALA16 | 40 | 22.7 | 236.8 |
ALA16 | 2 | 4.3 | 130.0 |
Value of the dielectric constant used during the simulation.
Boltzmann-averaged over all accepted conformations for the solvent accessible surface area (11) of the peptide amide and carbonyl group.