Table 2.
Parameters of the energy function
ɛφ | ɛψ | ɛsa | ɛhb | ɛAA | σi,
Å
|
σhb, Å | σAA, Å | |||||
---|---|---|---|---|---|---|---|---|---|---|---|---|
N | Cα | C′ | H | Cβ | O | |||||||
1 | 1 | 0.0034 | 2.8 | 2.2 | 1.65 | 1.85 | 1.85 | 1.0 | 2.5 | 1.65 | 2.0 | 5.0 |
Energies are in dimensionless units, in which the folding transition occurs at kT ≈ 0.65 for the three-helix-bundle protein (see below).