Table 2. Estimated folding free energies (kcal·mol−1) for NpAS and DgAS.
ΔGtotal | ΔGHB a | ΔGHS b | ΔGvdw | ΔGelec c | ΔGsol | ΔGS d | ΔGOther e | |
NpAS | −132.19 | −455.10 | −252.27 | −815.74 | −43.92 | −2.53 | 1398.95 | −11.06 |
DgAS | −142.63 | −481.27 | −225.91 | −833.33 | −55.44 | −5.13 | 1421.98 | −18.74 |
H-bond energy for the backbone-backbone type.
H-bond energy for the sidechain-backbone and sidechain-backbone type.
Electrostatics energy contributions of the charged pairs.
Energy contribution by conformational entropy at room temperature.
Helix dipole (mainly) and others.