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. 2012 Jul 6;7(7):e40441. doi: 10.1371/journal.pone.0040441

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
a

H-bond energy for the backbone-backbone type.

b

H-bond energy for the sidechain-backbone and sidechain-backbone type.

c

Electrostatics energy contributions of the charged pairs.

d

Energy contribution by conformational entropy at room temperature.

e

Helix dipole (mainly) and others.