Energies (kcal/mol)

VP28-AP

G_gas

Electrostatic

−11.36 ± 0.41

Van der Waals

−4.22 ± 0.46

G_solv

GB

15.25 ± 0.72

SURF

−2.76 ± 0.36

Binding energy

−3.11 ± 1.55