Table IV.

Average Free Energies of REI Light-Chain Monomers in Their Native and Amyloid Forms as Obtained from MM-PBSA Calculations that Rely on the Last 10 ns of the Corresponding Trajectories

System	Native	Difference	Amyloid	Difference	ΔΔG╪
WT	−1964 (31)		−1943 (31)
R61N	−1842 (30)	122	−1827 (31)	116	−6
G68D	−2015 (31)	−51	−1999 (30)	−56	−5
D82I	−1884 (30)	80	−1848 (31)	95	15
A84T	−1988 (31)	−24	−1979 (31)	−36	−8

Data are in (kcal mol⁻¹). Standard deviations are calculated over three independent runs and shown in parentheses.

ΔΔG^╪ = Difference (amyloid) – Difference (native).