Table 2.

Simulation contents for umbrella sampling simulations

Starting structure	Aβ pH	SPC/E	Na+	Cl−
a. Simulations with DPPC: 6.4 nm × 6.4 nm × 15.8 nm box
Random coil	pH 7	14764	27	24
	pH 5	14762	24	24
	pH 3	14759	24	30
b. Simulations with DOPS: 6.4 nm × 6.4 nm × 16.1 nm box
Random coil	pH 7	15083	155	24
	pH 5	15081	152	24
	pH 3	15078	152	30