TABLE 2.

α-Helix population of Lys-4 and Lys-9

	α-Helix population (%)		Relative to WT
Peptide	Lys-4	Lys-9	Lys-4	Lys-9
From MD simulations at 300 K
WT	83 ± 18	93 ± 6	0	0
DIM4	91 ± 6	93 ± 18	8	0
DIM9	95 ± 5	86 ± 18	12	–7
dDIM	63 ± 25	55 ± 38	–20	–38
ACK	88 ± 15	68 ± 39	5	–25
From REMD simulations at 306 K
WT	97 ± 2	95 ± 3	0	0
DIM4	96 ± 3	97 ± 3	–1	2
DIM9	95 ± 2	85 ± 6	–2	–10
dDIM	71 ± 11	50 ± 18	–26	–45
ACK	90 ± 9	68 ± 9	–7	–27