Table 2.

Simulation details and results.

Simulation Type	POPC:chol:Peptide	Peptide	Analysis Time (ns)	Peptide Height (Å)	Number of Salt Bridges per peptide
					Lys-Phos	Glu-Choline
Set 1 surface-bound	90:10:2	Neu	400	2.2 ± 0.1	3.9 (73)	1.3 (13)
		Hyd	400	0.7 ± 0.1	2.7 (57)	1.6 (15)
		Pos	400	3.3 ± 0.1	5.0 (73)	0.9 (13)
		Neg	400	6.4 ± 0.3	3.4 (78)	2.7 (15)
Set 2 edge-bound low density	80:8:8	Neu	400	NA	1.0 (40)	0.3 (6)
		Hyd	400	NA	0.7 (24)	0.3 (6)
		Pos	400	NA	1.9 (35)	0.3 (6)
		Neg	400	NA	1.3 (37)	0.6 (6)
Set 3 edge-bound high density	60:6:8	Neu	470	NA	0.5 (92)	0.2 (9)
		Hyd	470	NA	0.1 (41)	0.2 (7)
		Pos	470	NA	1.2 (50)	0.3 (11)
		Neg	470	NA	0.9 (130)	0.5 (10)
Set 4 nanodisc	150:15:24	Neu	500 ns	NA	0.7	0.2

Peptide height is defined as the vertical distance between peptides and C2 atoms of oleoyl acyl chains, and is not applicable (NA) to edge-bound simulations. Salt bridges were measured as the number of contacts between nitrogen of amino group of Lys and phosphorus of phosphate group of POPC, and carbon of carboxyl group of Glu and nitrogen of choline group of POPC, averaged over all simulation frames and divided by the number of peptides. Average lifetimes (in ps) are presented in parentheses. Lifetimes for Set 4 are not presented because the trajectory was saved every 240 ps, which is more than typical lifetimes