Table 2.

Time-averaged number of contacts between four membrane-interacting loops of GRP1 PH domain and the lipid head group parts within 5 Å

Bilayer		Loop β1/β2	Loop β3/β4	Loop β5/β6	Loop βi1/βi2
PC/PS/PIP3	Choline or serine	3.7 (0.6)	0.6 (0.2)	2.5 (0.3)	3.2 (0.2)
	Phosphate	5.1 (0.2)	0.2 (0.1)	2.1 (0.2)	1.7 (0.3)
	Glycerol	3.8 (0.4)	0	0.8 (0.2)	0
	Carbonyl	2.3 (0.3)	0	0.3 (0.1)	0

Atoms selected to represent lipid head group parts were colored red, as shown in Fig. 6. The last 250 ns of the MD trajectory was used to compute the averaged number of contacts, and the errors estimated from MD trajectory are shown in parentheses. The following are the residues selected to represent four membrane-interacting loops: extended loop β1/β2 region: residues 275 to 283; loop β3/β4: residues 297 to 304; loop β5/β6: residues 319 to 324; loop βi1/βi2 loop: residues 344 to 349.