Table 2. Interfacial contacts of phospholipid head groups with amino acids and their occupancy in the structural ensembles.

	Type of contact, participating DMPC group, and frequency in each ensemble of 14 structures
Site in β-interface	Hydrogen-bonding	Salt bridge	Hydrophobic
Arg117 2HH1		OC¥(51 DMP) 100%
2HH2		OC¥( 51 DMP) 36%
Asn119 2HD2	OH^(51 DMP) 71%
2HD2	OB£(50 DMP) 36%
Arg127 2HH1		OB£(33 DMP) 64%
2HH2		OB£(33 DMP) 50%
Thr154 HG1	OC¥(26 DMP) 64%
Arg165 1HH1		OB£(49 DMP) 100%
2HH1		OB£(41 DMP) 93%
HB# or HD#			CN#ɦ (51 DMP) 86%
Gly169 NH	OC¥(2 DMP) 86%
Asp170 NH	OF®(2 DMP) 100%
Phe171 NH	OD€(2 DMP) 78%
CZ			CN#ɦ (59 DMP) 64%
Ile191 HD#			C1B-D (9 DMP) 79%
#HG2			CA (44 DMP) 86%
Site in α-interface
Lys177 HZ1, HZ2		OB£(49 DMP) 78.5 %
His206 HE2	OH^(2 DMP) 100%
Ser207 NH	OC¥(9 DMP) 100%
HG	OC¥(9 DMP) 93%
Lys233 HZ2		OB£(26 DMP) 71%
Lys241 HZ3	OF®(41 DMP) 100%
HZ2	OF®(57 DMP) 86%
HZ1	0F®(50 DMP) 78%
Tyr242 NH	OB£(57 DMP) 100%
HH	OB£(9 DMP) 64 %
Asn246 1HD2	OA¢(44 DMP) 100%
2HD2	OC¥(46 DMP) 93%

^¢Phosphate oxygen

^£Phosphate oxygen

^¥Phosphate oxygen

^€Phosphate oxygen

^®Ester carbonyl oxygen

^{^}Ester carbonyl oxygen

^ɦCholine head group