Table 3. Lipid Bilayer Structural Properties from Experiment (exp) and Simulations (sim) with Lipid21. Values Are the Average ± st dev over Three Independent 300 ns Simulations.

		area per lipid (Å2)		volume per lipid (Å3)		bilayer thickness DHH (Å)
lipid type	temp (K)	exp	sim	exp	sim	exp	sim
DLPC	303	63.2,34 60.835	61.14 ± 0.12	99134	933.23 ± 0.06	30.834	31.42 ± 0.12
DMPC	303	60.6,34 59.935	59.71 ± 0.13	110136,34	1039.32 ± 0.14	34.4,37 35.338	35.75 ± 0
DPPC	323	63.1,35 64.339	61.69 ± 0.09	123236	1163.50 ± 0.21	38,40 38.336	38.75 ± 0
DSPC	333	63.835	59.66 ± 0.17		1290.99 ± 0.03		43.67 ± 0.12
DOPC	303	67.4,40 72.536	66.95 ± 0.20	130336	1232.84 ± 0.07	35.3,41 36.7,40,42 36.9,36 37.143	38.00 ± 0.41
POPC	303	64.3,35 68.344	63.92 ± 0.09	125644	1190.32 ± 0.13	3744	38.50 ± 0.20
POPE	310	56.6,45 59–6046	55.92 ± 0.15	118046	1129.94 ± 0.26	39.546	41.50 ± 0.20
DLPG	303	65.647	65.80 ± 0.07	95447	927.78 ± 0.06		29.33 ± 0.31
DMPG	303	65.147	65.25 ± 0.22	105747	1034.47 ± 0.19		32.42 ± 0.24
DPPG	323	67.047	67.72 ± 0.13	118947	1159.95 ± 0.07		34.83 ± 0.12
DSPG	333	68.347	66.65 ± 0.04	130547	1293.80 ± 0.14		39.00 ± 0.00
DOPG	303	70.847	71.08 ± 0.10	126547	1227.37 ± 0.07		35.58 ± 0.31
POPG	303	66.147	68.23 ± 0.07	120947	1185.09 ± 0.04		35.92 ± 0.12
DOPS	303	64.148	65.47 ± 0.16	122848	1206.28 ± 0.18	39.048	39.42 ± 0.24
POPS	298	62.749	61.78 ± 0.34		1154.36 ± 0.31	42.249	40.17 ± 0.42
POPA	310		63.90 ± 0.04		1093.10 ± 0.01		37.50 ± 0
DAPC	303		71.81 ± 0.08		1258.34 ± 0.03		36.42 ± 0.12
SDPC	297	68.250	65.10 ± 0.28		1271.79 ± 0.08	37.950	40.33 ± 0.24
PSM	328	61.951	58.50 ± 0.07	1161.751	1120.78 ± 0.27	37.851	39.08 ± 0.12
SSM	328	62.551	57.10 ± 0.20	1226.851	1173.44 ± 0.25	4051	41.42 ± 0.24