Structural Parameters of Aqueous phospholipid Mixtures

Explanation and Calculation of Structural Parameters

Lamellar Phases Hexagonal Phases

Phosphatidylcholines

Parameters units of Angstroms unless otherwise indicated	eggPC	DLPC	DMPC-27	DPPC-25	DPPC-50	DOPC	DSPC	SOPC	16,22PC
References	Parsegian, V. A. et.al. PNAS 76:2750	Lis, L. J. et.al. Biophys. J. 37:657and667 Rand, R. P. et.al. Chemica Scripta 25:15 Rand, R. P. and Parsegian, V. A. BBA 988:351
d repeat	61.9	59	62.2	63.8	67	64	67.3	64.6	63.5
equilibrium concentration	0.60	0.54	0.57	0.74	0.54	0.56	0.71	0.63	0.60
molecular surface area	69.5	64	61.7	48.6	68.1	72.1	51.6	64.3	69.3
lipid bilayer thickness	37	31.6	35.7	47.1	35.9	35.9	47.7	40.6	38.3
water layer thickness	24.9	27.4	26.5	16.7	31.1	28.1	19.6	24	25.2
hydrocarbon layer thickness	25.9	18.9	23.1	30.4	24.1	25.4	31.9	28.7	27.4
polar group thickness	11.1	12.7	12.6	16.7	11.8	10.5	15.8	11.9	10.9
water volume per lipid	866	877	816	405	1059	1013	506	771	873
lambda	2.1	2.0	2.2	1.2	2.1	2.1	1.3	2.0	2.1
Po (dyne/cm2)	10.6	10.6	10.5	12.3	11	10.6	12.9	10.5	10.1
G min (erg/cm2)	0.03	0.01	0..02	0.03	0.01	0.01	0.15	0.02	0.01

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Phosphatidylethanolamines

Parameters units of Angstroms unless otherwise indicated	eggPE	eggPE-trans	MMPE	DMPE	POPE
References	Rand, R. P. and Parsegian, V. A. in Molecular mechanisms of membrane fusion. Rand, R. P. and Parsegian, V. A. BBA 988:351
d repeat	52.9	52	61.8	63.1	53.2
equilibrium concentration	0.64	0.72	0.66	0.64	0.79
molecular surface area	72.1	65	60.7	62.6	56.6
lipid bilayer thickness	33.8	37.4	40.8	40.4	41.8
water layer thickness	19.1	14.6	21	22.7	11.4
hydrocarbon layer thickness	25.0	27.7	29.6	28.8	28.7
polar group thickness	8.8	9.7	11.2	11.6	11.4
water volume per lipid	690	474	637	713	323
lambda	1.32	1.08	1.76	1.83	0.82
Po (dyne/cm2)	12.5	12.3	10.3	10.4	12.5
G min (erg/cm2)	0.140	0.196	0..13	0.011	0.161

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Other lipids

Parameters units of Angstroms unless otherwise indicated	DHDAA	DOPS	DGDG
References	Rand, R. P. and Parsegian, V. A. in Molecular mechanisms of membrane fusion. Rand, R. P. and Parsegian, V. A. BBA 988:351
d repeat		53.5	53.2
equilibrium concentration		0.74	0.73
molecular surface area		70	79.8
lipid bilayer thickness		39.6	38.8
water layer thickness		13.9	14.4
hydrocarbon layer thickness		26.2	22.5
polar group thickness		13.4	16.3
water volume per lipid		485	574
lambda			1.7
Po (dyne/cm2)			10.3
G min (erg/cm2)			0.24

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Mixtures

Parameters units of Angstroms unless otherwise indicated	DOPE/DOPC 3/1	POPE/SOPC 19/1	POPE/SOPC 9/1	POPE/SOPC 4/1	POPE/SOPC 2/1	POPE/SOPC 3/2	POPE/SOPC 1/1
References	Rand, R. P. et.al. Biochemistry 29:76	Rand, R. P. and Parsegian, V. A. BBA 988:351
d repeat	58	54.5	56.4	59.9	61.2	63.3	63.8
equilibrium concentration	0.67	0.	0.74	0.	0.68
molecular surface area	63.8		57.3		58.5
lipid bilayer thickness	37.7		41.7		41.5
water layer thickness	19.4		14.7		19.7
hydrocarbon layer thickness	28.6		30.3		30.2
polar group thickness	10.0		11.4		11.3
water volume per lipid	619		421		576
lambda	1.8		1.3		2.1
Po (dyne/cm2)	10.2		11.2		10.0
G min (erg/cm2)	0.03		0.09		0.08

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Mixtures

Parameters units of Angstroms unless otherwise indicated	DGDG/SOPC 44/55	DGDG/POPE 1/1	eggPC/chol 1/1	DPPC/chol 1/1	DPPC/chol 8/1	eggPC/DAG 12.5%
References	Lis, L. J. et.al. Biophys J. 37: 657and 667 Rand, R. P. et.al. Can. J. Biochem. 58:959 Rand, R. P. and Parsegian, V. A. BBA 988: 351					Das, S. and Rand, R. P. Biochem. Biophys. Res. Comm. 124: 491
d repeat	57.2	54	65.5	66	80	63
equilibrium concentration	0.68	0.72	0.64	0.65	0.64	0.58
molecular surface area	73	70	95.6	87.9	47.5	81.2
lipid bilayer thickness	38.9	38.9	42	43.1	50.8	36.6
water layer thickness	18.3	15.1	23.5	22.9	29.2	26.4
hydrocarbon layer thickness	25.1	25.0	33.0	34.2	34.0	25.9
polar group thickness	13.8	13.9	9.0	8.9	16.8	10.8
water volume per lipid	665	530	1126	1005	694	1070
lambda	1.8	1.7	1.1	1.5	2.0	2.4
Po (dyne/cm2)	10.6	10.3	13.8	11.5	10.7	10.4
G min (erg/cm2)	0.18	0.23	0.003	0.01	0.004	0.05

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Hexagonal Phases
DOPE		with DOG	with LysoPC's	with LysoPE's	with chol
no tetradecane		10.4%	L-lysoPC	L-lysoPE	10%
with tetradecane		14.8%	O-lysoPC	O-lysoPE	20%
		17.2%	P-lysoPC	S-lysoPE	30%
		25.8%			30% no tetradecane
					50% no tetradecane
DOPC	with DCG	with DOG	with cholesterol
	20%	4.8/1	33%
	25%	4/1	43%
	30%	3.16/1	50%
	35%	2.5/1
DPlPE
DVPE

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DOPE/DOG mixtures

Parameters units of Angstroms unless otherwise indicated	DOPE	DOPE/DOG 10.4%	DOPE/DOG 14.8%	DOPE/DOG 17.2%	DOPE/DOG 25.8%
References	Gawrish, K. et.al. Biochemistry 31:2856	Leikin, S. et.al Biophys. J. 71:2623
d repeat		58.1	55.7	54.7	50.5
equilibrium concentration
radius of water cylinder		17.7	16.2	15.6	13.1
radius to pivotal plane
dl interaxial 'bilayer' thickness		31.7	31.8	31.9	32.1
dm interstitial lipid thickness		42.1	41.8	41.7	41.2
interaxial hydrocarbon thickness		20.6	20.7	20.7	20.9
interstitial hydrocarbon thickness		31	30.6	30.5	29.9
area at the water interface		52	52.9	53.6	55.4
area at the pivotal plane
area at the hydrocarbon tail		108.7	115.6	119.4	136.3
volume water per lipid		460	430	419	362

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DOPE/lysoPC mixtures

Mixture	DOPE/L-lysoPC				DOPE/O-lysoPC					DOPE/P-lysoPC
Parameters units of Angstroms unless otherwise indicated	0%	4%	8%	12%	0%	2.5%	5.0%	7.5%	10.0%	0%	4%	8%	12%
References
d repeat	68.5	70.6	75	79.7	68.5	71.8	72.8	76.1	79.1	71	71	76	79
equilibrium concentration	0.713	0.710	0.693	0.673	0.719	0.696	0.690	0.668	0.651	0.706	0.716	0.700	0.685
radius of water cylinder	21.9	22.7	24.8	27.2	21.6	23.6	24.2	26.1	27.9	22.9	22.5	24.8	26.4
radius to pivotal plane	29.6	30.6	32.8	35.3	28.7	30.6	31.1	33.1	34.8	30.6	30.3	32.8	34.5
dl interaxial 'bilayer' thickness	35.4	36.2	37.0	37.6	35.8	35.7	35.7	35.6	35.6	36.1	36.9	38.1	38.3
dm interstitial lipid thickness	47.6	48.8	50.4	51.9	48.1	48.5	48.7	49.2	49.7	48.8	49.6	51.7	52.4
interaxial hydrocarbon thickness	25.0	25.9	26.8	27.6	25.3	25.3	25.5	25.7	25.9	25.6	26.3	27.6	28.1
interstitial hydrocarbon thickness	37.3	38.5	40.2	41.8	37.6	38.1	38.5	39.3	40.0	38.3	39.0	41.1	42.2
area at the water interface	54.1	54.3	55.3	56.8	53.1	55.4	56.7	59.3	60.9	53.4	53.1	53.5	55.8
area at the pivotal plane	73.2	73.3	73.2	73.8	70.5	71.8	73.1	75.0	76.0	71.1	71.4	70.8	72.7
area at the hydrocarbon tail	107.9	107.7	106.5	105.9	107.1	107.3	108.7	109.9	110.1	105.1	106.3	104.3	106.0
volume water per lipid	594	618	687	775	577	656	688	779	853	614	600	666	740

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DOPE/lysoPE mixtures

Mixture	DOPE/L-lysoPE				DOPE/O-lysoPE			DOPE/S-lysoPE
Parameters units of Angstroms unless otherwise indicated	0%	5%	10%	15%	0%	10%	15%	0%	3.9%	7.2%	9.7%	14.2%
References
d repeat	71	72	76	80	68.5	73.5	75	68.5	69	71.5	72	76
equilibrium concentration	0.724	0.717	0.689	0.663	0.717	0.683	0.673	0.729	0.726	0.709	0.706	0.680
radius of water cylinder	22.2	22.8	25.3	27.7	21.7	24.7	25.6	21.2	21.5	23.0	23.3	25.6
radius to pivotal plane	29.1	29.7	32.0	34.4	29.1	31.9	32.8	28.1	28.3	29.7	30.0	32.3
dl interaxial 'bilayer' thickness	37.5	37.5	37.2	37.0	35.7	35.5	35.4	36.6	36.6	36.6	36.6	36.5
dm interstitial lipid thickness	50.2	50.3	50.8	51.3	47.9	48.7	48.8	48.9	49.0	49.4	49.5	50.1
interaxial hydrocarbon thickness	26.5	26.8	27.0	27.2	25.2	25.9	26.2	25.8	26.1	26.4	26.6	26.9
interstitial hydrocarbon thickness	39.2	39.6	40.6	41.5	37.5	39.0	39.6	38.1	38.5	39.2	39.4	40.5
area at the water interface	50.5	52.4	55.6	58.9	53.4	59.3	62.2	51.5	52.9	55.1	56.3	59.8
area at the pivotal plane	66.2	68.1	70.4	73.1	71.6	76.7	79.7	68.0	69.7	71.4	72.6	75.3
area at the hydrocarbon tail	102.7	105.1	106.4	108.4	107.4	112.4	116.1	105.7	108.1	109.2	110.9	112.8
volume water per lipid	564	600	704	819	582	734	798	549	572	636	657	769

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DOPE/chol mixtures

Parameters units of Angstroms unless otherwise indicated	DOPE/td	DOPE/chol 10%	DOPE/chol 20%	DOPE/chol 30%	DOPE notd	DOPE/chol 30%no td	DOPE/chol 50%no td
References	Chen, Z. and Rand, R. P. Biophys.J. 73:267
d repeat	68.5	66.6	64.8	62.7	65.0	64	63.5
equilibrium concentration	0.700	0.715	0.73	0.75	0.687	0.692	0.699
radius of water cylinder	22.4	21.2	20.1	18.7	22.0	21.6	21.2
radius to pivotal plane	30.4	29.3	28.3	27.0	28.4	28.3	27.8
dl interaxial 'bilayer' thickness	34.4	34.5	34.6	35.0	31.0	30.7	30.8
dm interstitial lipid thickness	46.6	46.4	46.2	46.2	42.6	42.1	42.1
interaxial hydrocarbon thickness	24.4	24.7	25.3	26.0	19.8	21.4	23.0
interstitial hydrocarbon thickness	36.6	36.6	36.8	37.2	31.4	32.8	34.4
area at the water interface	56.3	58.5	61.2	64.0	51.1	62.2	76.0
area at the pivotal plane	76.7	80.9	86.1	92.5	65.9	81.4	99.2
area at the hydrocarbon tail	109.9	116.9	125.6	136.5	95.8	117.2	144.4
volume water per lipid	632	622	617	602	565	675	812

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DOPC/DAG mixtures

Mixture	DOPC/DCG				DOPC/DOG
Parameters units of Angstroms unless otherwise indicated	20%	25%	30%	35%	17.2%	20%	24%	28.6%
References
d repeat	107	95	86.5	77	105.5	94.5	89.5	77.7
equilibrium concentration	0.535	0.582	0.632	0.665	0.53	0.592	0.620	0.690
radius of water cylinder	43.5	36.5	31.1	26.4	43.2	36.0	32.8	25.7
radius to pivotal plane	48.5	41.6	37.2	32.3	49.2	42.3	39.3	32.4
dl interaxial 'bilayer' thickness	36.5	36.6	37.6	36.1	35.4	37.1	37.7	38.4
dm interstitial lipid thickness	55.6	53.6	53.1	49.9	54.2	54.0	53.7	52.2
interaxial hydrocarbon thickness	26.2	26.6	27.6	26.8	25.5	27.0	27.7	28.5
interstitial hydrocarbon thickness	45.3	43.6	43.1	40.6	44.4	43.9	43.7	42.4
area at the water interface	70.0	71.4	70.8	75.6	73.4	70.4	71.6	70.7
area at the pivotal plane	78.1	81.3	84.6	92.5	83.6	82.8	85.7	89.2
area at the hydrocarbon tail	109.5	118.2	125.2	140.4	114.1	117.7	124.3	136.2
volume water per lipid	1528	1310	1107	1001	1592	1272	1181	911

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DOPC/chol mixtures

Parameters units of Angstroms unless otherwise indicated	DOPC/chol 33%	DOPC/chol 43%	DOPC/chol 50%
References	Chen, Z. and Rand, R.P. Biophys. J. 73:267
d repeat	112	102	94
equilibrium concentration	0.51	0.56	0.61
radius of water cylinder	47.1	40.7	35.3
radius to pivotal plane	52.9	46.7	41.6
dl interaxial 'bilayer' thickness	35.1	36.4	37.9
dm interstitial lipid thickness	55.1	54.6	54.7
interaxial hydrocarbon thickness	25.9	27.7	29.5
interstitial hydrocarbon thickness	45.9	45.9	46.3
area at the water interface	78.9	82.2	84.0
area at the pivotal plane	88.5	94.3	98.9
area at the hydrocarbon tail	119.3	131.2	142.4
volume water per lipid	1866	1678	1488

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Phosphatidlyethanolamines

Parameters units of Angstroms unless otherwise indicated	DOPE no td	DOPE plus td	DplPE no td	DplPE plus td	DVPE no td	DVPE plus td
References			Epand, R. M. et.al. Biophys. J. 71:1806
d repeat	64.5	67	lam	68.2	71	71.6
equilibrium concentration	0.687	0.719
radius of water cylinder	22.047	21.633
radius to pivotal plane	28.448	28.699
dl interaxial 'bilayer' thickness	30.962	35.832
dm interstitial lipid thickness	42.573	48.068
interaxial hydrocarbon thickness	19.821	25.335
interstitial hydrocarbon thickness	31.432	37.572
area at the water interface	51.054	53.114
area at the pivotal plane	65.879	70.463
area at the hydrocarbon tail	95.825	107.07
volume water per lipid	565	577

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