LPB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	doub	1.21Å	1.21Å
O2	C1	sing	1.34Å	1.35Å
O2	HO2	sing	0.97Å	0.95Å
C1	C2	sing	1.51Å	1.50Å
C2	C3	sing	1.53Å	1.55Å
C2	H21	sing	1.09Å	1.10Å
C2	H22	sing	1.09Å	1.10Å
C3	C4	sing	1.53Å	1.54Å
C3	H31	sing	1.09Å	1.10Å
C3	H32	sing	1.09Å	1.10Å
C4	C5	sing	1.53Å	1.54Å
C4	H41	sing	1.09Å	1.10Å
C4	H42	sing	1.09Å	1.10Å
C5	C6	sing	1.53Å	1.56Å
C5	H51	sing	1.09Å	1.10Å
C5	H52	sing	1.09Å	1.10Å
C6	C7	sing	1.52Å	1.55Å
C6	S6	sing	1.84Å	1.85Å
C6	H6	sing	1.09Å	1.10Å
C7	C8	sing	1.53Å	1.52Å
C7	H71	sing	1.09Å	1.10Å
C7	H72	sing	1.09Å	1.10Å
C8	S8	sing	1.84Å	1.79Å
C8	H81	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
S8	S6	sing	2.08Å	2.06Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	O2	122.9°	120.0°
O1	C1	C2	122.8°	120.0°
C1	O2	HO2	109.5°	117.0°
O2	C1	C2	114.3°	120.0°
C1	C2	C3	117.9°	109.5°
C1	C2	H21	106.8°	109.5°
C1	C2	H22	106.8°	109.5°
C3	C2	H21	106.7°	109.4°
C3	C2	H22	106.7°	109.5°
C2	C3	C4	110.0°	109.5°
C2	C3	H31	109.3°	109.5°
C2	C3	H32	109.3°	109.5°
H21	C2	H22	112.0°	109.5°
C4	C3	H31	109.3°	109.4°
C4	C3	H32	109.3°	109.5°
C3	C4	C5	109.2°	109.5°
C3	C4	H41	109.6°	109.5°
C3	C4	H42	109.5°	109.4°
H31	C3	H32	109.6°	109.5°
C5	C4	H41	109.5°	109.5°
C5	C4	H42	109.6°	109.5°
C4	C5	C6	115.7°	109.5°
C4	C5	H51	107.4°	109.4°
C4	C5	H52	107.5°	109.5°
H41	C4	H42	109.4°	109.4°
C6	C5	H51	107.5°	109.5°
C6	C5	H52	107.4°	109.5°
C5	C6	C7	117.3°	109.5°
C5	C6	S6	114.3°	109.5°
C5	C6	H6	99.5°	109.5°
H51	C5	H52	111.4°	109.4°
C7	C6	S6	108.8°	109.3°
C7	C6	H6	106.2°	109.6°
C6	C7	C8	110.6°	118.3°
C6	C7	H71	109.1°	107.6°
C6	C7	H72	109.1°	107.7°
S6	C6	H6	109.8°	109.5°
C6	S6	S8	90.4°	95.6°
C8	C7	H71	109.1°	107.7°
C8	C7	H72	109.1°	107.7°
C7	C8	S8	109.5°	105.9°
C7	C8	H81	109.5°	110.2°
C7	C8	H82	109.5°	110.2°
H71	C7	H72	109.8°	107.4°
S8	C8	H81	109.5°	110.2°
S8	C8	H82	109.4°	110.1°
C8	S8	S6	89.5°	94.4°
H81	C8	H82	109.5°	110.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	O2	C2	179.6°	179.9°
O1	C1	O2	HO2	0.0°	0.1°
O1	C1	C2	C3	66.1°	0.1°
O1	C1	C2	H21	173.9°	120.0°
O1	C1	C2	H22	53.9°	119.9°
O2	C1	C2	C3	113.5°	180.0°
O2	C1	C2	H21	6.5°	60.1°
O2	C1	C2	H22	126.5°	60.0°
HO2	O2	C1	C2	179.6°	180.0°
C1	C2	C3	H21	120.0°	120.0°
C1	C2	C3	H22	120.0°	120.0°
C1	C2	H21	H22	116.6°	120.0°
C1	C2	C3	C4	141.2°	180.0°
C1	C2	C3	H31	21.1°	60.1°
C1	C2	C3	H32	98.8°	60.0°
C3	C2	H21	H22	116.5°	120.0°
C2	C3	C4	H31	120.0°	120.0°
C2	C3	C4	H32	120.0°	120.0°
C2	C3	H31	H32	119.8°	120.0°
C2	C3	C4	C5	87.4°	180.0°
C2	C3	C4	H41	32.5°	59.9°
C2	C3	C4	H42	152.5°	59.9°
H21	C2	C3	C4	98.8°	60.0°
H21	C2	C3	H31	141.2°	180.0°
H21	C2	C3	H32	21.2°	60.0°
H22	C2	C3	C4	21.2°	60.0°
H22	C2	C3	H31	98.9°	60.0°
H22	C2	C3	H32	141.1°	180.0°
C4	C3	H31	H32	119.8°	120.0°
C3	C4	C5	H41	120.0°	120.0°
C3	C4	C5	H42	120.0°	120.0°
C3	C4	H41	H42	120.1°	119.9°
C3	C4	C5	C6	108.1°	180.0°
C3	C4	C5	H51	131.9°	60.0°
C3	C4	C5	H52	11.9°	60.0°
H31	C3	C4	C5	152.6°	60.0°
H31	C3	C4	H41	87.5°	179.9°
H31	C3	C4	H42	32.6°	60.1°
H32	C3	C4	C5	32.5°	60.0°
H32	C3	C4	H41	152.5°	60.1°
H32	C3	C4	H42	87.5°	179.9°
C5	C4	H41	H42	120.1°	120.0°
C4	C5	C6	H51	120.0°	120.0°
C4	C5	C6	H52	120.0°	120.0°
C4	C5	H51	H52	117.5°	120.0°
C4	C5	C6	C7	140.2°	175.0°
C4	C5	C6	S6	90.6°	65.2°
C4	C5	C6	H6	26.3°	54.9°
H41	C4	C5	C6	11.9°	60.0°
H41	C4	C5	H51	108.1°	180.0°
H41	C4	C5	H52	131.9°	60.1°
H42	C4	C5	C6	131.9°	60.0°
H42	C4	C5	H51	11.9°	60.0°
H42	C4	C5	H52	108.1°	180.0°
C6	C5	H51	H52	117.5°	120.0°
C5	C6	C7	S6	131.8°	119.9°
C5	C6	C7	H6	110.1°	120.1°
C5	C6	S6	H6	110.8°	120.1°
C5	C6	C7	C8	118.9°	117.2°
C5	C6	C7	H71	121.0°	120.6°
C5	C6	C7	H72	1.1°	5.1°
C5	C6	S6	S8	93.3°	141.8°
H51	C5	C6	C7	20.2°	55.0°
H51	C5	C6	S6	149.4°	174.8°
H51	C5	C6	H6	93.7°	65.1°
H52	C5	C6	C7	99.8°	64.9°
H52	C5	C6	S6	29.4°	54.9°
H52	C5	C6	H6	146.3°	174.9°
C7	C6	S6	H6	115.9°	120.0°
C6	C7	C8	H71	120.0°	122.2°
C6	C7	C8	H72	120.0°	122.3°
C6	C7	H71	H72	119.5°	115.7°
C6	C7	C8	S8	27.9°	30.2°
C6	C7	C8	H81	92.2°	149.3°
C6	C7	C8	H82	147.9°	88.9°
C7	C6	S6	S8	40.0°	21.9°
S6	C6	C7	C8	12.8°	2.7°
S6	C6	C7	H71	107.2°	119.5°
S6	C6	C7	H72	132.8°	125.0°
C6	S6	S8	C8	47.1°	33.6°
H6	C6	C7	C8	131.0°	122.7°
H6	C6	C7	H71	11.0°	0.5°
H6	C6	C7	H72	109.0°	115.0°
H6	C6	S6	S8	155.9°	98.1°
C8	C7	H71	H72	119.6°	115.7°
C7	C8	S8	H81	120.0°	119.1°
C7	C8	S8	H82	120.0°	119.1°
C7	C8	H81	H82	120.0°	121.8°
C7	C8	S8	S6	49.2°	38.3°
H71	C7	C8	S8	147.9°	92.0°
H71	C7	C8	H81	27.8°	27.1°
H71	C7	C8	H82	92.1°	148.9°
H72	C7	C8	S8	92.1°	152.5°
H72	C7	C8	H81	147.8°	88.4°
H72	C7	C8	H82	27.9°	33.4°
S8	C8	H81	H82	120.0°	121.7°
H81	C8	S8	S6	70.8°	157.4°
H82	C8	S8	S6	169.2°	80.8°

Definition date:	2011-09-08
Last modified:	2011-09-08
Release status:	REL
Processing site:	RCSB
Derived from:	1HPC