E46

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
FAA	CBB	sing	1.40Å	1.32Å
CBB	FAB	sing	1.40Å	1.32Å
CBB	FAC	sing	1.40Å	1.32Å
CBB	OAT	sing	1.43Å	1.41Å
OAT	CAU	sing	1.36Å	1.36Å
CAU	CAI	sing	1.39Å	1.38Å	Aromatic
CAU	CAE	doub	1.39Å	1.38Å	Aromatic
CAI	CAW	doub	1.39Å	1.38Å	Aromatic
CAE	CAD	sing	1.38Å	1.38Å	Aromatic
CAD	CAF	doub	1.38Å	1.39Å	Aromatic
CAF	CAW	sing	1.39Å	1.39Å	Aromatic
CAW	NBA	sing	1.40Å	1.33Å
NBA	NAP	sing	1.40Å	1.39Å	Aromatic
NBA	CAY	sing	1.37Å	1.33Å	Aromatic
NAP	NAO	doub	1.29Å	1.41Å	Aromatic
NAO	CAX	sing	1.35Å	1.36Å	Aromatic
CAX	CAH	sing	1.40Å	1.38Å	Aromatic
CAX	CAY	doub	1.41Å	1.39Å	Aromatic
CAH	CAG	doub	1.37Å	1.38Å	Aromatic
CAG	CAV	sing	1.40Å	1.38Å	Aromatic
CAY	NAQ	sing	1.33Å	1.36Å	Aromatic
NAQ	CAV	doub	1.32Å	1.36Å	Aromatic
CAV	NAS	sing	1.39Å	1.36Å
NAS	CAN	sing	1.47Å	1.45Å
CAN	CAZ	sing	1.53Å	1.52Å
CAZ	CAL	sing	1.53Å	1.53Å
CAZ	CAM	sing	1.53Å	1.53Å
CAL	CAJ	sing	1.53Å	1.53Å
CAM	CAK	sing	1.53Å	1.53Å
CAK	NAR	sing	1.47Å	1.45Å
NAR	CAJ	sing	1.47Å	1.46Å
CAI	HAI	sing	1.08Å	1.08Å
CAE	HAE	sing	1.08Å	1.08Å
CAD	HAD	sing	1.08Å	1.08Å
CAF	HAF	sing	1.08Å	1.08Å
CAH	HAH	sing	1.08Å	1.08Å
CAG	HAG	sing	1.08Å	1.08Å
NAS	HAS	sing	0.97Å	1.00Å
CAN	HAN1	sing	1.09Å	1.10Å
CAN	HAN2	sing	1.09Å	1.10Å
CAZ	HAZ	sing	1.09Å	1.10Å
CAL	HAL1	sing	1.09Å	1.10Å
CAL	HAL2	sing	1.09Å	1.10Å
CAM	HAM1	sing	1.09Å	1.10Å
CAM	HAM2	sing	1.09Å	1.10Å
CAJ	HAJ1	sing	1.09Å	1.10Å
CAJ	HAJ2	sing	1.09Å	1.10Å
CAK	HAK1	sing	1.09Å	1.10Å
CAK	HAK2	sing	1.09Å	1.10Å
NAR	HAR	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
FAA	CBB	FAB	109.0°	109.5°
FAA	CBB	FAC	113.8°	109.5°
FAA	CBB	OAT	105.7°	109.4°
FAB	CBB	FAC	109.0°	109.5°
FAB	CBB	OAT	109.6°	109.5°
FAC	CBB	OAT	109.5°	109.5°
CBB	OAT	CAU	123.9°	117.0°
OAT	CAU	CAI	117.4°	120.0°
OAT	CAU	CAE	122.1°	120.0°
CAI	CAU	CAE	120.4°	119.9°
CAU	CAI	CAW	123.3°	119.9°
CAU	CAI	HAI	118.3°	120.0°
CAU	CAE	CAD	118.1°	120.1°
CAU	CAE	HAE	120.9°	119.9°
CAI	CAW	CAF	115.3°	119.9°
CAI	CAW	NBA	122.4°	120.1°
CAW	CAI	HAI	118.4°	120.1°
CAE	CAD	CAF	120.4°	120.2°
CAD	CAE	HAE	121.0°	120.0°
CAE	CAD	HAD	119.8°	120.0°
CAD	CAF	CAW	122.5°	120.0°
CAF	CAD	HAD	119.8°	119.9°
CAD	CAF	HAF	118.7°	120.0°
CAF	CAW	NBA	122.3°	120.0°
CAW	CAF	HAF	118.8°	120.0°
CAW	NBA	NAP	120.5°	126.6°
CAW	NBA	CAY	124.6°	126.7°
NAP	NBA	CAY	114.9°	106.7°
NBA	NAP	NAO	102.0°	109.5°
NBA	CAY	CAX	103.9°	105.9°
NBA	CAY	NAQ	135.4°	133.6°
NAP	NAO	CAX	109.2°	110.1°
NAO	CAX	CAH	130.8°	133.2°
NAO	CAX	CAY	110.0°	107.8°
CAH	CAX	CAY	119.2°	118.9°
CAX	CAH	CAG	119.4°	118.4°
CAX	CAH	HAH	120.3°	120.8°
CAX	CAY	NAQ	120.7°	120.4°
CAH	CAG	CAV	120.6°	119.7°
CAG	CAH	HAH	120.3°	120.8°
CAH	CAG	HAG	119.7°	120.2°
CAG	CAV	NAQ	119.5°	121.2°
CAG	CAV	NAS	116.8°	119.4°
CAV	CAG	HAG	119.7°	120.1°
CAY	NAQ	CAV	120.5°	121.4°
NAQ	CAV	NAS	123.7°	119.4°
CAV	NAS	CAN	124.0°	120.0°
CAV	NAS	HAS	105.7°	120.0°
NAS	CAN	CAZ	109.3°	109.4°
CAN	NAS	HAS	105.8°	120.0°
NAS	CAN	HAN1	109.5°	109.5°
NAS	CAN	HAN2	109.5°	109.5°
CAN	CAZ	CAL	108.9°	109.5°
CAN	CAZ	CAM	110.1°	109.5°
CAZ	CAN	HAN1	109.5°	109.5°
CAZ	CAN	HAN2	109.5°	109.5°
CAN	CAZ	HAZ	109.0°	109.6°
CAL	CAZ	CAM	111.1°	109.1°
CAZ	CAL	CAJ	110.6°	109.3°
CAL	CAZ	HAZ	108.9°	109.6°
CAZ	CAL	HAL1	109.2°	109.5°
CAZ	CAL	HAL2	109.2°	109.5°
CAZ	CAM	CAK	111.0°	109.3°
CAM	CAZ	HAZ	108.9°	109.5°
CAZ	CAM	HAM1	109.1°	109.5°
CAZ	CAM	HAM2	109.1°	109.5°
CAL	CAJ	NAR	110.6°	109.5°
CAJ	CAL	HAL1	109.2°	109.5°
CAJ	CAL	HAL2	109.2°	109.5°
CAL	CAJ	HAJ1	109.2°	109.4°
CAL	CAJ	HAJ2	109.2°	109.5°
CAM	CAK	NAR	110.1°	109.5°
CAK	CAM	HAM1	109.1°	109.5°
CAK	CAM	HAM2	109.1°	109.5°
CAM	CAK	HAK1	109.3°	109.4°
CAM	CAK	HAK2	109.3°	109.4°
CAK	NAR	CAJ	119.5°	111.2°
NAR	CAK	HAK1	109.3°	109.5°
NAR	CAK	HAK2	109.3°	109.5°
CAK	NAR	HAR	106.9°	111.0°
NAR	CAJ	HAJ1	109.2°	109.5°
NAR	CAJ	HAJ2	109.2°	109.5°
CAJ	NAR	HAR	106.9°	111.0°
HAN1	CAN	HAN2	109.5°	109.5°
HAL1	CAL	HAL2	109.5°	109.6°
HAM1	CAM	HAM2	109.5°	109.6°
HAJ1	CAJ	HAJ2	109.4°	109.5°
HAK1	CAK	HAK2	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
FAA	CBB	FAB	FAC	124.9°	120.0°
FAA	CBB	FAB	OAT	115.3°	120.0°
FAA	CBB	FAC	OAT	118.1°	120.0°
FAA	CBB	OAT	CAU	108.3°	60.0°
FAB	CBB	FAC	OAT	119.9°	120.0°
FAB	CBB	OAT	CAU	134.3°	60.0°
FAC	CBB	OAT	CAU	14.7°	180.0°
CBB	OAT	CAU	CAI	134.6°	180.0°
CBB	OAT	CAU	CAE	47.5°	0.3°
OAT	CAU	CAI	CAE	178.0°	179.7°
OAT	CAU	CAI	CAW	178.7°	180.0°
OAT	CAU	CAE	CAD	178.6°	180.0°
OAT	CAU	CAI	HAI	1.3°	0.1°
OAT	CAU	CAE	HAE	1.5°	0.0°
CAU	CAI	CAW	HAI	180.0°	179.9°
CAI	CAU	CAE	CAD	0.7°	0.3°
CAU	CAI	CAW	CAF	0.6°	0.0°
CAU	CAI	CAW	NBA	179.9°	180.0°
CAI	CAU	CAE	HAE	179.3°	179.8°
CAE	CAU	CAI	CAW	0.8°	0.3°
CAU	CAE	CAD	HAE	180.0°	180.0°
CAU	CAE	CAD	CAF	0.5°	0.0°
CAE	CAU	CAI	HAI	179.2°	179.8°
CAU	CAE	CAD	HAD	179.5°	179.9°
CAI	CAW	CAF	CAD	0.4°	0.2°
CAI	CAW	CAF	NBA	179.3°	179.9°
CAI	CAW	NBA	NAP	180.0°	35.0°
CAI	CAW	NBA	CAY	1.0°	144.7°
CAI	CAW	CAF	HAF	179.6°	180.0°
CAE	CAD	CAF	HAD	180.0°	179.9°
CAE	CAD	CAF	CAW	0.4°	0.2°
CAE	CAD	CAF	HAF	179.6°	180.0°
CAD	CAF	CAW	HAF	180.0°	179.7°
CAD	CAF	CAW	NBA	179.8°	179.7°
CAF	CAD	CAE	HAE	179.5°	180.0°
CAF	CAW	NBA	NAP	0.7°	145.1°
CAF	CAW	NBA	CAY	179.7°	35.3°
CAF	CAW	CAI	HAI	179.4°	180.0°
CAW	CAF	CAD	HAD	179.6°	179.7°
CAW	NBA	NAP	CAY	179.1°	179.7°
CAW	NBA	NAP	NAO	179.5°	180.0°
CAW	NBA	CAY	CAX	179.3°	179.9°
CAW	NBA	CAY	NAQ	0.8°	0.1°
NBA	CAW	CAI	HAI	0.1°	0.1°
NBA	CAW	CAF	HAF	0.2°	0.0°
NBA	NAP	NAO	CAX	0.4°	0.1°
NAP	NBA	CAY	CAX	0.2°	0.4°
NAP	NBA	CAY	NAQ	179.9°	179.8°
CAY	NBA	NAP	NAO	0.4°	0.3°
NBA	CAY	CAX	NAO	0.1°	0.4°
NBA	CAY	CAX	CAH	179.7°	179.9°
NBA	CAY	CAX	NAQ	179.9°	179.9°
NBA	CAY	NAQ	CAV	179.7°	179.2°
NAP	NAO	CAX	CAH	179.9°	179.9°
NAP	NAO	CAX	CAY	0.3°	0.2°
NAO	CAX	CAH	CAY	179.5°	179.7°
NAO	CAX	CAH	CAG	179.7°	180.0°
NAO	CAX	CAY	NAQ	179.9°	179.8°
NAO	CAX	CAH	HAH	0.2°	0.1°
CAX	CAH	CAG	HAH	180.0°	179.9°
CAX	CAH	CAG	CAV	0.1°	0.1°
CAH	CAX	CAY	NAQ	0.3°	0.0°
CAX	CAH	CAG	HAG	179.9°	180.0°
CAY	CAX	CAH	CAG	0.2°	0.3°
CAX	CAY	NAQ	CAV	0.2°	0.6°
CAY	CAX	CAH	HAH	179.7°	179.8°
CAH	CAG	CAV	HAG	180.0°	179.9°
CAH	CAG	CAV	NAQ	0.1°	0.5°
CAH	CAG	CAV	NAS	179.3°	180.0°
CAG	CAV	NAQ	CAY	0.1°	0.8°
CAG	CAV	NAQ	NAS	179.3°	179.5°
CAG	CAV	NAS	CAN	176.0°	0.0°
CAV	CAG	CAH	HAH	179.8°	180.0°
CAG	CAV	NAS	HAS	54.0°	180.0°
CAY	NAQ	CAV	NAS	179.2°	179.7°
NAQ	CAV	NAS	CAN	4.6°	179.5°
NAQ	CAV	CAG	HAG	179.9°	179.4°
NAQ	CAV	NAS	HAS	126.7°	0.5°
CAV	NAS	CAN	HAS	122.0°	180.0°
CAV	NAS	CAN	CAZ	80.4°	180.0°
NAS	CAV	CAG	HAG	0.7°	0.1°
CAV	NAS	CAN	HAN1	159.6°	60.0°
CAV	NAS	CAN	HAN2	39.6°	60.0°
NAS	CAN	CAZ	HAN1	120.0°	120.0°
NAS	CAN	CAZ	HAN2	120.0°	119.9°
NAS	CAN	CAZ	CAL	152.7°	175.0°
NAS	CAN	CAZ	CAM	30.8°	65.3°
NAS	CAN	HAN1	HAN2	120.0°	120.0°
NAS	CAN	CAZ	HAZ	88.6°	54.8°
CAN	CAZ	CAL	CAM	121.3°	119.9°
CAN	CAZ	CAL	HAZ	118.7°	120.2°
CAN	CAZ	CAM	HAZ	119.4°	120.2°
CAN	CAZ	CAL	CAJ	176.7°	177.5°
CAN	CAZ	CAM	CAK	177.2°	177.5°
CAZ	CAN	NAS	HAS	41.6°	0.0°
CAZ	CAN	HAN1	HAN2	120.1°	120.0°
CAN	CAZ	CAL	HAL1	56.6°	57.6°
CAN	CAZ	CAL	HAL2	63.1°	62.5°
CAN	CAZ	CAM	HAM1	62.6°	62.5°
CAN	CAZ	CAM	HAM2	56.9°	57.6°
CAL	CAZ	CAM	HAZ	119.9°	119.9°
CAZ	CAL	CAJ	HAL1	120.2°	119.9°
CAZ	CAL	CAJ	HAL2	120.2°	119.9°
CAL	CAZ	CAM	CAK	56.5°	57.6°
CAZ	CAL	CAJ	NAR	4.1°	59.2°
CAL	CAZ	CAN	HAN1	32.8°	65.0°
CAL	CAZ	CAN	HAN2	87.3°	55.1°
CAZ	CAL	HAL1	HAL2	119.5°	120.1°
CAL	CAZ	CAM	HAM1	176.7°	177.6°
CAL	CAZ	CAM	HAM2	63.7°	62.3°
CAZ	CAL	CAJ	HAJ1	124.3°	179.2°
CAZ	CAL	CAJ	HAJ2	116.0°	60.8°
CAM	CAZ	CAL	CAJ	55.4°	57.7°
CAZ	CAM	CAK	HAM1	120.2°	119.9°
CAZ	CAM	CAK	HAM2	120.2°	119.9°
CAZ	CAM	CAK	NAR	5.7°	59.2°
CAM	CAZ	CAN	HAN1	89.2°	54.6°
CAM	CAZ	CAN	HAN2	150.8°	174.7°
CAM	CAZ	CAL	HAL1	64.8°	62.3°
CAM	CAZ	CAL	HAL2	175.6°	177.6°
CAZ	CAM	HAM1	HAM2	119.3°	120.1°
CAZ	CAM	CAK	HAK1	114.4°	60.8°
CAZ	CAM	CAK	HAK2	125.8°	179.2°
CAL	CAJ	NAR	CAK	51.6°	61.8°
CAL	CAJ	NAR	HAJ1	120.2°	120.0°
CAL	CAJ	NAR	HAJ2	120.2°	120.0°
CAJ	CAL	CAZ	HAZ	64.5°	62.3°
CAJ	CAL	HAL1	HAL2	119.5°	120.1°
CAL	CAJ	HAJ1	HAJ2	119.5°	119.9°
CAL	CAJ	NAR	HAR	69.9°	174.2°
CAM	CAK	NAR	HAK1	120.1°	120.0°
CAM	CAK	NAR	HAK2	120.1°	120.0°
CAM	CAK	NAR	CAJ	50.5°	61.7°
CAK	CAM	CAZ	HAZ	63.4°	62.3°
CAK	CAM	HAM1	HAM2	119.3°	120.1°
CAM	CAK	HAK1	HAK2	119.7°	119.9°
CAM	CAK	NAR	HAR	71.0°	174.2°
CAK	NAR	CAJ	HAR	121.5°	124.1°
NAR	CAK	CAM	HAM1	125.9°	179.1°
NAR	CAK	CAM	HAM2	114.5°	60.7°
CAK	NAR	CAJ	HAJ1	68.6°	178.3°
CAK	NAR	CAJ	HAJ2	171.7°	58.3°
NAR	CAK	HAK1	HAK2	119.7°	120.0°
NAR	CAJ	CAL	HAL1	116.0°	60.7°
NAR	CAJ	CAL	HAL2	124.3°	179.1°
NAR	CAJ	HAJ1	HAJ2	119.5°	120.0°
CAJ	NAR	CAK	HAK1	170.6°	58.2°
CAJ	NAR	CAK	HAK2	69.6°	178.3°
HAE	CAE	CAD	HAD	0.5°	0.1°
HAD	CAD	CAF	HAF	0.4°	0.0°
HAH	CAH	CAG	HAG	0.2°	0.1°
HAS	NAS	CAN	HAN1	78.4°	120.0°
HAS	NAS	CAN	HAN2	161.6°	120.0°
HAN1	CAN	CAZ	HAZ	151.4°	174.8°
HAN2	CAN	CAZ	HAZ	31.4°	65.1°
HAZ	CAZ	CAL	HAL1	175.3°	177.8°
HAZ	CAZ	CAL	HAL2	55.6°	57.7°
HAZ	CAZ	CAM	HAM1	56.8°	57.7°
HAZ	CAZ	CAM	HAM2	176.4°	177.8°
HAL1	CAL	CAJ	HAJ1	4.2°	59.3°
HAL1	CAL	CAJ	HAJ2	123.8°	179.3°
HAL2	CAL	CAJ	HAJ1	115.5°	60.8°
HAL2	CAL	CAJ	HAJ2	4.2°	59.1°
HAM1	CAM	CAK	HAK1	5.8°	59.1°
HAM1	CAM	CAK	HAK2	114.0°	60.8°
HAM2	CAM	CAK	HAK1	125.4°	179.3°
HAM2	CAM	CAK	HAK2	5.6°	59.3°
HAJ1	CAJ	NAR	HAR	169.9°	54.2°
HAJ2	CAJ	NAR	HAR	50.3°	65.8°
HAK1	CAK	NAR	HAR	49.1°	65.9°
HAK2	CAK	NAR	HAR	168.9°	54.2°

Definition date:	2011-11-12
Last modified:	2014-09-05
Release status:	REL
Processing site:	EBI
Derived from:	4A7C