3O0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
NAA	CAH	sing	1.38Å	1.33Å
CAC	CAM	sing	1.38Å	1.40Å	Aromatic
CAD	CAC	doub	1.38Å	1.40Å	Aromatic
CAE	CAD	sing	1.40Å	1.39Å	Aromatic
CAE	CAO	doub	1.40Å	1.39Å	Aromatic
CAF	CAE	sing	1.48Å	1.53Å
CAG	CAF	sing	1.41Å	1.54Å
CAG	SAQ	sing	1.76Å	1.69Å	Aromatic
CAH	CAG	doub	1.38Å	1.40Å	Aromatic
NAI	CAH	sing	1.31Å	1.35Å	Aromatic
NAI	CAR	doub	1.30Å	1.35Å	Aromatic
CAJ	CAT	doub	1.39Å	1.40Å	Aromatic
CAJ	CAK	sing	1.38Å	1.39Å	Aromatic
CAK	CAL	doub	1.38Å	1.39Å	Aromatic
CAL	CLA	sing	1.74Å	1.73Å
CAL	CAV	sing	1.38Å	1.40Å	Aromatic
CAN	CAM	doub	1.38Å	1.39Å	Aromatic
CAN	NAX	sing	1.48Å	1.32Å
CAO	CAN	sing	1.38Å	1.39Å	Aromatic
OAP	CAF	doub	1.22Å	1.23Å
CAR	SAQ	sing	1.71Å	1.71Å	Aromatic
NAS	CAR	sing	1.38Å	1.34Å
NAS	CAT	sing	1.40Å	1.34Å
CAT	CAU	sing	1.39Å	1.40Å	Aromatic
CAU	CAV	doub	1.38Å	1.40Å	Aromatic
NAX	OAW	doub	1.22Å	1.43Å
OAY	NAX	sing	1.22Å	1.42Å
NAA	HNAA	sing	0.97Å	1.00Å
NAA	HNAB	sing	0.97Å	1.00Å
CAC	HAC	sing	1.08Å	1.08Å
CAD	HAD	sing	1.08Å	1.08Å
CAJ	HAJ	sing	1.08Å	1.08Å
CAK	HAK	sing	1.08Å	1.08Å
CAM	HAM	sing	1.08Å	1.08Å
CAO	HAO	sing	1.08Å	1.08Å
NAS	HNAS	sing	0.97Å	1.00Å
CAU	HAU	sing	1.08Å	1.08Å
CAV	HAV	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
NAA	CAH	CAG	122.4°	123.2°
NAA	CAH	NAI	122.7°	123.2°
CAH	NAA	HNAA	109.5°	120.0°
CAH	NAA	HNAB	109.5°	120.0°
CAM	CAC	CAD	120.0°	120.1°
CAC	CAM	CAN	119.4°	120.3°
CAM	CAC	HAC	120.0°	119.9°
CAC	CAM	HAM	120.3°	119.9°
CAC	CAD	CAE	120.3°	119.9°
CAD	CAC	HAC	120.0°	120.0°
CAC	CAD	HAD	119.9°	120.0°
CAD	CAE	CAO	119.6°	119.7°
CAD	CAE	CAF	121.9°	120.1°
CAE	CAD	HAD	119.8°	120.1°
CAO	CAE	CAF	118.5°	120.1°
CAE	CAO	CAN	120.5°	119.9°
CAE	CAO	HAO	119.8°	120.1°
CAE	CAF	CAG	120.5°	120.0°
CAE	CAF	OAP	119.2°	120.0°
CAF	CAG	SAQ	126.2°	126.1°
CAF	CAG	CAH	126.3°	126.1°
CAG	CAF	OAP	120.3°	120.0°
SAQ	CAG	CAH	107.6°	107.7°
CAG	SAQ	CAR	94.1°	90.5°
CAG	CAH	NAI	114.8°	113.6°
CAH	NAI	CAR	113.9°	117.3°
NAI	CAR	SAQ	109.6°	110.9°
NAI	CAR	NAS	122.9°	124.5°
CAT	CAJ	CAK	121.2°	120.0°
CAJ	CAT	NAS	116.3°	120.1°
CAJ	CAT	CAU	119.1°	119.9°
CAT	CAJ	HAJ	119.4°	120.0°
CAJ	CAK	CAL	119.5°	120.1°
CAK	CAJ	HAJ	119.4°	120.1°
CAJ	CAK	HAK	120.2°	120.0°
CAK	CAL	CLA	118.6°	119.9°
CAK	CAL	CAV	120.2°	120.1°
CAL	CAK	HAK	120.2°	119.9°
CLA	CAL	CAV	121.2°	119.9°
CAL	CAV	CAU	120.0°	120.1°
CAL	CAV	HAV	120.0°	120.0°
CAM	CAN	NAX	121.8°	119.9°
CAM	CAN	CAO	120.2°	120.1°
CAN	CAM	HAM	120.3°	119.8°
NAX	CAN	CAO	118.0°	119.9°
CAN	NAX	OAW	121.2°	120.0°
CAN	NAX	OAY	118.8°	120.0°
CAN	CAO	HAO	119.7°	120.1°
SAQ	CAR	NAS	127.5°	124.6°
CAR	NAS	CAT	128.6°	120.0°
CAR	NAS	HNAS	115.7°	120.0°
NAS	CAT	CAU	124.6°	120.0°
CAT	NAS	HNAS	115.7°	120.0°
CAT	CAU	CAV	120.0°	119.9°
CAT	CAU	HAU	120.0°	120.0°
CAV	CAU	HAU	120.0°	120.1°
CAU	CAV	HAV	120.0°	119.9°
OAW	NAX	OAY	120.0°	120.0°
HNAA	NAA	HNAB	109.5°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
NAA	CAH	CAG	CAF	0.4°	0.1°
NAA	CAH	CAG	SAQ	179.5°	179.8°
NAA	CAH	CAG	NAI	179.5°	180.0°
NAA	CAH	NAI	CAR	179.5°	180.0°
CAH	NAA	HNAA	HNAB	120.0°	179.8°
CAM	CAC	CAD	HAC	180.0°	179.8°
CAM	CAC	CAD	CAE	0.1°	0.1°
CAC	CAM	CAN	HAM	180.0°	179.9°
CAC	CAM	CAN	NAX	179.5°	179.9°
CAC	CAM	CAN	CAO	0.1°	0.5°
CAM	CAC	CAD	HAD	179.9°	179.9°
CAC	CAD	CAE	HAD	180.0°	180.0°
CAC	CAD	CAE	CAO	0.6°	0.0°
CAC	CAD	CAE	CAF	179.8°	180.0°
CAD	CAC	CAM	CAN	0.3°	0.2°
CAD	CAC	CAM	HAM	179.7°	179.7°
CAD	CAE	CAO	CAF	179.2°	180.0°
CAD	CAE	CAF	CAG	31.2°	153.3°
CAD	CAE	CAO	CAN	0.8°	0.3°
CAD	CAE	CAF	OAP	147.8°	26.7°
CAE	CAD	CAC	HAC	179.9°	179.7°
CAD	CAE	CAO	HAO	179.2°	179.9°
CAO	CAE	CAF	CAG	149.6°	26.7°
CAE	CAO	CAN	CAM	0.4°	0.5°
CAE	CAO	CAN	NAX	180.0°	180.0°
CAE	CAO	CAN	HAO	180.0°	179.7°
CAO	CAE	CAF	OAP	31.4°	153.3°
CAO	CAE	CAD	HAD	179.4°	180.0°
CAE	CAF	CAG	OAP	179.0°	180.0°
CAE	CAF	CAG	SAQ	6.1°	6.4°
CAE	CAF	CAG	CAH	172.8°	173.3°
CAF	CAE	CAO	CAN	180.0°	179.7°
CAF	CAE	CAD	HAD	0.2°	0.0°
CAF	CAE	CAO	HAO	0.0°	0.1°
CAF	CAG	SAQ	CAH	179.1°	179.7°
CAF	CAG	CAH	NAI	179.1°	180.0°
CAF	CAG	SAQ	CAR	179.0°	179.9°
SAQ	CAG	CAH	NAI	0.0°	0.3°
CAG	SAQ	CAR	NAI	0.1°	0.3°
SAQ	CAG	CAF	OAP	174.9°	173.7°
CAG	SAQ	CAR	NAS	180.0°	179.9°
CAG	CAH	NAI	CAR	0.1°	0.0°
CAH	CAG	CAF	OAP	6.2°	6.7°
CAH	CAG	SAQ	CAR	0.1°	0.4°
CAG	CAH	NAA	HNAA	179.5°	0.0°
CAG	CAH	NAA	HNAB	60.5°	179.8°
CAH	NAI	CAR	SAQ	0.1°	0.2°
CAH	NAI	CAR	NAS	180.0°	180.0°
NAI	CAH	NAA	HNAA	0.0°	179.9°
NAI	CAH	NAA	HNAB	120.0°	0.3°
NAI	CAR	SAQ	NAS	179.9°	179.7°
NAI	CAR	NAS	CAT	166.3°	6.7°
NAI	CAR	NAS	HNAS	13.7°	173.4°
CAT	CAJ	CAK	HAJ	180.0°	179.7°
CAT	CAJ	CAK	CAL	0.4°	0.0°
CAJ	CAT	NAS	CAR	169.8°	26.7°
CAJ	CAT	NAS	CAU	180.0°	180.0°
CAJ	CAT	CAU	CAV	0.2°	0.0°
CAT	CAJ	CAK	HAK	179.6°	180.0°
CAJ	CAT	NAS	HNAS	10.2°	153.2°
CAJ	CAT	CAU	HAU	179.8°	180.0°
CAJ	CAK	CAL	HAK	180.0°	180.0°
CAJ	CAK	CAL	CLA	179.9°	180.0°
CAJ	CAK	CAL	CAV	0.5°	0.0°
CAK	CAJ	CAT	NAS	179.9°	180.0°
CAK	CAJ	CAT	CAU	0.1°	0.0°
CAK	CAL	CLA	CAV	179.7°	179.9°
CAK	CAL	CAV	CAU	0.2°	0.1°
CAL	CAK	CAJ	HAJ	179.6°	179.7°
CAK	CAL	CAV	HAV	179.8°	180.0°
CLA	CAL	CAV	CAU	179.9°	180.0°
CLA	CAL	CAK	HAK	0.1°	0.0°
CLA	CAL	CAV	HAV	0.1°	0.1°
CAL	CAV	CAU	CAT	0.1°	0.1°
CAL	CAV	CAU	HAV	180.0°	179.9°
CAV	CAL	CAK	HAK	179.5°	180.0°
CAL	CAV	CAU	HAU	179.9°	180.0°
CAM	CAN	NAX	CAO	179.6°	179.4°
CAM	CAN	NAX	OAW	5.7°	0.0°
CAM	CAN	NAX	OAY	173.2°	179.9°
CAN	CAM	CAC	HAC	179.7°	180.0°
CAM	CAN	CAO	HAO	179.6°	179.8°
CAN	NAX	OAW	OAY	178.9°	179.9°
NAX	CAN	CAM	HAM	0.6°	0.0°
NAX	CAN	CAO	HAO	0.0°	0.4°
CAO	CAN	NAX	OAW	174.7°	179.4°
CAO	CAN	NAX	OAY	6.4°	0.6°
CAO	CAN	CAM	HAM	179.8°	179.4°
SAQ	CAR	NAS	CAT	13.8°	173.0°
SAQ	CAR	NAS	HNAS	166.2°	6.9°
CAR	NAS	CAT	HNAS	180.0°	180.0°
CAR	NAS	CAT	CAU	10.2°	153.2°
NAS	CAT	CAU	CAV	179.8°	179.9°
NAS	CAT	CAJ	HAJ	0.1°	0.3°
NAS	CAT	CAU	HAU	0.2°	0.0°
CAT	CAU	CAV	HAU	180.0°	180.0°
CAU	CAT	CAJ	HAJ	179.9°	179.7°
CAU	CAT	NAS	HNAS	169.8°	26.8°
CAT	CAU	CAV	HAV	179.9°	180.0°
HAC	CAC	CAD	HAD	0.1°	0.2°
HAC	CAC	CAM	HAM	0.3°	0.1°
HAJ	CAJ	CAK	HAK	0.4°	0.3°
HAU	CAU	CAV	HAV	0.1°	0.1°

Definition date:	2010-07-20
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB