D63

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
NAA	CAR	sing	1.38Å	1.34Å
NAB	CAR	doub	1.30Å	1.33Å
CAR	CAU	sing	1.48Å	1.40Å
CAU	CAM	doub	1.40Å	1.40Å	Aromatic
CAU	CAO	sing	1.39Å	1.39Å	Aromatic
CAM	CAN	sing	1.37Å	1.40Å	Aromatic
CAO	CBA	doub	1.40Å	1.39Å	Aromatic
CAN	CAZ	doub	1.39Å	1.39Å	Aromatic
CBA	CAZ	sing	1.41Å	1.39Å	Aromatic
CBA	NAQ	sing	1.35Å	1.31Å	Aromatic
CAZ	NAP	sing	1.38Å	1.34Å	Aromatic
NAQ	CAY	doub	1.31Å	1.34Å	Aromatic
NAP	CAY	sing	1.37Å	1.34Å	Aromatic
CAY	CAX	sing	1.48Å	1.39Å	Aromatic
CAX	CAL	doub	1.40Å	1.39Å	Aromatic
CAX	CAK	sing	1.40Å	1.40Å	Aromatic
CAL	CAJ	sing	1.38Å	1.38Å	Aromatic
CAK	CAI	doub	1.38Å	1.40Å	Aromatic
CAJ	CAW	doub	1.40Å	1.39Å	Aromatic
CAI	CAW	sing	1.40Å	1.40Å	Aromatic
CAW	CAV	sing	1.48Å	1.40Å	Aromatic
CAV	CAG	doub	1.40Å	1.40Å	Aromatic
CAV	CAH	sing	1.40Å	1.39Å	Aromatic
CAG	CAE	sing	1.38Å	1.39Å	Aromatic
CAH	CAF	doub	1.38Å	1.39Å	Aromatic
CAE	CAT	doub	1.40Å	1.40Å	Aromatic
CAF	CAT	sing	1.40Å	1.40Å	Aromatic
CAT	CAS	sing	1.48Å	1.54Å
CAS	NAC	sing	1.35Å	1.33Å
CAS	OAD	doub	1.22Å	1.23Å
NAA	HNAA	sing	0.97Å	1.00Å
NAA	HNAB	sing	0.97Å	1.00Å
NAB	HNAC	sing	0.97Å	1.00Å
NAC	HNAD	sing	0.97Å	1.00Å
NAC	HNAE	sing	0.97Å	1.00Å
CAE	HAE	sing	1.08Å	1.08Å
CAF	HAF	sing	1.08Å	1.08Å
CAG	HAG	sing	1.08Å	1.08Å
CAH	HAH	sing	1.08Å	1.08Å
CAI	HAI	sing	1.08Å	1.08Å
CAJ	HAJ	sing	1.08Å	1.08Å
CAK	HAK	sing	1.08Å	1.08Å
CAL	HAL	sing	1.08Å	1.08Å
CAM	HAM	sing	1.08Å	1.08Å
CAN	HAN	sing	1.08Å	1.08Å
CAO	HAO	sing	1.08Å	1.08Å
NAP	HNAP	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
NAA	CAR	NAB	119.8°	120.0°
NAA	CAR	CAU	120.1°	120.0°
CAR	NAA	HNAA	120.0°	119.9°
CAR	NAA	HNAB	120.0°	120.0°
NAB	CAR	CAU	120.0°	120.0°
CAR	NAB	HNAC	112.0°	119.9°
CAR	CAU	CAM	120.8°	119.9°
CAR	CAU	CAO	119.5°	119.9°
CAM	CAU	CAO	119.7°	120.2°
CAU	CAM	CAN	120.2°	120.5°
CAU	CAM	HAM	119.9°	119.7°
CAU	CAO	CBA	119.9°	119.5°
CAU	CAO	HAO	120.0°	120.2°
CAM	CAN	CAZ	119.6°	120.2°
CAN	CAM	HAM	119.9°	119.8°
CAM	CAN	HAN	120.2°	119.9°
CAO	CBA	CAZ	120.8°	119.5°
CAO	CBA	NAQ	131.9°	133.3°
CBA	CAO	HAO	120.1°	120.2°
CAN	CAZ	CBA	119.8°	120.1°
CAN	CAZ	NAP	133.0°	133.7°
CAZ	CAN	HAN	120.2°	119.9°
CAZ	CBA	NAQ	107.3°	107.2°
CBA	CAZ	NAP	107.2°	106.2°
CBA	NAQ	CAY	108.9°	109.6°
CAZ	NAP	CAY	107.8°	107.3°
CAZ	NAP	HNAP	126.1°	126.4°
NAQ	CAY	NAP	108.8°	109.8°
NAQ	CAY	CAX	123.8°	125.1°
NAP	CAY	CAX	127.3°	125.1°
CAY	NAP	HNAP	126.1°	126.3°
CAY	CAX	CAL	118.4°	120.0°
CAY	CAX	CAK	121.7°	120.0°
CAL	CAX	CAK	119.9°	120.0°
CAX	CAL	CAJ	120.6°	120.0°
CAX	CAL	HAL	119.7°	120.0°
CAX	CAK	CAI	119.4°	120.0°
CAX	CAK	HAK	120.3°	120.0°
CAL	CAJ	CAW	120.2°	120.0°
CAL	CAJ	HAJ	119.9°	120.0°
CAJ	CAL	HAL	119.7°	120.0°
CAK	CAI	CAW	120.2°	120.0°
CAK	CAI	HAI	119.9°	120.0°
CAI	CAK	HAK	120.3°	120.1°
CAJ	CAW	CAI	119.7°	120.0°
CAJ	CAW	CAV	119.0°	119.9°
CAW	CAJ	HAJ	119.9°	120.0°
CAI	CAW	CAV	121.3°	120.0°
CAW	CAI	HAI	119.9°	120.0°
CAW	CAV	CAG	120.6°	120.0°
CAW	CAV	CAH	119.5°	120.0°
CAG	CAV	CAH	119.8°	120.0°
CAV	CAG	CAE	120.1°	120.0°
CAV	CAG	HAG	119.9°	120.0°
CAV	CAH	CAF	120.1°	120.0°
CAV	CAH	HAH	119.9°	119.9°
CAG	CAE	CAT	119.9°	120.0°
CAG	CAE	HAE	120.1°	120.0°
CAE	CAG	HAG	120.0°	120.0°
CAH	CAF	CAT	120.1°	120.0°
CAH	CAF	HAF	120.0°	120.0°
CAF	CAH	HAH	120.0°	120.0°
CAE	CAT	CAF	120.0°	120.0°
CAE	CAT	CAS	120.4°	120.0°
CAT	CAE	HAE	120.1°	120.0°
CAF	CAT	CAS	119.5°	120.0°
CAT	CAF	HAF	119.9°	120.0°
CAT	CAS	NAC	115.3°	120.0°
CAT	CAS	OAD	121.0°	120.0°
NAC	CAS	OAD	123.7°	120.0°
CAS	NAC	HNAD	120.0°	120.0°
CAS	NAC	HNAE	120.0°	120.0°
HNAA	NAA	HNAB	120.0°	120.0°
HNAD	NAC	HNAE	120.0°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
NAA	CAR	NAB	CAU	178.1°	179.9°
NAA	CAR	CAU	CAM	154.6°	0.1°
NAA	CAR	CAU	CAO	25.8°	180.0°
CAR	NAA	HNAA	HNAB	180.0°	179.8°
NAA	CAR	NAB	HNAC	178.1°	180.0°
NAB	CAR	CAU	CAM	27.2°	180.0°
NAB	CAR	CAU	CAO	152.4°	0.1°
NAB	CAR	NAA	HNAA	178.1°	0.1°
NAB	CAR	NAA	HNAB	1.8°	179.7°
CAR	CAU	CAM	CAO	179.6°	179.9°
CAR	CAU	CAM	CAN	179.7°	179.9°
CAR	CAU	CAO	CBA	179.9°	179.4°
CAU	CAR	NAA	HNAA	0.0°	180.0°
CAU	CAR	NAA	HNAB	180.0°	0.2°
CAU	CAR	NAB	HNAC	0.0°	0.1°
CAR	CAU	CAM	HAM	0.3°	0.4°
CAR	CAU	CAO	HAO	0.2°	0.2°
CAU	CAM	CAN	HAM	180.0°	179.7°
CAM	CAU	CAO	CBA	0.3°	0.5°
CAU	CAM	CAN	CAZ	0.0°	0.3°
CAU	CAM	CAN	HAN	180.0°	179.7°
CAM	CAU	CAO	HAO	179.7°	179.7°
CAO	CAU	CAM	CAN	0.2°	0.0°
CAU	CAO	CBA	HAO	180.0°	179.2°
CAU	CAO	CBA	CAZ	0.2°	0.8°
CAU	CAO	CBA	NAQ	179.7°	180.0°
CAO	CAU	CAM	HAM	179.8°	179.7°
CAM	CAN	CAZ	HAN	180.0°	180.0°
CAM	CAN	CAZ	CBA	0.0°	0.1°
CAM	CAN	CAZ	NAP	179.9°	180.0°
CAO	CBA	CAZ	CAN	0.1°	0.5°
CAO	CBA	CAZ	NAQ	179.9°	179.4°
CAO	CBA	CAZ	NAP	179.9°	179.5°
CAO	CBA	NAQ	CAY	179.7°	179.5°
CAN	CAZ	CBA	NAP	180.0°	180.0°
CAN	CAZ	CBA	NAQ	179.8°	179.9°
CAN	CAZ	NAP	CAY	179.8°	180.0°
CAZ	CAN	CAM	HAM	180.0°	180.0°
CAN	CAZ	NAP	HNAP	0.2°	0.2°
CAZ	CBA	NAQ	CAY	0.4°	0.2°
CBA	CAZ	NAP	CAY	0.2°	0.1°
CBA	CAZ	CAN	HAN	179.9°	179.9°
CAZ	CBA	CAO	HAO	179.8°	180.0°
CBA	CAZ	NAP	HNAP	179.8°	179.8°
NAQ	CBA	CAZ	NAP	0.1°	0.1°
CBA	NAQ	CAY	NAP	0.5°	0.3°
CBA	NAQ	CAY	CAX	179.7°	179.7°
NAQ	CBA	CAO	HAO	0.3°	0.8°
CAZ	NAP	CAY	NAQ	0.4°	0.2°
CAZ	NAP	CAY	HNAP	180.0°	179.8°
CAZ	NAP	CAY	CAX	179.6°	179.8°
NAP	CAZ	CAN	HAN	0.1°	0.0°
NAQ	CAY	NAP	CAX	179.1°	180.0°
NAQ	CAY	CAX	CAL	15.6°	0.0°
NAQ	CAY	CAX	CAK	163.6°	179.6°
NAQ	CAY	NAP	HNAP	179.6°	180.0°
NAP	CAY	CAX	CAL	165.3°	180.0°
NAP	CAY	CAX	CAK	15.5°	0.3°
CAY	CAX	CAL	CAK	179.2°	179.6°
CAY	CAX	CAL	CAJ	179.0°	180.0°
CAY	CAX	CAK	CAI	179.5°	179.7°
CAY	CAX	CAK	HAK	0.5°	0.4°
CAY	CAX	CAL	HAL	0.9°	0.6°
CAX	CAY	NAP	HNAP	0.4°	0.0°
CAX	CAL	CAJ	HAL	180.0°	179.4°
CAL	CAX	CAK	CAI	0.3°	0.1°
CAX	CAL	CAJ	CAW	0.8°	0.6°
CAX	CAL	CAJ	HAJ	179.3°	180.0°
CAL	CAX	CAK	HAK	179.7°	180.0°
CAK	CAX	CAL	CAJ	0.2°	0.4°
CAX	CAK	CAI	HAK	180.0°	179.9°
CAX	CAK	CAI	CAW	0.1°	0.0°
CAX	CAK	CAI	HAI	179.9°	179.7°
CAK	CAX	CAL	HAL	179.9°	179.7°
CAL	CAJ	CAW	HAJ	180.0°	179.4°
CAL	CAJ	CAW	CAI	0.9°	0.6°
CAL	CAJ	CAW	CAV	179.6°	179.4°
CAK	CAI	CAW	CAJ	0.4°	0.3°
CAK	CAI	CAW	HAI	180.0°	179.7°
CAK	CAI	CAW	CAV	179.1°	179.7°
CAJ	CAW	CAI	CAV	178.6°	180.0°
CAJ	CAW	CAV	CAG	159.7°	0.0°
CAJ	CAW	CAV	CAH	18.9°	180.0°
CAJ	CAW	CAI	HAI	179.5°	180.0°
CAW	CAJ	CAL	HAL	179.3°	180.0°
CAI	CAW	CAV	CAG	19.0°	180.0°
CAI	CAW	CAV	CAH	162.4°	0.0°
CAI	CAW	CAJ	HAJ	179.1°	180.0°
CAW	CAI	CAK	HAK	179.8°	180.0°
CAW	CAV	CAG	CAH	178.6°	179.9°
CAW	CAV	CAG	CAE	179.3°	180.0°
CAW	CAV	CAH	CAF	179.4°	179.7°
CAW	CAV	CAG	HAG	0.8°	0.0°
CAW	CAV	CAH	HAH	0.6°	0.2°
CAV	CAW	CAI	HAI	0.9°	0.0°
CAV	CAW	CAJ	HAJ	0.5°	0.0°
CAV	CAG	CAE	HAG	180.0°	179.9°
CAG	CAV	CAH	CAF	0.7°	0.2°
CAV	CAG	CAE	CAT	0.3°	0.1°
CAV	CAG	CAE	HAE	179.8°	179.7°
CAG	CAV	CAH	HAH	179.3°	179.7°
CAH	CAV	CAG	CAE	0.6°	0.1°
CAV	CAH	CAF	HAH	180.0°	179.5°
CAV	CAH	CAF	CAT	0.5°	0.5°
CAV	CAH	CAF	HAF	179.5°	180.0°
CAH	CAV	CAG	HAG	179.4°	180.0°
CAG	CAE	CAT	HAE	180.0°	179.8°
CAG	CAE	CAT	CAF	0.0°	0.2°
CAG	CAE	CAT	CAS	179.7°	179.7°
CAH	CAF	CAT	CAE	0.1°	0.5°
CAH	CAF	CAT	HAF	180.0°	179.5°
CAH	CAF	CAT	CAS	179.6°	179.4°
CAE	CAT	CAF	CAS	179.7°	179.9°
CAE	CAT	CAS	NAC	12.3°	180.0°
CAE	CAT	CAS	OAD	168.7°	0.1°
CAE	CAT	CAF	HAF	179.9°	180.0°
CAT	CAE	CAG	HAG	179.8°	180.0°
CAF	CAT	CAS	NAC	167.4°	0.1°
CAF	CAT	CAS	OAD	11.6°	180.0°
CAF	CAT	CAE	HAE	179.9°	180.0°
CAT	CAF	CAH	HAH	179.6°	180.0°
CAT	CAS	NAC	OAD	178.9°	180.0°
CAT	CAS	NAC	HNAD	179.0°	180.0°
CAT	CAS	NAC	HNAE	1.1°	0.0°
CAS	CAT	CAE	HAE	0.3°	0.1°
CAS	CAT	CAF	HAF	0.4°	0.1°
CAS	NAC	HNAD	HNAE	180.0°	179.9°
OAD	CAS	NAC	HNAD	0.0°	0.0°
OAD	CAS	NAC	HNAE	180.0°	180.0°
HAE	CAE	CAG	HAG	0.2°	0.2°
HAF	CAF	CAH	HAH	0.4°	0.5°
HAI	CAI	CAK	HAK	0.1°	0.3°
HAJ	CAJ	CAL	HAL	0.7°	0.6°
HAM	CAM	CAN	HAN	0.0°	0.0°

Release date:	2012-09-07
Definition date:	2011-04-26
Last modified:	2012-09-07
Release status:	REL
Processing site:	PDBJ
Derived from:	3RFL