P47

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OAA	CAP	sing	1.35Å	1.29Å
CAP	OAB	doub	1.22Å	1.28Å
CAP	CAD	sing	1.46Å	1.49Å
CAD	CAQ	doub	1.35Å	1.34Å
CAQ	CAT	sing	1.47Å	1.48Å
CAQ	CAN	sing	1.51Å	1.51Å
CAT	CAK	doub	1.40Å	1.40Å	Aromatic
CAT	CAJ	sing	1.40Å	1.42Å	Aromatic
CAK	CAG	sing	1.38Å	1.40Å	Aromatic
CAG	CAE	doub	1.38Å	1.39Å	Aromatic
CAE	CAF	sing	1.38Å	1.39Å	Aromatic
CAF	CAJ	doub	1.38Å	1.37Å	Aromatic
CAN	CAO	sing	1.53Å	1.52Å
CAO	CAS	sing	1.51Å	1.51Å
CAS	CAL	doub	1.38Å	1.40Å	Aromatic
CAS	CAM	sing	1.38Å	1.41Å	Aromatic
CAL	CAH	sing	1.38Å	1.37Å	Aromatic
CAM	CAI	doub	1.38Å	1.40Å	Aromatic
CAI	CAR	sing	1.38Å	1.42Å	Aromatic
CAR	CLAC	sing	1.74Å	1.77Å
CAR	CAH	doub	1.38Å	1.40Å	Aromatic
OAA	HOAA	sing	0.97Å	0.95Å
CAD	HAD	sing	1.08Å	1.08Å
CAK	HAK	sing	1.08Å	1.08Å
CAG	HAG	sing	1.08Å	1.08Å
CAE	HAE	sing	1.08Å	1.08Å
CAF	HAF	sing	1.08Å	1.08Å
CAJ	HAJ	sing	1.08Å	1.08Å
CAN	HAN	sing	1.09Å	1.10Å
CAN	HANA	sing	1.09Å	1.10Å
CAO	HAO	sing	1.09Å	1.10Å
CAO	HAOA	sing	1.09Å	1.10Å
CAL	HAL	sing	1.08Å	1.08Å
CAM	HAM	sing	1.08Å	1.08Å
CAI	HAI	sing	1.08Å	1.08Å
CAH	HAH	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OAA	CAP	OAB	126.7°	120.0°
OAA	CAP	CAD	117.8°	120.0°
CAP	OAA	HOAA	109.5°	114.0°
OAB	CAP	CAD	115.4°	120.0°
CAP	CAD	CAQ	125.0°	120.0°
CAP	CAD	HAD	117.5°	120.0°
CAD	CAQ	CAT	122.9°	120.0°
CAD	CAQ	CAN	115.4°	120.0°
CAQ	CAD	HAD	117.5°	120.0°
CAT	CAQ	CAN	121.5°	120.0°
CAQ	CAT	CAK	121.8°	120.2°
CAQ	CAT	CAJ	117.4°	120.2°
CAQ	CAN	CAO	119.1°	109.5°
CAQ	CAN	HAN	106.4°	109.4°
CAQ	CAN	HANA	104.1°	109.5°
CAK	CAT	CAJ	120.7°	119.7°
CAT	CAK	CAG	120.8°	119.8°
CAT	CAK	HAK	119.6°	120.1°
CAT	CAJ	CAF	117.7°	119.8°
CAT	CAJ	HAJ	121.1°	120.1°
CAK	CAG	CAE	117.7°	120.2°
CAG	CAK	HAK	119.6°	120.1°
CAK	CAG	HAG	121.2°	119.9°
CAG	CAE	CAF	121.2°	120.3°
CAE	CAG	HAG	121.1°	120.0°
CAG	CAE	HAE	119.4°	119.8°
CAE	CAF	CAJ	121.8°	120.2°
CAF	CAE	HAE	119.4°	119.9°
CAE	CAF	HAF	119.1°	119.9°
CAJ	CAF	HAF	119.1°	119.9°
CAF	CAJ	HAJ	121.2°	120.1°
CAN	CAO	CAS	101.8°	109.5°
CAO	CAN	HAN	106.4°	109.5°
CAO	CAN	HANA	104.2°	109.5°
CAN	CAO	HAO	112.1°	109.5°
CAN	CAO	HAOA	113.7°	109.4°
CAO	CAS	CAL	116.7°	120.0°
CAO	CAS	CAM	121.2°	120.0°
CAS	CAO	HAO	112.1°	109.5°
CAS	CAO	HAOA	113.7°	109.5°
CAL	CAS	CAM	122.1°	120.0°
CAS	CAL	CAH	120.5°	120.0°
CAS	CAL	HAL	119.7°	120.0°
CAS	CAM	CAI	118.5°	120.0°
CAS	CAM	HAM	120.7°	120.0°
CAL	CAH	CAR	117.3°	120.0°
CAH	CAL	HAL	119.8°	120.0°
CAL	CAH	HAH	121.4°	120.0°
CAM	CAI	CAR	117.2°	120.1°
CAI	CAM	HAM	120.7°	120.0°
CAM	CAI	HAI	121.4°	120.0°
CAI	CAR	CLAC	120.8°	120.1°
CAI	CAR	CAH	124.3°	119.9°
CAR	CAI	HAI	121.4°	120.0°
CLAC	CAR	CAH	114.9°	120.0°
CAR	CAH	HAH	121.3°	120.0°
HAN	CAN	HANA	117.4°	109.5°
HAO	CAO	HAOA	103.7°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OAA	CAP	OAB	CAD	178.7°	180.0°
OAA	CAP	CAD	CAQ	46.8°	180.0°
OAA	CAP	CAD	HAD	133.2°	0.1°
OAB	CAP	CAD	CAQ	132.0°	0.0°
OAB	CAP	OAA	HOAA	0.0°	0.0°
OAB	CAP	CAD	HAD	48.0°	180.0°
CAP	CAD	CAQ	HAD	180.0°	179.9°
CAP	CAD	CAQ	CAT	4.6°	0.0°
CAP	CAD	CAQ	CAN	179.5°	180.0°
CAD	CAP	OAA	HOAA	178.7°	180.0°
CAD	CAQ	CAT	CAN	174.7°	180.0°
CAD	CAQ	CAT	CAK	118.8°	65.0°
CAD	CAQ	CAT	CAJ	58.2°	115.3°
CAD	CAQ	CAN	CAO	118.5°	95.0°
CAD	CAQ	CAN	HAN	1.5°	145.0°
CAD	CAQ	CAN	HANA	126.1°	25.0°
CAQ	CAT	CAK	CAJ	176.9°	179.7°
CAQ	CAT	CAK	CAG	179.4°	180.0°
CAQ	CAT	CAJ	CAF	179.2°	179.8°
CAT	CAQ	CAN	CAO	66.5°	85.0°
CAT	CAQ	CAD	HAD	175.4°	180.0°
CAQ	CAT	CAK	HAK	0.6°	0.1°
CAQ	CAT	CAJ	HAJ	0.8°	0.0°
CAT	CAQ	CAN	HAN	173.5°	35.0°
CAT	CAQ	CAN	HANA	48.9°	155.0°
CAN	CAQ	CAT	CAK	66.6°	115.0°
CAN	CAQ	CAT	CAJ	116.5°	64.7°
CAQ	CAN	CAO	HAN	120.0°	120.0°
CAQ	CAN	CAO	HANA	115.4°	120.0°
CAQ	CAN	CAO	CAS	135.6°	180.0°
CAN	CAQ	CAD	HAD	0.5°	0.1°
CAQ	CAN	HAN	HANA	116.0°	120.0°
CAQ	CAN	CAO	HAO	15.6°	60.0°
CAQ	CAN	CAO	HAOA	101.6°	60.0°
CAT	CAK	CAG	HAK	180.0°	180.0°
CAT	CAK	CAG	CAE	2.6°	0.0°
CAK	CAT	CAJ	CAF	2.2°	0.5°
CAT	CAK	CAG	HAG	177.4°	180.0°
CAK	CAT	CAJ	HAJ	177.8°	179.7°
CAJ	CAT	CAK	CAG	2.5°	0.3°
CAT	CAJ	CAF	CAE	2.0°	0.5°
CAT	CAJ	CAF	HAJ	180.0°	179.8°
CAJ	CAT	CAK	HAK	177.4°	179.8°
CAT	CAJ	CAF	HAF	178.0°	179.8°
CAK	CAG	CAE	HAG	180.0°	180.0°
CAK	CAG	CAE	CAF	2.3°	0.0°
CAK	CAG	CAE	HAE	177.7°	180.0°
CAG	CAE	CAF	HAE	180.0°	180.0°
CAG	CAE	CAF	CAJ	2.2°	0.2°
CAE	CAG	CAK	HAK	177.4°	179.9°
CAG	CAE	CAF	HAF	177.9°	179.9°
CAE	CAF	CAJ	HAF	180.0°	179.7°
CAF	CAE	CAG	HAG	177.6°	180.0°
CAE	CAF	CAJ	HAJ	178.0°	179.7°
CAJ	CAF	CAE	HAE	177.8°	179.7°
CAN	CAO	CAS	HAO	120.0°	120.1°
CAN	CAO	CAS	HAOA	122.7°	119.9°
CAN	CAO	CAS	CAL	132.4°	90.0°
CAN	CAO	CAS	CAM	46.1°	90.2°
CAO	CAN	HAN	HANA	116.1°	120.0°
CAN	CAO	HAO	HAOA	123.1°	120.0°
CAO	CAS	CAL	CAM	178.5°	179.7°
CAO	CAS	CAL	CAH	177.7°	180.0°
CAO	CAS	CAM	CAI	179.0°	179.9°
CAS	CAO	CAN	HAN	104.4°	60.0°
CAS	CAO	CAN	HANA	20.3°	60.1°
CAS	CAO	HAO	HAOA	123.1°	120.0°
CAO	CAS	CAL	HAL	2.3°	0.0°
CAO	CAS	CAM	HAM	1.0°	0.0°
CAS	CAL	CAH	HAL	180.0°	180.0°
CAL	CAS	CAM	CAI	0.6°	0.2°
CAS	CAL	CAH	CAR	1.7°	0.0°
CAL	CAS	CAO	HAO	12.4°	30.0°
CAL	CAS	CAO	HAOA	104.9°	150.0°
CAL	CAS	CAM	HAM	179.4°	179.7°
CAS	CAL	CAH	HAH	178.3°	180.0°
CAM	CAS	CAL	CAH	0.8°	0.2°
CAS	CAM	CAI	HAM	180.0°	179.9°
CAS	CAM	CAI	CAR	0.9°	0.1°
CAM	CAS	CAO	HAO	166.1°	149.7°
CAM	CAS	CAO	HAOA	76.6°	29.7°
CAM	CAS	CAL	HAL	179.2°	179.7°
CAS	CAM	CAI	HAI	179.1°	180.0°
CAL	CAH	CAR	CAI	1.4°	0.3°
CAL	CAH	CAR	CLAC	179.2°	180.0°
CAL	CAH	CAR	HAH	180.0°	180.0°
CAM	CAI	CAR	HAI	180.0°	179.9°
CAM	CAI	CAR	CLAC	179.4°	180.0°
CAM	CAI	CAR	CAH	0.1°	0.3°
CAI	CAR	CLAC	CAH	179.4°	179.7°
CAR	CAI	CAM	HAM	179.1°	180.0°
CAI	CAR	CAH	HAH	178.6°	179.7°
CLAC	CAR	CAI	HAI	0.6°	0.0°
CLAC	CAR	CAH	HAH	0.8°	0.0°
CAR	CAH	CAL	HAL	178.2°	179.9°
CAH	CAR	CAI	HAI	179.9°	179.8°
HAK	CAK	CAG	HAG	2.6°	0.0°
HAG	CAG	CAE	HAE	2.4°	0.0°
HAE	CAE	CAF	HAF	2.2°	0.0°
HAF	CAF	CAJ	HAJ	2.0°	0.0°
HAN	CAN	CAO	HAO	135.6°	179.9°
HAN	CAN	CAO	HAOA	18.4°	60.0°
HANA	CAN	CAO	HAO	99.7°	60.0°
HANA	CAN	CAO	HAOA	143.0°	180.0°
HAL	CAL	CAH	HAH	1.7°	0.0°
HAM	CAM	CAI	HAI	0.9°	0.1°

Definition date:	2009-06-30
Last modified:	2011-06-04
Release status:	REL
Processing site:	PDBJ
Derived from:	3HRF