1FO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OAA	CAQ	doub	1.22Å	1.24Å
OAB	CAR	doub	1.21Å	1.29Å
OAD	HOAD	sing	0.97Å	0.95Å
OAE	CAS	sing	1.36Å	1.40Å
CAG	CAH	doub	1.36Å	1.55Å
CAG	HAG	sing	1.08Å	1.08Å
CAH	CAV	sing	1.42Å	1.33Å
CAH	HAH	sing	1.08Å	1.08Å
CAI	CAQ	sing	1.47Å	1.52Å
CAI	HAI	sing	1.08Å	1.08Å
CAJ	CAK	sing	1.38Å	1.43Å	Aromatic
CAJ	HAJ	sing	1.08Å	1.08Å
CAK	CAU	doub	1.39Å	1.44Å	Aromatic
CAK	HAK	sing	1.08Å	1.08Å
CAL	CAJ	doub	1.38Å	1.44Å	Aromatic
CAL	HAL	sing	1.08Å	1.08Å
CAM	CAX	doub	1.39Å	1.32Å	Aromatic
CAM	HAM	sing	1.08Å	1.08Å
CAN	CAU	sing	1.38Å	1.46Å	Aromatic
CAN	HAN	sing	1.08Å	1.08Å
CAO	CAX	sing	1.41Å	1.38Å	Aromatic
CAO	HAO	sing	1.08Å	1.08Å
NAP	CAM	sing	1.34Å	1.33Å	Aromatic
NAP	HNAP	sing	0.97Å	1.00Å
CAQ	CAG	sing	1.41Å	1.53Å
CAR	OAD	sing	1.35Å	1.25Å
CAR	CAS	sing	1.48Å	1.63Å
CAS	CAI	doub	1.35Å	1.56Å
CAT	OAC	doub	1.22Å	1.23Å
CAT	CAW	sing	1.48Å	1.44Å
CAU	FAF	sing	1.35Å	1.41Å
CAV	CAO	doub	1.38Å	1.36Å	Aromatic
CAV	NAP	sing	1.38Å	1.30Å	Aromatic
CAW	CAL	sing	1.40Å	1.45Å	Aromatic
CAW	CAN	doub	1.40Å	1.47Å	Aromatic
CAX	CAT	sing	1.47Å	1.42Å
OAE	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OAA	CAQ	CAI	122.7°	120.0°
OAA	CAQ	CAG	123.2°	120.0°
OAB	CAR	OAD	113.7°	120.0°
OAB	CAR	CAS	125.3°	120.0°
HOAD	OAD	CAR	109.5°	117.0°
OAE	CAS	CAR	121.1°	120.0°
OAE	CAS	CAI	111.4°	120.0°
CAS	OAE	H12	109.5°	114.0°
CAH	CAG	HAG	123.2°	120.0°
CAG	CAH	CAV	118.6°	120.0°
CAG	CAH	HAH	120.7°	120.0°
CAH	CAG	CAQ	113.5°	120.0°
HAG	CAG	CAQ	123.2°	120.0°
CAV	CAH	HAH	120.7°	119.9°
CAH	CAV	CAO	133.0°	126.0°
CAH	CAV	NAP	120.7°	125.9°
CAQ	CAI	HAI	118.8°	120.0°
CAI	CAQ	CAG	114.2°	120.0°
CAQ	CAI	CAS	122.4°	120.0°
HAI	CAI	CAS	118.8°	120.0°
CAK	CAJ	HAJ	120.8°	119.8°
CAJ	CAK	CAU	123.4°	120.2°
CAJ	CAK	HAK	118.3°	119.9°
CAK	CAJ	CAL	118.3°	120.2°
HAJ	CAJ	CAL	120.8°	119.9°
CAU	CAK	HAK	118.3°	119.9°
CAK	CAU	CAN	115.9°	120.1°
CAK	CAU	FAF	122.1°	119.9°
CAJ	CAL	HAL	118.6°	120.0°
CAJ	CAL	CAW	122.7°	119.9°
HAL	CAL	CAW	118.6°	120.1°
CAX	CAM	HAM	126.9°	125.6°
CAM	CAX	CAO	103.0°	107.1°
CAX	CAM	NAP	106.3°	108.7°
CAM	CAX	CAT	125.5°	126.4°
HAM	CAM	NAP	126.8°	125.7°
CAU	CAN	HAN	118.1°	120.2°
CAN	CAU	FAF	122.0°	120.0°
CAU	CAN	CAW	123.8°	119.8°
HAN	CAN	CAW	118.1°	120.0°
CAX	CAO	HAO	126.6°	126.5°
CAX	CAO	CAV	106.8°	106.9°
CAO	CAX	CAT	131.5°	126.4°
HAO	CAO	CAV	126.6°	126.6°
CAM	NAP	HNAP	126.4°	125.3°
CAM	NAP	CAV	107.2°	109.3°
HNAP	NAP	CAV	126.4°	125.4°
OAD	CAR	CAS	121.0°	120.0°
CAR	CAS	CAI	122.5°	120.0°
OAC	CAT	CAW	116.1°	120.0°
OAC	CAT	CAX	120.7°	120.0°
CAT	CAW	CAL	120.6°	120.1°
CAT	CAW	CAN	123.5°	120.2°
CAW	CAT	CAX	123.2°	120.0°
CAO	CAV	NAP	106.3°	108.1°
CAL	CAW	CAN	115.9°	119.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OAA	CAQ	CAG	CAH	104.5°	0.1°
OAA	CAQ	CAG	HAG	75.5°	180.0°
OAA	CAQ	CAI	CAG	179.7°	179.9°
OAA	CAQ	CAI	HAI	178.3°	172.6°
OAA	CAQ	CAI	CAS	1.7°	7.3°
OAB	CAR	OAD	HOAD	0.0°	0.0°
OAB	CAR	CAS	OAE	27.2°	180.0°
OAB	CAR	OAD	CAS	179.5°	180.0°
OAB	CAR	CAS	CAI	179.9°	0.0°
HOAD	OAD	CAR	CAS	179.4°	180.0°
OAE	CAS	CAI	CAQ	53.8°	13.1°
OAE	CAS	CAI	HAI	126.2°	167.0°
OAE	CAS	CAR	OAD	153.4°	0.0°
OAE	CAS	CAR	CAI	152.8°	180.0°
CAH	CAG	HAG	CAQ	180.0°	180.0°
CAG	CAH	CAV	HAH	180.0°	180.0°
CAH	CAG	CAQ	CAI	75.2°	180.0°
CAG	CAH	CAV	CAO	97.2°	180.0°
CAG	CAH	CAV	NAP	80.3°	0.0°
HAG	CAG	CAH	CAV	33.3°	0.0°
HAG	CAG	CAH	HAH	146.7°	180.0°
HAG	CAG	CAQ	CAI	104.7°	0.1°
CAH	CAV	CAO	CAX	175.7°	180.0°
CAH	CAV	CAO	HAO	4.4°	0.1°
CAH	CAV	NAP	CAM	164.4°	180.0°
CAH	CAV	NAP	HNAP	15.6°	0.0°
CAV	CAH	CAG	CAQ	146.7°	180.0°
CAH	CAV	CAO	NAP	177.8°	180.0°
HAH	CAH	CAG	CAQ	33.3°	0.0°
HAH	CAH	CAV	CAO	82.8°	0.0°
HAH	CAH	CAV	NAP	99.7°	180.0°
CAQ	CAI	HAI	CAS	180.0°	179.9°
CAQ	CAI	CAS	CAR	151.1°	166.9°
HAI	CAI	CAQ	CAG	2.0°	7.5°
HAI	CAI	CAS	CAR	28.9°	13.0°
CAK	CAJ	HAJ	CAL	180.0°	179.8°
CAJ	CAK	CAU	HAK	180.0°	180.0°
CAK	CAJ	CAL	HAL	179.3°	179.9°
CAJ	CAK	CAU	CAN	0.2°	0.1°
CAJ	CAK	CAU	FAF	179.3°	180.0°
CAK	CAJ	CAL	CAW	0.7°	0.0°
HAJ	CAJ	CAK	CAU	179.7°	180.0°
HAJ	CAJ	CAK	HAK	0.3°	0.0°
HAJ	CAJ	CAL	HAL	0.7°	0.2°
HAJ	CAJ	CAL	CAW	179.3°	179.8°
CAU	CAK	CAJ	CAL	0.3°	0.2°
CAK	CAU	CAN	FAF	179.5°	180.0°
CAK	CAU	CAN	HAN	179.5°	180.0°
CAK	CAU	CAN	CAW	0.5°	0.5°
HAK	CAK	CAJ	CAL	179.7°	179.8°
HAK	CAK	CAU	CAN	179.7°	179.9°
HAK	CAK	CAU	FAF	0.7°	0.1°
CAJ	CAL	HAL	CAW	180.0°	180.0°
CAJ	CAL	CAW	CAT	179.9°	180.0°
CAJ	CAL	CAW	CAN	0.4°	0.5°
HAL	CAL	CAW	CAT	0.2°	0.0°
HAL	CAL	CAW	CAN	179.6°	179.5°
CAX	CAM	HAM	NAP	180.0°	179.6°
CAM	CAX	CAO	CAT	179.5°	179.8°
CAM	CAX	CAO	HAO	159.2°	179.9°
CAX	CAM	NAP	HNAP	148.3°	180.0°
CAM	CAX	CAT	OAC	141.0°	174.1°
CAM	CAX	CAT	CAW	36.9°	5.9°
CAM	CAX	CAO	CAV	20.7°	0.0°
CAX	CAM	NAP	CAV	31.7°	0.0°
HAM	CAM	CAX	CAO	148.5°	179.7°
HAM	CAM	NAP	HNAP	31.7°	0.3°
HAM	CAM	NAP	CAV	148.4°	179.7°
HAM	CAM	CAX	CAT	31.0°	0.0°
CAU	CAN	HAN	CAW	180.0°	179.5°
CAU	CAN	CAW	CAT	179.2°	179.7°
CAU	CAN	CAW	CAL	0.2°	0.7°
HAN	CAN	CAW	CAT	0.8°	0.3°
HAN	CAN	CAU	FAF	1.0°	0.0°
HAN	CAN	CAW	CAL	179.8°	179.8°
CAX	CAO	HAO	CAV	180.0°	180.0°
CAO	CAX	CAM	NAP	31.5°	0.0°
CAO	CAX	CAT	OAC	38.4°	5.6°
CAO	CAX	CAT	CAW	143.7°	174.3°
CAX	CAO	CAV	NAP	2.1°	0.0°
HAO	CAO	CAV	NAP	177.9°	180.0°
HAO	CAO	CAX	CAT	20.3°	0.3°
CAM	NAP	HNAP	CAV	180.0°	180.0°
CAM	NAP	CAV	CAO	17.5°	0.0°
NAP	CAM	CAX	CAT	149.0°	179.7°
HNAP	NAP	CAV	CAO	162.5°	180.0°
CAG	CAQ	CAI	CAS	178.0°	172.6°
OAD	CAR	CAS	CAI	0.7°	180.0°
CAR	CAS	OAE	H12	180.0°	174.4°
CAI	CAS	OAE	H12	24.5°	5.6°
OAC	CAT	CAW	CAX	178.0°	179.9°
OAC	CAT	CAW	CAL	121.7°	30.7°
OAC	CAT	CAW	CAN	58.9°	148.8°
CAT	CAW	CAL	CAN	179.4°	179.5°
FAF	CAU	CAN	CAW	179.1°	179.5°
CAV	CAO	CAX	CAT	159.8°	179.7°
CAL	CAW	CAT	CAX	60.3°	149.3°
CAN	CAW	CAT	CAX	119.0°	31.1°

Release date:	2013-09-04
Definition date:	2013-01-17
Last modified:	2013-08-30
Release status:	REL
Processing site:	RCSB
Derived from:	4IQT