Q80

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CLBF	CAB	sing	1.74Å	1.80Å
CAC	CAB	doub	1.38Å	1.39Å	Aromatic
CAB	CAA	sing	1.38Å	1.39Å	Aromatic
CAC	CAD	sing	1.38Å	1.39Å	Aromatic
CAC	HAC	sing	1.08Å	1.08Å
CAD	CAE	doub	1.38Å	1.39Å	Aromatic
CAD	HAD	sing	1.08Å	1.08Å
CAA	CAF	doub	1.38Å	1.39Å	Aromatic
CAA	HAA	sing	1.08Å	1.08Å
CAE	CAF	sing	1.38Å	1.39Å	Aromatic
CAF	HAF	sing	1.08Å	1.08Å
CAE	CAG	sing	1.51Å	1.51Å
CAG	CAH	sing	1.53Å	1.52Å
CAG	HAG	sing	1.09Å	1.10Å
CAG	HAGA	sing	1.09Å	1.10Å
CAH	CAI	sing	1.53Å	1.53Å
CAH	HAH	sing	1.09Å	1.10Å
CAH	HAHA	sing	1.09Å	1.10Å
OAP	CAI	sing	1.44Å	1.43Å
CAI	OAS	sing	1.43Å	1.43Å
CAI	CAJ	sing	1.53Å	1.52Å
OAP	CAQ	sing	1.45Å	1.43Å
CAJ	NAK	sing	1.46Å	1.48Å
CAJ	HAJ	sing	1.09Å	1.10Å
CAJ	HAJA	sing	1.09Å	1.10Å
NAK	CAO	sing	1.35Å	1.44Å	Aromatic
NAK	CAL	sing	1.37Å	1.45Å	Aromatic
CAO	NAN	doub	1.31Å	1.35Å	Aromatic
CAO	HAO	sing	1.08Å	1.08Å
NAN	CAM	sing	1.34Å	1.35Å	Aromatic
CAL	CAM	doub	1.35Å	1.38Å	Aromatic
CAM	HAM	sing	1.08Å	1.08Å
CAL	HAL	sing	1.08Å	1.08Å
OAS	CAR	sing	1.44Å	1.43Å
CAQ	CAR	sing	1.55Å	1.52Å
CAR	HAR	sing	1.09Å	1.10Å
CAR	HARA	sing	1.09Å	1.10Å
CAT	CAQ	sing	1.53Å	1.52Å
CAQ	HAQ	sing	1.09Å	1.10Å
CAT	SAU	sing	1.81Å	1.77Å
CAT	HAT	sing	1.09Å	1.10Å
CAT	HATA	sing	1.09Å	1.10Å
CAV	SAU	sing	1.76Å	1.69Å
NAW	CAV	doub	1.32Å	1.35Å	Aromatic
CAV	CBA	sing	1.39Å	1.39Å	Aromatic
CAZ	CBA	doub	1.38Å	1.39Å	Aromatic
CBA	HBA	sing	1.08Å	1.08Å
CAX	NAW	sing	1.32Å	1.34Å	Aromatic
CAX	CAY	doub	1.38Å	1.39Å	Aromatic
CAX	HAX	sing	1.08Å	1.08Å
CBB	CAY	sing	1.51Å	1.49Å
CAY	CAZ	sing	1.39Å	1.39Å	Aromatic
CAZ	HAZ	sing	1.08Å	1.08Å
FBE	CBB	sing	1.40Å	1.31Å
FBD	CBB	sing	1.40Å	1.32Å
CBB	FBC	sing	1.40Å	1.32Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CLBF	CAB	CAC	119.3°	120.0°
CLBF	CAB	CAA	121.0°	120.0°
CAC	CAB	CAA	119.7°	120.0°
CAB	CAC	CAD	119.9°	120.0°
CAB	CAC	HAC	120.0°	120.1°
CAB	CAA	CAF	120.4°	120.0°
CAB	CAA	HAA	119.8°	120.0°
CAD	CAC	HAC	120.0°	120.0°
CAC	CAD	CAE	120.2°	120.0°
CAC	CAD	HAD	119.9°	120.0°
CAE	CAD	HAD	119.9°	120.0°
CAD	CAE	CAF	120.4°	120.0°
CAD	CAE	CAG	118.8°	119.9°
CAF	CAA	HAA	119.8°	120.0°
CAA	CAF	CAE	119.3°	120.0°
CAA	CAF	HAF	120.4°	120.0°
CAE	CAF	HAF	120.4°	120.0°
CAF	CAE	CAG	120.8°	120.0°
CAE	CAG	CAH	106.8°	109.5°
CAE	CAG	HAG	110.4°	109.4°
CAE	CAG	HAGA	110.9°	109.5°
CAH	CAG	HAG	110.4°	109.5°
CAH	CAG	HAGA	111.0°	109.5°
CAG	CAH	CAI	110.6°	109.5°
CAG	CAH	HAH	109.1°	109.5°
CAG	CAH	HAHA	108.9°	109.5°
HAG	CAG	HAGA	107.4°	109.5°
CAI	CAH	HAH	109.1°	109.5°
CAI	CAH	HAHA	108.9°	109.5°
CAH	CAI	OAP	112.2°	109.6°
CAH	CAI	OAS	108.9°	109.6°
CAH	CAI	CAJ	110.4°	109.6°
HAH	CAH	HAHA	110.3°	109.4°
OAP	CAI	OAS	106.3°	108.8°
OAP	CAI	CAJ	108.6°	109.5°
CAI	OAP	CAQ	106.1°	104.8°
OAS	CAI	CAJ	110.5°	109.7°
CAI	OAS	CAR	108.7°	107.3°
CAI	CAJ	NAK	112.4°	109.4°
CAI	CAJ	HAJ	108.5°	109.5°
CAI	CAJ	HAJA	107.8°	109.5°
OAP	CAQ	CAR	104.2°	101.7°
OAP	CAQ	CAT	113.1°	111.0°
OAP	CAQ	HAQ	110.7°	111.0°
NAK	CAJ	HAJ	108.5°	109.5°
NAK	CAJ	HAJA	107.8°	109.5°
CAJ	NAK	CAO	111.5°	126.4°
CAJ	NAK	CAL	109.0°	126.4°
HAJ	CAJ	HAJA	111.8°	109.5°
CAO	NAK	CAL	105.8°	107.2°
NAK	CAO	NAN	107.0°	108.7°
NAK	CAO	HAO	126.5°	125.7°
NAK	CAL	CAM	106.3°	106.8°
NAK	CAL	HAL	126.9°	126.6°
NAN	CAO	HAO	126.5°	125.6°
CAO	NAN	CAM	110.9°	109.2°
NAN	CAM	CAL	110.0°	108.0°
NAN	CAM	HAM	125.0°	126.0°
CAL	CAM	HAM	125.0°	126.0°
CAM	CAL	HAL	126.9°	126.6°
OAS	CAR	CAQ	105.3°	103.1°
OAS	CAR	HAR	110.9°	110.7°
OAS	CAR	HARA	111.8°	110.7°
CAQ	CAR	HAR	110.9°	110.7°
CAQ	CAR	HARA	111.8°	110.9°
CAR	CAQ	CAT	109.6°	110.9°
CAR	CAQ	HAQ	114.1°	111.0°
HAR	CAR	HARA	106.3°	110.6°
CAT	CAQ	HAQ	105.4°	110.9°
CAQ	CAT	SAU	111.4°	109.4°
CAQ	CAT	HAT	108.8°	109.5°
CAQ	CAT	HATA	108.4°	109.5°
SAU	CAT	HAT	108.8°	109.4°
SAU	CAT	HATA	108.4°	109.5°
CAT	SAU	CAV	107.9°	103.0°
HAT	CAT	HATA	111.0°	109.5°
SAU	CAV	NAW	118.7°	119.7°
SAU	CAV	CBA	120.1°	119.8°
NAW	CAV	CBA	121.2°	120.5°
CAV	NAW	CAX	120.6°	121.6°
CAV	CBA	CAZ	119.2°	119.2°
CAV	CBA	HBA	120.4°	120.4°
CAZ	CBA	HBA	120.4°	120.5°
CBA	CAZ	CAY	118.6°	118.5°
CBA	CAZ	HAZ	120.7°	120.8°
NAW	CAX	CAY	120.1°	120.9°
NAW	CAX	HAX	120.0°	119.5°
CAY	CAX	HAX	120.0°	119.6°
CAX	CAY	CBB	119.6°	120.3°
CAX	CAY	CAZ	120.4°	119.3°
CBB	CAY	CAZ	120.0°	120.4°
CAY	CBB	FBE	105.8°	109.4°
CAY	CBB	FBD	110.9°	109.5°
CAY	CBB	FBC	110.7°	109.5°
CAY	CAZ	HAZ	120.7°	120.7°
FBE	CBB	FBD	109.2°	109.5°
FBE	CBB	FBC	108.2°	109.5°
FBD	CBB	FBC	111.9°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CLBF	CAB	CAC	CAA	179.9°	179.7°
CLBF	CAB	CAC	CAD	179.9°	180.0°
CLBF	CAB	CAC	HAC	0.0°	0.0°
CLBF	CAB	CAA	CAF	179.9°	180.0°
CLBF	CAB	CAA	HAA	0.1°	0.0°
CAB	CAC	CAD	HAC	180.0°	180.0°
CAB	CAC	CAD	CAE	0.2°	0.0°
CAB	CAC	CAD	HAD	179.8°	180.0°
CAC	CAB	CAA	CAF	0.2°	0.3°
CAC	CAB	CAA	HAA	179.8°	179.7°
CAA	CAB	CAC	CAD	0.1°	0.3°
CAA	CAB	CAC	HAC	179.9°	179.7°
CAB	CAA	CAF	HAA	180.0°	180.0°
CAB	CAA	CAF	CAE	0.1°	0.0°
CAB	CAA	CAF	HAF	179.9°	180.0°
CAC	CAD	CAE	HAD	180.0°	180.0°
CAC	CAD	CAE	CAF	0.4°	0.3°
CAC	CAD	CAE	CAG	179.7°	179.9°
HAC	CAC	CAD	CAE	179.8°	180.0°
HAC	CAC	CAD	HAD	0.2°	0.0°
CAD	CAE	CAF	CAA	0.4°	0.3°
CAD	CAE	CAF	CAG	179.2°	179.7°
CAD	CAE	CAF	HAF	179.6°	179.7°
CAD	CAE	CAG	CAH	68.2°	90.0°
CAD	CAE	CAG	HAG	51.8°	150.0°
CAD	CAE	CAG	HAGA	170.7°	30.0°
HAD	CAD	CAE	CAF	179.5°	179.7°
HAD	CAD	CAE	CAG	0.3°	0.0°
CAA	CAF	CAE	HAF	180.0°	180.0°
CAA	CAF	CAE	CAG	179.6°	180.0°
HAA	CAA	CAF	CAE	180.0°	180.0°
HAA	CAA	CAF	HAF	0.0°	0.0°
CAF	CAE	CAG	CAH	111.0°	89.7°
CAF	CAE	CAG	HAG	129.0°	30.2°
CAF	CAE	CAG	HAGA	10.0°	150.2°
HAF	CAF	CAE	CAG	0.4°	0.1°
CAE	CAG	CAH	HAG	120.0°	120.0°
CAE	CAG	CAH	HAGA	121.0°	120.0°
CAE	CAG	HAG	HAGA	121.1°	120.0°
CAE	CAG	CAH	CAI	85.3°	180.0°
CAE	CAG	CAH	HAH	34.7°	60.0°
CAE	CAG	CAH	HAHA	155.1°	60.0°
CAH	CAG	HAG	HAGA	121.1°	120.0°
CAG	CAH	CAI	HAH	120.0°	120.0°
CAG	CAH	CAI	HAHA	119.5°	120.0°
CAG	CAH	HAH	HAHA	119.5°	120.0°
CAG	CAH	CAI	OAP	25.7°	60.1°
CAG	CAH	CAI	OAS	91.7°	59.3°
CAG	CAH	CAI	CAJ	146.9°	179.7°
HAG	CAG	CAH	CAI	154.7°	60.0°
HAG	CAG	CAH	HAH	85.3°	179.9°
HAG	CAG	CAH	HAHA	35.1°	60.0°
HAGA	CAG	CAH	CAI	35.7°	60.0°
HAGA	CAG	CAH	HAH	155.7°	60.0°
HAGA	CAG	CAH	HAHA	83.9°	180.0°
CAI	CAH	HAH	HAHA	119.6°	120.0°
CAH	CAI	OAP	OAS	118.9°	119.9°
CAH	CAI	OAP	CAJ	122.3°	120.3°
CAH	CAI	OAS	CAJ	121.4°	120.4°
CAH	CAI	OAP	CAQ	149.2°	144.2°
CAH	CAI	CAJ	NAK	91.0°	180.0°
CAH	CAI	CAJ	HAJ	149.0°	60.0°
CAH	CAI	CAJ	HAJA	27.7°	60.0°
CAH	CAI	OAS	CAR	139.2°	120.6°
HAH	CAH	CAI	OAP	94.3°	59.9°
HAH	CAH	CAI	OAS	148.3°	179.3°
HAH	CAH	CAI	CAJ	26.9°	60.3°
HAHA	CAH	CAI	OAP	145.3°	179.9°
HAHA	CAH	CAI	OAS	27.9°	60.7°
HAHA	CAH	CAI	CAJ	93.5°	59.7°
OAP	CAI	OAS	CAJ	117.6°	119.8°
OAP	CAI	CAJ	NAK	145.7°	59.7°
OAP	CAI	CAJ	HAJ	25.7°	60.3°
OAP	CAI	CAJ	HAJA	95.6°	179.7°
OAP	CAI	OAS	CAR	18.2°	0.7°
CAI	OAP	CAQ	CAR	29.6°	36.1°
CAI	OAP	CAQ	CAT	148.6°	154.2°
CAI	OAP	CAQ	HAQ	93.5°	82.0°
OAS	CAI	OAP	CAQ	30.3°	24.4°
OAS	CAI	CAJ	NAK	29.5°	59.6°
OAS	CAI	CAJ	HAJ	90.5°	179.7°
OAS	CAI	CAJ	HAJA	148.2°	60.3°
CAI	OAS	CAR	CAQ	0.2°	21.4°
CAI	OAS	CAR	HAR	120.2°	139.8°
CAI	OAS	CAR	HARA	121.4°	97.2°
CAJ	CAI	OAP	CAQ	88.6°	95.5°
CAI	CAJ	NAK	HAJ	120.0°	120.0°
CAI	CAJ	NAK	HAJA	118.7°	120.0°
CAI	CAJ	HAJ	HAJA	118.8°	120.0°
CAI	CAJ	NAK	CAO	39.0°	90.1°
CAI	CAJ	NAK	CAL	155.5°	90.3°
CAJ	CAI	OAS	CAR	99.4°	119.1°
OAP	CAQ	CAR	OAS	18.4°	35.6°
OAP	CAQ	CAR	CAT	121.3°	118.1°
OAP	CAQ	CAR	HAQ	120.8°	118.1°
OAP	CAQ	CAR	HAR	138.3°	154.0°
OAP	CAQ	CAR	HARA	103.2°	82.9°
OAP	CAQ	CAT	HAQ	121.0°	123.9°
OAP	CAQ	CAT	SAU	161.8°	66.5°
OAP	CAQ	CAT	HAT	78.2°	173.6°
OAP	CAQ	CAT	HATA	42.6°	53.5°
NAK	CAJ	HAJ	HAJA	118.8°	120.1°
CAJ	NAK	CAO	CAL	118.4°	179.6°
CAJ	NAK	CAO	NAN	118.3°	180.0°
CAJ	NAK	CAO	HAO	61.8°	0.1°
CAJ	NAK	CAL	CAM	119.9°	179.9°
CAJ	NAK	CAL	HAL	60.1°	0.1°
HAJ	CAJ	NAK	CAO	81.0°	29.9°
HAJ	CAJ	NAK	CAL	35.5°	149.7°
HAJA	CAJ	NAK	CAO	157.8°	149.9°
HAJA	CAJ	NAK	CAL	85.8°	29.6°
NAK	CAO	NAN	HAO	180.0°	179.9°
NAK	CAO	NAN	CAM	0.0°	0.0°
CAO	NAK	CAL	CAM	0.2°	0.5°
CAO	NAK	CAL	HAL	179.8°	179.7°
CAL	NAK	CAO	NAN	0.1°	0.3°
CAL	NAK	CAO	HAO	179.9°	179.8°
NAK	CAL	CAM	NAN	0.2°	0.4°
NAK	CAL	CAM	HAL	180.0°	179.8°
NAK	CAL	CAM	HAM	179.8°	179.8°
CAO	NAN	CAM	CAL	0.1°	0.3°
CAO	NAN	CAM	HAM	179.9°	180.0°
HAO	CAO	NAN	CAM	180.0°	179.9°
NAN	CAM	CAL	HAM	180.0°	179.8°
NAN	CAM	CAL	HAL	179.8°	179.7°
HAM	CAM	CAL	HAL	0.1°	0.1°
OAS	CAR	CAQ	HAR	120.0°	118.4°
OAS	CAR	CAQ	HARA	121.6°	118.5°
OAS	CAR	HAR	HARA	121.7°	123.0°
OAS	CAR	CAQ	CAT	139.6°	153.6°
OAS	CAR	CAQ	HAQ	102.5°	82.5°
CAQ	CAR	HAR	HARA	121.7°	123.3°
CAR	CAQ	CAT	HAQ	123.2°	123.9°
CAR	CAQ	CAT	SAU	82.5°	178.8°
CAR	CAQ	CAT	HAT	37.5°	61.3°
CAR	CAQ	CAT	HATA	158.4°	58.8°
HAR	CAR	CAQ	CAT	100.4°	87.9°
HAR	CAR	CAQ	HAQ	17.5°	35.9°
HARA	CAR	CAQ	CAT	18.1°	35.2°
HARA	CAR	CAQ	HAQ	136.0°	159.0°
CAQ	CAT	SAU	HAT	120.0°	120.0°
CAQ	CAT	SAU	HATA	119.2°	120.0°
CAQ	CAT	HAT	HATA	119.2°	120.1°
CAQ	CAT	SAU	CAV	142.4°	180.0°
HAQ	CAQ	CAT	SAU	40.7°	57.4°
HAQ	CAQ	CAT	HAT	160.8°	62.6°
HAQ	CAQ	CAT	HATA	78.4°	177.4°
SAU	CAT	HAT	HATA	119.2°	120.0°
CAT	SAU	CAV	NAW	43.0°	0.2°
CAT	SAU	CAV	CBA	136.4°	180.0°
HAT	CAT	SAU	CAV	97.6°	60.0°
HATA	CAT	SAU	CAV	23.2°	60.0°
SAU	CAV	NAW	CBA	179.4°	179.8°
SAU	CAV	CBA	CAZ	179.4°	180.0°
SAU	CAV	CBA	HBA	0.7°	0.0°
SAU	CAV	NAW	CAX	179.2°	179.9°
NAW	CAV	CBA	CAZ	0.0°	0.2°
NAW	CAV	CBA	HBA	180.0°	179.8°
CAV	NAW	CAX	CAY	0.6°	0.1°
CAV	NAW	CAX	HAX	179.4°	180.0°
CAV	CBA	CAZ	HBA	180.0°	180.0°
CBA	CAV	NAW	CAX	0.2°	0.2°
CAV	CBA	CAZ	CAY	0.2°	0.0°
CAV	CBA	CAZ	HAZ	179.8°	179.7°
CBA	CAZ	CAY	CAX	0.6°	0.2°
CBA	CAZ	CAY	CBB	178.8°	180.0°
CBA	CAZ	CAY	HAZ	180.0°	179.7°
HBA	CBA	CAZ	CAY	179.7°	180.0°
HBA	CBA	CAZ	HAZ	0.3°	0.3°
NAW	CAX	CAY	HAX	180.0°	180.0°
NAW	CAX	CAY	CBB	179.0°	179.9°
NAW	CAX	CAY	CAZ	0.8°	0.3°
CAX	CAY	CBB	CAZ	178.2°	179.8°
CAX	CAY	CAZ	HAZ	179.4°	180.0°
CAX	CAY	CBB	FBE	97.0°	120.0°
CAX	CAY	CBB	FBD	21.3°	120.0°
CAX	CAY	CBB	FBC	146.0°	0.1°
HAX	CAX	CAY	CBB	1.0°	0.0°
HAX	CAX	CAY	CAZ	179.2°	179.8°
CBB	CAY	CAZ	HAZ	1.2°	0.2°
CAY	CBB	FBE	FBD	119.4°	120.0°
CAY	CBB	FBE	FBC	118.7°	120.0°
CAY	CBB	FBD	FBC	124.1°	120.0°
CAZ	CAY	CBB	FBE	81.2°	59.8°
CAZ	CAY	CBB	FBD	160.6°	60.2°
CAZ	CAY	CBB	FBC	35.8°	179.7°
FBE	CBB	FBD	FBC	119.7°	120.0°

Definition date:	2009-06-04
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3HOK