KRG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAB	CAA	sing	1.53Å	1.53Å
CAA	HAA	sing	1.09Å	1.10Å
CAA	HAAA	sing	1.09Å	1.10Å
CAA	HAAB	sing	1.09Å	1.10Å
CAB	OAC	sing	1.43Å	1.45Å
CAB	HAB	sing	1.09Å	1.10Å
CAB	HABA	sing	1.09Å	1.10Å
CAD	OAC	sing	1.36Å	1.35Å
CAE	CAD	doub	1.38Å	1.39Å	Aromatic
CAD	CAI	sing	1.39Å	1.41Å	Aromatic
CAF	CAE	sing	1.40Å	1.38Å	Aromatic
CAE	HAE	sing	1.08Å	1.08Å
CAQ	CAF	sing	1.48Å	1.57Å
CAF	CAG	doub	1.39Å	1.40Å	Aromatic
CAG	CAH	sing	1.39Å	1.41Å	Aromatic
CAG	HAG	sing	1.08Å	1.08Å
CAH	CAI	doub	1.39Å	1.40Å	Aromatic
CAH	CAJ	sing	1.48Å	1.40Å
CAI	HAI	sing	1.08Å	1.08Å
CAO	CAJ	doub	1.37Å	1.40Å	Aromatic
CAJ	CAK	sing	1.42Å	1.40Å	Aromatic
CAK	NAM	doub	1.30Å	1.33Å	Aromatic
CAK	CAL	sing	1.51Å	1.52Å
CAL	HAL	sing	1.09Å	1.10Å
CAL	HALA	sing	1.09Å	1.10Å
CAL	HALB	sing	1.09Å	1.10Å
OAN	NAM	sing	1.21Å	1.42Å	Aromatic
CAO	OAN	sing	1.34Å	1.36Å	Aromatic
CAP	CAO	sing	1.51Å	1.53Å
CAP	HAP	sing	1.09Å	1.10Å
CAP	HAPA	sing	1.09Å	1.10Å
CAP	HAPB	sing	1.09Å	1.10Å
OAS	CAQ	doub	1.22Å	1.25Å
OAR	CAQ	sing	1.35Å	1.26Å
OAR	HOAR	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAB	CAA	HAA	109.5°	109.5°
CAB	CAA	HAAA	109.5°	109.5°
CAB	CAA	HAAB	109.4°	109.4°
CAA	CAB	OAC	107.5°	109.4°
CAA	CAB	HAB	110.1°	109.4°
CAA	CAB	HABA	110.2°	109.5°
HAA	CAA	HAAA	109.5°	109.5°
HAA	CAA	HAAB	109.5°	109.5°
HAAA	CAA	HAAB	109.5°	109.5°
OAC	CAB	HAB	110.1°	109.4°
OAC	CAB	HABA	110.1°	109.5°
CAB	OAC	CAD	114.9°	117.0°
HAB	CAB	HABA	108.8°	109.5°
OAC	CAD	CAE	119.3°	119.9°
OAC	CAD	CAI	119.1°	119.9°
CAE	CAD	CAI	121.6°	120.2°
CAD	CAE	CAF	120.3°	120.0°
CAD	CAE	HAE	119.9°	120.0°
CAD	CAI	CAH	118.9°	120.1°
CAD	CAI	HAI	120.6°	120.0°
CAF	CAE	HAE	119.9°	119.9°
CAE	CAF	CAQ	119.6°	120.1°
CAE	CAF	CAG	118.7°	119.8°
CAQ	CAF	CAG	121.7°	120.1°
CAF	CAQ	OAS	119.4°	120.0°
CAF	CAQ	OAR	118.4°	120.0°
CAF	CAG	CAH	122.1°	119.8°
CAF	CAG	HAG	119.0°	120.1°
CAH	CAG	HAG	118.9°	120.1°
CAG	CAH	CAI	118.5°	120.0°
CAG	CAH	CAJ	118.9°	120.0°
CAI	CAH	CAJ	122.5°	120.0°
CAH	CAI	HAI	120.6°	120.0°
CAH	CAJ	CAO	126.9°	128.1°
CAH	CAJ	CAK	126.7°	128.2°
CAO	CAJ	CAK	106.2°	103.7°
CAJ	CAO	OAN	108.6°	106.2°
CAJ	CAO	CAP	128.1°	126.9°
CAJ	CAK	NAM	109.6°	106.3°
CAJ	CAK	CAL	125.4°	126.8°
NAM	CAK	CAL	125.0°	126.8°
CAK	NAM	OAN	108.2°	111.9°
CAK	CAL	HAL	109.5°	109.4°
CAK	CAL	HALA	109.5°	109.4°
CAK	CAL	HALB	109.4°	109.5°
HAL	CAL	HALA	109.5°	109.5°
HAL	CAL	HALB	109.5°	109.5°
HALA	CAL	HALB	109.5°	109.5°
NAM	OAN	CAO	107.4°	111.8°
OAN	CAO	CAP	123.3°	126.9°
CAO	CAP	HAP	109.5°	109.5°
CAO	CAP	HAPA	109.5°	109.5°
CAO	CAP	HAPB	109.4°	109.5°
HAP	CAP	HAPA	109.4°	109.4°
HAP	CAP	HAPB	109.5°	109.5°
HAPA	CAP	HAPB	109.5°	109.4°
OAS	CAQ	OAR	122.2°	120.0°
CAQ	OAR	HOAR	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAB	CAA	HAA	HAAA	120.0°	120.0°
CAB	CAA	HAA	HAAB	120.0°	120.0°
CAB	CAA	HAAA	HAAB	120.0°	120.0°
CAA	CAB	OAC	HAB	120.0°	119.9°
CAA	CAB	OAC	HABA	120.0°	120.0°
CAA	CAB	HAB	HABA	120.8°	120.0°
CAA	CAB	OAC	CAD	176.3°	180.0°
HAA	CAA	HAAA	HAAB	120.0°	120.0°
HAA	CAA	CAB	OAC	180.0°	60.0°
HAA	CAA	CAB	HAB	60.0°	59.9°
HAA	CAA	CAB	HABA	60.0°	180.0°
HAAA	CAA	CAB	OAC	60.0°	60.0°
HAAA	CAA	CAB	HAB	60.0°	179.9°
HAAA	CAA	CAB	HABA	180.0°	60.0°
HAAB	CAA	CAB	OAC	60.0°	180.0°
HAAB	CAA	CAB	HAB	180.0°	60.1°
HAAB	CAA	CAB	HABA	60.0°	60.0°
OAC	CAB	HAB	HABA	120.8°	120.0°
CAB	OAC	CAD	CAE	52.0°	0.3°
CAB	OAC	CAD	CAI	130.1°	180.0°
HAB	CAB	OAC	CAD	63.7°	60.0°
HABA	CAB	OAC	CAD	56.3°	60.1°
OAC	CAD	CAE	CAI	177.8°	179.6°
OAC	CAD	CAE	CAF	179.3°	180.0°
OAC	CAD	CAE	HAE	0.7°	0.1°
OAC	CAD	CAI	CAH	179.4°	179.8°
OAC	CAD	CAI	HAI	0.6°	0.0°
CAD	CAE	CAF	HAE	180.0°	179.9°
CAD	CAE	CAF	CAQ	179.4°	179.9°
CAD	CAE	CAF	CAG	1.2°	0.1°
CAE	CAD	CAI	CAH	1.6°	0.6°
CAE	CAD	CAI	HAI	178.4°	179.7°
CAI	CAD	CAE	CAF	1.6°	0.3°
CAI	CAD	CAE	HAE	178.5°	179.7°
CAD	CAI	CAH	CAG	1.3°	0.5°
CAD	CAI	CAH	HAI	180.0°	179.8°
CAD	CAI	CAH	CAJ	179.9°	179.7°
CAE	CAF	CAQ	CAG	179.3°	180.0°
CAE	CAF	CAG	CAH	1.0°	0.0°
CAE	CAF	CAG	HAG	179.0°	180.0°
CAE	CAF	CAQ	OAS	165.6°	180.0°
CAE	CAF	CAQ	OAR	15.6°	0.0°
HAE	CAE	CAF	CAQ	0.6°	0.0°
HAE	CAE	CAF	CAG	178.8°	180.0°
CAQ	CAF	CAG	CAH	179.7°	180.0°
CAQ	CAF	CAG	HAG	0.4°	0.0°
CAF	CAQ	OAS	OAR	178.7°	180.0°
CAF	CAQ	OAR	HOAR	178.8°	180.0°
CAF	CAG	CAH	HAG	180.0°	179.9°
CAF	CAG	CAH	CAI	1.1°	0.2°
CAF	CAG	CAH	CAJ	179.9°	180.0°
CAG	CAF	CAQ	OAS	15.1°	0.0°
CAG	CAF	CAQ	OAR	163.7°	179.9°
CAG	CAH	CAI	CAJ	178.8°	179.8°
CAG	CAH	CAI	HAI	178.7°	179.7°
CAG	CAH	CAJ	CAO	39.7°	115.4°
CAG	CAH	CAJ	CAK	135.2°	65.0°
HAG	CAG	CAH	CAI	178.9°	179.8°
HAG	CAG	CAH	CAJ	0.1°	0.0°
CAI	CAH	CAJ	CAO	141.5°	64.9°
CAI	CAH	CAJ	CAK	43.6°	114.8°
CAJ	CAH	CAI	HAI	0.1°	0.0°
CAH	CAJ	CAO	CAK	175.8°	179.7°
CAH	CAJ	CAK	NAM	177.3°	179.9°
CAH	CAJ	CAK	CAL	2.6°	0.0°
CAH	CAJ	CAO	OAN	177.5°	179.9°
CAH	CAJ	CAO	CAP	4.3°	0.0°
CAO	CAJ	CAK	NAM	1.5°	0.2°
CAO	CAJ	CAK	CAL	178.4°	179.8°
CAJ	CAO	OAN	NAM	1.2°	0.4°
CAJ	CAO	OAN	CAP	178.4°	179.9°
CAJ	CAO	CAP	HAP	178.0°	90.0°
CAJ	CAO	CAP	HAPA	58.0°	150.0°
CAJ	CAO	CAP	HAPB	62.0°	30.0°
CAJ	CAK	NAM	CAL	179.9°	180.0°
CAJ	CAK	CAL	HAL	179.9°	90.0°
CAJ	CAK	CAL	HALA	59.9°	150.0°
CAJ	CAK	CAL	HALB	60.1°	30.0°
CAJ	CAK	NAM	OAN	0.8°	0.0°
CAK	CAJ	CAO	OAN	1.7°	0.4°
CAK	CAJ	CAO	CAP	179.9°	179.7°
NAM	CAK	CAL	HAL	0.0°	89.9°
NAM	CAK	CAL	HALA	120.0°	30.0°
NAM	CAK	CAL	HALB	120.0°	150.1°
CAK	NAM	OAN	CAO	0.3°	0.3°
CAK	CAL	HAL	HALA	120.0°	119.9°
CAK	CAL	HAL	HALB	120.0°	120.0°
CAK	CAL	HALA	HALB	120.0°	120.0°
CAL	CAK	NAM	OAN	179.1°	180.0°
HAL	CAL	HALA	HALB	120.0°	120.0°
NAM	OAN	CAO	CAP	179.6°	179.7°
OAN	CAO	CAP	HAP	0.0°	89.9°
OAN	CAO	CAP	HAPA	120.0°	30.1°
OAN	CAO	CAP	HAPB	120.0°	150.1°
CAO	CAP	HAP	HAPA	120.0°	120.0°
CAO	CAP	HAP	HAPB	120.0°	120.0°
CAO	CAP	HAPA	HAPB	120.0°	120.0°
HAP	CAP	HAPA	HAPB	120.0°	119.9°
OAS	CAQ	OAR	HOAR	0.0°	0.1°

Definition date:	2011-07-13
Last modified:	2011-08-05
Release status:	REL
Processing site:	RCSB
Derived from:	3SVH