72H

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAL	CAK	doub	1.41Å	1.35Å	Aromatic
CAL	CAG	sing	1.39Å	1.35Å	Aromatic
CAK	CAP	sing	1.41Å	1.39Å	Aromatic
CAK	CAJ	sing	1.42Å	1.37Å	Aromatic
CAP	CAO	doub	1.36Å	1.38Å	Aromatic
CAO	CAN	sing	1.39Å	1.38Å	Aromatic
CAN	CAM	doub	1.36Å	1.39Å	Aromatic
CAM	CAJ	sing	1.41Å	1.38Å	Aromatic
CAJ	NAI	doub	1.34Å	1.34Å	Aromatic
NAI	CAH	sing	1.31Å	1.35Å	Aromatic
CAH	CAG	doub	1.40Å	1.39Å	Aromatic
CAG	CAE	sing	1.48Å	1.51Å
CAE	CAD	doub	1.39Å	1.51Å	Aromatic
CAE	CAF	sing	1.39Å	1.32Å	Aromatic
CAD	CAC	sing	1.38Å	1.30Å	Aromatic
CAC	CAB	doub	1.38Å	1.51Å	Aromatic
CAB	SAQ	sing	1.76Å	1.81Å
CAB	CAA	sing	1.38Å	1.32Å	Aromatic
SAQ	OAR	doub	1.42Å	1.47Å
SAQ	OAS	doub	1.42Å	1.47Å
SAQ	NAT	sing	1.66Å	1.70Å
CAA	CAF	doub	1.38Å	1.53Å	Aromatic
CAL	HAL	sing	1.08Å	1.08Å
CAP	HAP	sing	1.08Å	1.08Å
CAO	HAO	sing	1.08Å	1.08Å
CAN	HAN	sing	1.08Å	1.08Å
CAM	HAM	sing	1.08Å	1.08Å
CAH	HAH	sing	1.08Å	1.08Å
CAD	HAD	sing	1.08Å	1.08Å
CAC	HAC	sing	1.08Å	1.08Å
NAT	HAV	sing	0.97Å	1.00Å
NAT	HAT	sing	0.97Å	1.00Å
CAA	HAA	sing	1.08Å	1.08Å
CAF	HAF	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAK	CAL	CAG	120.0°	118.0°
CAL	CAK	CAP	120.0°	121.3°
CAL	CAK	CAJ	119.6°	119.1°
CAK	CAL	HAL	120.0°	121.0°
CAL	CAG	CAH	119.9°	119.5°
CAL	CAG	CAE	119.9°	120.3°
CAG	CAL	HAL	120.0°	121.0°
CAP	CAK	CAJ	120.4°	119.6°
CAK	CAP	CAO	120.4°	119.7°
CAK	CAP	HAP	119.8°	120.2°
CAK	CAJ	CAM	119.4°	119.0°
CAK	CAJ	NAI	120.5°	120.1°
CAP	CAO	CAN	119.2°	120.8°
CAO	CAP	HAP	119.8°	120.1°
CAP	CAO	HAO	120.4°	119.6°
CAO	CAN	CAM	120.4°	121.1°
CAN	CAO	HAO	120.4°	119.5°
CAO	CAN	HAN	119.8°	119.5°
CAN	CAM	CAJ	120.2°	119.8°
CAM	CAN	HAN	119.8°	119.4°
CAN	CAM	HAM	119.9°	120.1°
CAM	CAJ	NAI	120.1°	120.9°
CAJ	CAM	HAM	119.9°	120.1°
CAJ	NAI	CAH	120.6°	121.7°
NAI	CAH	CAG	119.2°	121.6°
NAI	CAH	HAH	120.4°	119.2°
CAH	CAG	CAE	119.9°	120.2°
CAG	CAH	HAH	120.4°	119.2°
CAG	CAE	CAD	108.8°	120.1°
CAG	CAE	CAF	130.1°	120.1°
CAD	CAE	CAF	121.1°	119.8°
CAE	CAD	CAC	120.9°	119.8°
CAE	CAD	HAD	119.6°	120.1°
CAE	CAF	CAA	118.3°	119.8°
CAE	CAF	HAF	120.8°	120.1°
CAD	CAC	CAB	119.2°	120.1°
CAC	CAD	HAD	119.6°	120.1°
CAD	CAC	HAC	120.4°	119.9°
CAC	CAB	SAQ	112.7°	119.9°
CAC	CAB	CAA	121.3°	120.2°
CAB	CAC	HAC	120.4°	119.9°
SAQ	CAB	CAA	126.0°	119.9°
CAB	SAQ	OAR	111.4°	106.4°
CAB	SAQ	OAS	108.2°	106.4°
CAB	SAQ	NAT	108.2°	107.2°
CAB	CAA	CAF	119.2°	120.1°
CAB	CAA	HAA	120.4°	119.9°
OAR	SAQ	OAS	104.6°	123.2°
OAR	SAQ	NAT	114.6°	106.4°
OAS	SAQ	NAT	109.8°	106.4°
SAQ	NAT	HAV	109.5°	120.0°
SAQ	NAT	HAT	109.5°	120.0°
CAF	CAA	HAA	120.4°	119.9°
CAA	CAF	HAF	120.8°	120.1°
HAV	NAT	HAT	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAK	CAL	CAG	HAL	180.0°	179.7°
CAL	CAK	CAP	CAJ	179.8°	180.0°
CAL	CAK	CAP	CAO	180.0°	180.0°
CAL	CAK	CAJ	CAM	179.9°	180.0°
CAL	CAK	CAJ	NAI	0.0°	0.0°
CAK	CAL	CAG	CAH	3.7°	0.1°
CAK	CAL	CAG	CAE	176.9°	180.0°
CAL	CAK	CAP	HAP	0.0°	0.0°
CAG	CAL	CAK	CAP	178.3°	180.0°
CAG	CAL	CAK	CAJ	1.9°	0.0°
CAL	CAG	CAH	NAI	3.8°	0.1°
CAL	CAG	CAH	CAE	173.2°	179.9°
CAL	CAG	CAE	CAD	106.2°	180.0°
CAL	CAG	CAE	CAF	71.7°	0.3°
CAL	CAG	CAH	HAH	176.2°	179.9°
CAK	CAP	CAO	HAP	180.0°	179.9°
CAK	CAP	CAO	CAN	0.0°	0.0°
CAP	CAK	CAJ	CAM	0.1°	0.0°
CAP	CAK	CAJ	NAI	179.8°	179.9°
CAP	CAK	CAL	HAL	1.7°	0.3°
CAK	CAP	CAO	HAO	180.0°	180.0°
CAJ	CAK	CAP	CAO	0.2°	0.0°
CAK	CAJ	CAM	CAN	0.2°	0.0°
CAK	CAJ	CAM	NAI	179.9°	179.9°
CAK	CAJ	NAI	CAH	0.1°	0.0°
CAJ	CAK	CAL	HAL	178.1°	179.7°
CAJ	CAK	CAP	HAP	179.8°	179.9°
CAK	CAJ	CAM	HAM	179.8°	180.0°
CAP	CAO	CAN	HAO	180.0°	179.9°
CAP	CAO	CAN	CAM	0.2°	0.0°
CAP	CAO	CAN	HAN	179.8°	180.0°
CAO	CAN	CAM	HAN	180.0°	180.0°
CAO	CAN	CAM	CAJ	0.3°	0.0°
CAN	CAO	CAP	HAP	180.0°	179.9°
CAO	CAN	CAM	HAM	179.7°	180.0°
CAN	CAM	CAJ	HAM	180.0°	180.0°
CAN	CAM	CAJ	NAI	179.9°	179.9°
CAM	CAN	CAO	HAO	179.8°	180.0°
CAM	CAJ	NAI	CAH	179.8°	179.9°
CAJ	CAM	CAN	HAN	179.7°	180.0°
CAJ	NAI	CAH	CAG	2.0°	0.0°
NAI	CAJ	CAM	HAM	0.1°	0.1°
CAJ	NAI	CAH	HAH	178.1°	180.0°
NAI	CAH	CAG	HAH	180.0°	180.0°
NAI	CAH	CAG	CAE	177.0°	180.0°
CAH	CAG	CAE	CAD	67.0°	0.1°
CAH	CAG	CAE	CAF	115.1°	179.8°
CAH	CAG	CAL	HAL	176.2°	179.8°
CAG	CAE	CAD	CAF	178.1°	179.7°
CAG	CAE	CAD	CAC	178.8°	180.0°
CAG	CAE	CAF	CAA	178.7°	179.8°
CAE	CAG	CAL	HAL	3.0°	0.3°
CAE	CAG	CAH	HAH	3.0°	0.0°
CAG	CAE	CAD	HAD	1.2°	0.1°
CAG	CAE	CAF	HAF	1.3°	0.0°
CAE	CAD	CAC	HAD	180.0°	179.9°
CAE	CAD	CAC	CAB	0.2°	0.0°
CAD	CAE	CAF	CAA	1.0°	0.5°
CAE	CAD	CAC	HAC	179.9°	180.0°
CAD	CAE	CAF	HAF	179.0°	179.8°
CAF	CAE	CAD	CAC	0.7°	0.3°
CAE	CAF	CAA	CAB	0.6°	0.5°
CAE	CAF	CAA	HAF	180.0°	179.7°
CAF	CAE	CAD	HAD	179.3°	179.8°
CAE	CAF	CAA	HAA	179.5°	179.8°
CAD	CAC	CAB	HAC	180.0°	180.0°
CAD	CAC	CAB	SAQ	179.9°	180.0°
CAD	CAC	CAB	CAA	0.6°	0.0°
CAC	CAB	SAQ	CAA	179.2°	180.0°
CAC	CAB	SAQ	OAR	174.2°	156.5°
CAC	CAB	SAQ	OAS	71.4°	23.5°
CAC	CAB	SAQ	NAT	47.5°	90.0°
CAC	CAB	CAA	CAF	0.3°	0.3°
CAB	CAC	CAD	HAD	179.9°	180.0°
CAC	CAB	CAA	HAA	179.7°	180.0°
CAB	SAQ	OAR	OAS	116.6°	123.0°
CAB	SAQ	OAR	NAT	123.1°	114.1°
CAB	SAQ	OAS	NAT	117.8°	114.1°
SAQ	CAB	CAA	CAF	179.5°	179.7°
SAQ	CAB	CAC	HAC	0.1°	0.0°
CAB	SAQ	NAT	HAV	180.0°	0.0°
CAB	SAQ	NAT	HAT	60.0°	179.9°
SAQ	CAB	CAA	HAA	0.5°	0.1°
CAA	CAB	SAQ	OAR	6.6°	23.5°
CAA	CAB	SAQ	OAS	107.8°	156.5°
CAA	CAB	SAQ	NAT	133.3°	90.0°
CAB	CAA	CAF	HAA	180.0°	179.7°
CAA	CAB	CAC	HAC	179.4°	180.0°
CAB	CAA	CAF	HAF	179.5°	179.8°
OAR	SAQ	OAS	NAT	123.4°	122.9°
OAR	SAQ	NAT	HAV	55.1°	113.5°
OAR	SAQ	NAT	HAT	64.9°	66.4°
OAS	SAQ	NAT	HAV	62.2°	113.6°
OAS	SAQ	NAT	HAT	177.8°	66.5°
SAQ	NAT	HAV	HAT	120.0°	179.9°
HAP	CAP	CAO	HAO	0.0°	0.0°
HAO	CAO	CAN	HAN	0.2°	0.0°
HAN	CAN	CAM	HAM	0.3°	0.0°
HAD	CAD	CAC	HAC	0.1°	0.1°
HAA	CAA	CAF	HAF	0.5°	0.1°

Release date:	2016-12-21
Definition date:	2016-08-15
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	5SZ3