RDE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAC	OAP	sing	1.43Å	1.44Å
CAC	HAC1	sing	1.09Å	1.10Å
CAC	HAC2	sing	1.09Å	1.10Å
CAC	HAC3	sing	1.09Å	1.10Å
OAP	CBA	sing	1.36Å	1.37Å
CBA	CAW	sing	1.39Å	1.41Å	Aromatic
CBA	CAY	doub	1.39Å	1.42Å	Aromatic
CAW	OAN	sing	1.36Å	1.37Å
CAW	CAJ	doub	1.39Å	1.41Å	Aromatic
OAN	CAA	sing	1.43Å	1.44Å
CAA	HAA1	sing	1.09Å	1.10Å
CAA	HAA2	sing	1.09Å	1.10Å
CAA	HAA3	sing	1.09Å	1.10Å
CAJ	CAS	sing	1.39Å	1.40Å	Aromatic
CAJ	HAJ1	sing	1.08Å	1.08Å
CAS	NAD	sing	1.40Å	1.33Å
CAS	CAZ	doub	1.39Å	1.41Å	Aromatic
NAD	HAD	sing	0.97Å	1.00Å
NAD	HAC	sing	0.97Å	1.00Å
CAZ	OAO	sing	1.36Å	1.37Å
CAZ	CAY	sing	1.38Å	1.42Å	Aromatic
OAO	CAB	sing	1.43Å	1.44Å
CAB	HAB1	sing	1.09Å	1.10Å
CAB	HAB2	sing	1.09Å	1.10Å
CAB	HAB3	sing	1.09Å	1.10Å
CAY	CAM	sing	1.51Å	1.54Å
CAM	CAL	sing	1.53Å	1.53Å
CAM	HAM1	sing	1.09Å	1.10Å
CAM	HAM2	sing	1.09Å	1.10Å
CAL	OAQ	sing	1.45Å	1.45Å
CAL	HAL1	sing	1.09Å	1.10Å
CAL	HAL2	sing	1.09Å	1.10Å
OAQ	CAR	sing	1.35Å	1.37Å
CAR	OAE	doub	1.22Å	1.23Å
CAR	CAX	sing	1.47Å	1.54Å
CAX	CAK	sing	1.40Å	1.41Å	Aromatic
CAX	CAU	doub	1.40Å	1.42Å	Aromatic
CAK	CAV	doub	1.38Å	1.40Å	Aromatic
CAK	HAK1	sing	1.08Å	1.08Å
CAV	CLAH	sing	1.74Å	1.74Å
CAV	CAT	sing	1.39Å	1.41Å	Aromatic
CAT	OAF	sing	1.36Å	1.36Å
CAT	CAI	doub	1.39Å	1.41Å	Aromatic
OAF	HAA	sing	0.97Å	0.95Å
CAI	CAU	sing	1.38Å	1.40Å	Aromatic
CAI	HAI1	sing	1.08Å	1.08Å
CAU	OAG	sing	1.36Å	1.37Å
OAG	HAB	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OAP	CAC	HAC1	109.5°	109.5°
OAP	CAC	HAC2	109.5°	109.4°
OAP	CAC	HAC3	109.5°	109.5°
CAC	OAP	CBA	115.0°	106.8°
HAC1	CAC	HAC2	109.5°	109.5°
HAC1	CAC	HAC3	109.5°	109.5°
HAC2	CAC	HAC3	109.4°	109.5°
OAP	CBA	CAW	117.9°	119.9°
OAP	CBA	CAY	120.2°	120.0°
CAW	CBA	CAY	122.0°	120.1°
CBA	CAW	OAN	117.8°	120.0°
CBA	CAW	CAJ	119.3°	120.0°
CBA	CAY	CAZ	117.5°	120.0°
CBA	CAY	CAM	121.3°	120.0°
OAN	CAW	CAJ	122.9°	120.0°
CAW	OAN	CAA	120.6°	106.8°
CAW	CAJ	CAS	120.0°	120.0°
CAW	CAJ	HAJ1	120.0°	120.0°
OAN	CAA	HAA1	109.5°	109.5°
OAN	CAA	HAA2	109.5°	109.5°
OAN	CAA	HAA3	109.5°	109.5°
HAA1	CAA	HAA2	109.5°	109.5°
HAA1	CAA	HAA3	109.4°	109.5°
HAA2	CAA	HAA3	109.4°	109.5°
CAS	CAJ	HAJ1	120.0°	120.0°
CAJ	CAS	NAD	118.1°	120.0°
CAJ	CAS	CAZ	120.4°	120.0°
NAD	CAS	CAZ	121.5°	120.0°
CAS	NAD	HAD	109.4°	120.0°
CAS	NAD	HAC	109.5°	120.0°
CAS	CAZ	OAO	118.8°	120.0°
CAS	CAZ	CAY	120.8°	120.0°
HAD	NAD	HAC	109.5°	120.0°
OAO	CAZ	CAY	120.3°	120.0°
CAZ	OAO	CAB	115.1°	106.8°
CAZ	CAY	CAM	121.2°	120.1°
OAO	CAB	HAB1	109.4°	109.5°
OAO	CAB	HAB2	109.5°	109.5°
OAO	CAB	HAB3	109.5°	109.5°
HAB1	CAB	HAB2	109.5°	109.5°
HAB1	CAB	HAB3	109.4°	109.5°
HAB2	CAB	HAB3	109.5°	109.4°
CAY	CAM	CAL	112.3°	109.5°
CAY	CAM	HAM1	107.9°	109.4°
CAY	CAM	HAM2	108.5°	109.5°
CAL	CAM	HAM1	107.9°	109.5°
CAL	CAM	HAM2	108.6°	109.5°
CAM	CAL	OAQ	113.6°	109.5°
CAM	CAL	HAL1	107.2°	109.5°
CAM	CAL	HAL2	108.1°	109.4°
HAM1	CAM	HAM2	111.7°	109.5°
OAQ	CAL	HAL1	107.2°	109.5°
OAQ	CAL	HAL2	108.1°	109.5°
CAL	OAQ	CAR	118.8°	120.0°
HAL1	CAL	HAL2	112.7°	109.5°
OAQ	CAR	OAE	122.2°	120.0°
OAQ	CAR	CAX	117.5°	120.0°
OAE	CAR	CAX	120.3°	120.0°
CAR	CAX	CAK	118.1°	120.2°
CAR	CAX	CAU	122.4°	120.1°
CAK	CAX	CAU	119.5°	119.7°
CAX	CAK	CAV	119.4°	120.0°
CAX	CAK	HAK1	120.3°	120.0°
CAX	CAU	CAI	121.3°	119.7°
CAX	CAU	OAG	121.7°	120.1°
CAV	CAK	HAK1	120.3°	120.0°
CAK	CAV	CLAH	116.8°	119.9°
CAK	CAV	CAT	120.6°	120.2°
CLAH	CAV	CAT	122.6°	119.9°
CAV	CAT	OAF	122.4°	119.9°
CAV	CAT	CAI	120.4°	120.2°
OAF	CAT	CAI	117.2°	119.9°
CAT	OAF	HAA	109.5°	106.8°
CAT	CAI	CAU	118.8°	120.1°
CAT	CAI	HAI1	120.6°	120.0°
CAU	CAI	HAI1	120.6°	119.9°
CAI	CAU	OAG	117.0°	120.2°
CAU	OAG	HAB	109.5°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OAP	CAC	HAC1	HAC2	120.0°	120.0°
OAP	CAC	HAC1	HAC3	120.0°	120.0°
OAP	CAC	HAC2	HAC3	120.0°	120.0°
CAC	OAP	CBA	CAW	87.3°	85.5°
CAC	OAP	CBA	CAY	93.0°	95.0°
HAC1	CAC	HAC2	HAC3	120.0°	120.0°
HAC1	CAC	OAP	CBA	117.7°	175.2°
HAC2	CAC	OAP	CBA	122.3°	55.2°
HAC3	CAC	OAP	CBA	2.3°	64.8°
OAP	CBA	CAW	CAY	179.6°	179.5°
OAP	CBA	CAW	OAN	1.6°	0.2°
OAP	CBA	CAW	CAJ	179.8°	180.0°
OAP	CBA	CAY	CAZ	180.0°	180.0°
OAP	CBA	CAY	CAM	1.2°	0.3°
CBA	CAW	OAN	CAJ	178.5°	179.8°
CBA	CAW	OAN	CAA	140.4°	179.7°
CBA	CAW	CAJ	CAS	0.0°	0.2°
CBA	CAW	CAJ	HAJ1	180.0°	179.8°
CAW	CBA	CAY	CAZ	0.4°	0.5°
CAW	CBA	CAY	CAM	178.4°	179.8°
CAY	CBA	CAW	OAN	178.7°	179.7°
CAY	CBA	CAW	CAJ	0.2°	0.5°
CBA	CAY	CAZ	CAS	0.3°	0.3°
CBA	CAY	CAZ	OAO	179.5°	179.7°
CBA	CAY	CAZ	CAM	178.8°	179.7°
CBA	CAY	CAM	CAL	75.9°	93.5°
CBA	CAY	CAM	HAM1	42.8°	146.5°
CBA	CAY	CAM	HAM2	164.0°	26.5°
CAW	OAN	CAA	HAA1	71.5°	60.1°
CAW	OAN	CAA	HAA2	168.5°	180.0°
CAW	OAN	CAA	HAA3	48.5°	60.0°
OAN	CAW	CAJ	CAS	178.5°	180.0°
OAN	CAW	CAJ	HAJ1	1.6°	0.0°
CAJ	CAW	OAN	CAA	41.1°	0.1°
CAW	CAJ	CAS	HAJ1	180.0°	179.9°
CAW	CAJ	CAS	NAD	179.9°	180.0°
CAW	CAJ	CAS	CAZ	0.1°	0.1°
OAN	CAA	HAA1	HAA2	120.0°	120.0°
OAN	CAA	HAA1	HAA3	120.0°	120.0°
OAN	CAA	HAA2	HAA3	120.0°	120.0°
HAA1	CAA	HAA2	HAA3	120.0°	120.0°
CAJ	CAS	NAD	CAZ	179.9°	179.9°
CAJ	CAS	NAD	HAD	35.4°	180.0°
CAJ	CAS	NAD	HAC	84.7°	0.1°
CAJ	CAS	CAZ	OAO	179.3°	180.0°
CAJ	CAS	CAZ	CAY	0.1°	0.0°
HAJ1	CAJ	CAS	NAD	0.1°	0.1°
HAJ1	CAJ	CAS	CAZ	179.9°	180.0°
CAS	NAD	HAD	HAC	120.0°	179.9°
NAD	CAS	CAZ	OAO	0.6°	0.0°
NAD	CAS	CAZ	CAY	179.7°	180.0°
CAZ	CAS	NAD	HAD	144.8°	0.1°
CAZ	CAS	NAD	HAC	95.2°	180.0°
CAS	CAZ	OAO	CAY	179.2°	180.0°
CAS	CAZ	OAO	CAB	86.7°	86.9°
CAS	CAZ	CAY	CAM	178.5°	180.0°
CAZ	OAO	CAB	HAB1	122.7°	56.1°
CAZ	OAO	CAB	HAB2	2.7°	63.9°
CAZ	OAO	CAB	HAB3	117.3°	176.2°
OAO	CAZ	CAY	CAM	0.7°	0.0°
CAY	CAZ	OAO	CAB	94.1°	93.1°
CAZ	CAY	CAM	CAL	102.8°	86.8°
CAZ	CAY	CAM	HAM1	138.4°	33.1°
CAZ	CAY	CAM	HAM2	17.2°	153.2°
OAO	CAB	HAB1	HAB2	120.0°	120.0°
OAO	CAB	HAB1	HAB3	120.0°	120.1°
OAO	CAB	HAB2	HAB3	120.0°	120.0°
HAB1	CAB	HAB2	HAB3	120.0°	120.0°
CAY	CAM	CAL	HAM1	118.8°	119.9°
CAY	CAM	CAL	HAM2	120.0°	120.0°
CAY	CAM	HAM1	HAM2	119.2°	120.0°
CAY	CAM	CAL	OAQ	176.6°	175.4°
CAY	CAM	CAL	HAL1	65.2°	64.5°
CAY	CAM	CAL	HAL2	56.6°	55.4°
CAL	CAM	HAM1	HAM2	119.2°	120.0°
CAM	CAL	OAQ	HAL1	118.2°	120.0°
CAM	CAL	OAQ	HAL2	120.0°	120.0°
CAM	CAL	HAL1	HAL2	118.9°	119.9°
CAM	CAL	OAQ	CAR	77.8°	180.0°
HAM1	CAM	CAL	OAQ	57.8°	55.5°
HAM1	CAM	CAL	HAL1	176.0°	175.5°
HAM1	CAM	CAL	HAL2	62.2°	64.5°
HAM2	CAM	CAL	OAQ	63.4°	64.6°
HAM2	CAM	CAL	HAL1	54.8°	55.5°
HAM2	CAM	CAL	HAL2	176.6°	175.4°
OAQ	CAL	HAL1	HAL2	118.9°	120.0°
CAL	OAQ	CAR	OAE	2.8°	0.0°
CAL	OAQ	CAR	CAX	178.0°	180.0°
HAL1	CAL	OAQ	CAR	163.9°	59.9°
HAL2	CAL	OAQ	CAR	42.2°	60.1°
OAQ	CAR	OAE	CAX	179.2°	180.0°
OAQ	CAR	CAX	CAK	26.9°	0.0°
OAQ	CAR	CAX	CAU	153.9°	179.8°
OAE	CAR	CAX	CAK	152.4°	180.0°
OAE	CAR	CAX	CAU	26.9°	0.3°
CAR	CAX	CAK	CAU	179.3°	179.7°
CAR	CAX	CAK	CAV	179.7°	180.0°
CAR	CAX	CAK	HAK1	0.3°	0.0°
CAR	CAX	CAU	CAI	179.2°	179.8°
CAR	CAX	CAU	OAG	1.0°	0.3°
CAX	CAK	CAV	HAK1	180.0°	180.0°
CAX	CAK	CAV	CLAH	179.6°	180.0°
CAX	CAK	CAV	CAT	0.5°	0.0°
CAK	CAX	CAU	CAI	0.1°	0.5°
CAK	CAX	CAU	OAG	179.8°	180.0°
CAU	CAX	CAK	CAV	0.4°	0.2°
CAU	CAX	CAK	HAK1	179.6°	179.8°
CAX	CAU	CAI	CAT	0.5°	0.5°
CAX	CAU	CAI	OAG	179.9°	179.5°
CAX	CAU	CAI	HAI1	179.5°	179.7°
CAX	CAU	OAG	HAB	88.3°	90.5°
CAK	CAV	CLAH	CAT	179.9°	180.0°
CAK	CAV	CAT	OAF	179.9°	180.0°
CAK	CAV	CAT	CAI	0.0°	0.0°
HAK1	CAK	CAV	CLAH	0.4°	0.0°
HAK1	CAK	CAV	CAT	179.5°	180.0°
CLAH	CAV	CAT	OAF	0.1°	0.1°
CLAH	CAV	CAT	CAI	179.9°	180.0°
CAV	CAT	OAF	CAI	179.9°	179.9°
CAV	CAT	OAF	HAA	91.9°	89.9°
CAV	CAT	CAI	CAU	0.5°	0.2°
CAV	CAT	CAI	HAI1	179.5°	180.0°
OAF	CAT	CAI	CAU	179.6°	179.7°
OAF	CAT	CAI	HAI1	0.4°	0.1°
CAI	CAT	OAF	HAA	87.9°	90.0°
CAT	CAI	CAU	HAI1	180.0°	179.8°
CAT	CAI	CAU	OAG	179.3°	180.0°
CAI	CAU	OAG	HAB	91.6°	90.0°
HAI1	CAI	CAU	OAG	0.7°	0.2°

Definition date:	2005-06-29
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB