6J6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OAT	CAR	sing	1.36Å	1.32Å
OAO	CAM	doub	1.21Å	1.21Å
CAS	CAR	doub	1.38Å	1.40Å	Aromatic
CAS	CAL	sing	1.40Å	1.38Å	Aromatic
CAR	CAQ	sing	1.39Å	1.37Å	Aromatic
CAM	CAL	sing	1.47Å	1.42Å
CAM	CAN	sing	1.52Å	1.43Å
CAL	CAK	doub	1.40Å	1.39Å	Aromatic
CAQ	CAP	doub	1.38Å	1.37Å	Aromatic
CAN	CAI	sing	1.54Å	1.55Å
CAK	CAP	sing	1.39Å	1.38Å	Aromatic
CAK	OAJ	sing	1.35Å	1.32Å
OAJ	CAI	sing	1.43Å	1.43Å
CAI	CAC	sing	1.51Å	1.39Å
CAB	CAC	doub	1.38Å	1.38Å	Aromatic
CAB	CAA	sing	1.38Å	1.39Å	Aromatic
CAC	CAD	sing	1.38Å	1.35Å	Aromatic
CAA	CAF	doub	1.39Å	1.39Å	Aromatic
CAD	CAE	doub	1.39Å	1.38Å	Aromatic
CAF	CAE	sing	1.39Å	1.40Å	Aromatic
CAF	OAG	sing	1.36Å	1.34Å
CAE	OAH	sing	1.36Å	1.34Å
CAN	H1	sing	1.09Å	1.10Å
CAN	H2	sing	1.09Å	1.10Å
CAS	H3	sing	1.08Å	1.08Å
OAT	H4	sing	0.97Å	0.95Å
CAQ	H5	sing	1.08Å	1.08Å
CAP	H6	sing	1.08Å	1.08Å
CAI	H7	sing	1.09Å	1.10Å
CAD	H8	sing	1.08Å	1.08Å
OAH	H9	sing	0.97Å	0.95Å
OAG	H10	sing	0.97Å	0.95Å
CAA	H11	sing	1.08Å	1.08Å
CAB	H12	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OAT	CAR	CAS	122.7°	119.9°
OAT	CAR	CAQ	116.4°	120.0°
CAR	OAT	H4	109.5°	114.0°
OAO	CAM	CAL	120.0°	121.7°
OAO	CAM	CAN	118.4°	121.7°
CAR	CAS	CAL	120.8°	119.6°
CAS	CAR	CAQ	120.9°	120.1°
CAR	CAS	H3	119.6°	120.3°
CAS	CAL	CAM	124.2°	120.7°
CAS	CAL	CAK	117.0°	120.3°
CAL	CAS	H3	119.6°	120.2°
CAR	CAQ	CAP	118.6°	120.7°
CAR	CAQ	H5	120.7°	119.7°
CAL	CAM	CAN	121.5°	116.5°
CAM	CAL	CAK	118.6°	119.0°
CAM	CAN	CAI	110.8°	107.2°
CAM	CAN	H1	109.1°	110.0°
CAM	CAN	H2	109.2°	110.0°
CAL	CAK	CAP	121.7°	119.3°
CAL	CAK	OAJ	118.1°	120.8°
CAQ	CAP	CAK	120.9°	120.2°
CAP	CAQ	H5	120.7°	119.7°
CAQ	CAP	H6	119.6°	119.9°
CAN	CAI	OAJ	106.4°	109.4°
CAN	CAI	CAC	117.4°	109.5°
CAI	CAN	H1	109.1°	109.9°
CAI	CAN	H2	109.1°	109.9°
CAN	CAI	H7	105.7°	109.5°
CAP	CAK	OAJ	120.2°	119.9°
CAK	CAP	H6	119.5°	119.9°
CAK	OAJ	CAI	123.1°	118.7°
OAJ	CAI	CAC	112.1°	109.5°
OAJ	CAI	H7	107.1°	109.5°
CAI	CAC	CAB	123.8°	120.0°
CAI	CAC	CAD	119.3°	119.9°
CAC	CAI	H7	107.6°	109.5°
CAC	CAB	CAA	122.9°	120.2°
CAB	CAC	CAD	116.8°	120.1°
CAC	CAB	H12	118.5°	119.9°
CAB	CAA	CAF	119.2°	120.0°
CAB	CAA	H11	120.4°	120.0°
CAA	CAB	H12	118.5°	119.9°
CAC	CAD	CAE	122.4°	120.0°
CAC	CAD	H8	118.8°	120.0°
CAA	CAF	CAE	117.9°	119.9°
CAA	CAF	OAG	122.5°	120.1°
CAF	CAA	H11	120.4°	120.0°
CAD	CAE	CAF	120.7°	119.9°
CAD	CAE	OAH	120.1°	120.0°
CAE	CAD	H8	118.8°	120.1°
CAE	CAF	OAG	119.6°	120.0°
CAF	CAE	OAH	119.2°	120.1°
CAF	OAG	H10	109.5°	114.0°
CAE	OAH	H9	109.5°	114.0°
H1	CAN	H2	109.5°	109.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OAT	CAR	CAS	CAQ	179.5°	179.9°
OAT	CAR	CAS	CAL	179.0°	180.0°
OAT	CAR	CAQ	CAP	179.7°	179.8°
OAT	CAR	CAS	H3	1.1°	0.1°
OAT	CAR	CAQ	H5	0.3°	0.2°
OAO	CAM	CAL	CAS	3.6°	12.0°
OAO	CAM	CAL	CAN	179.5°	180.0°
OAO	CAM	CAL	CAK	171.9°	167.9°
OAO	CAM	CAN	CAI	148.5°	140.0°
OAO	CAM	CAN	H1	91.3°	100.6°
OAO	CAM	CAN	H2	28.3°	20.5°
CAR	CAS	CAL	H3	180.0°	179.9°
CAR	CAS	CAL	CAM	178.4°	179.7°
CAR	CAS	CAL	CAK	2.8°	0.3°
CAS	CAR	CAQ	CAP	0.8°	0.1°
CAS	CAR	OAT	H4	180.0°	90.0°
CAS	CAR	CAQ	H5	179.2°	179.9°
CAL	CAS	CAR	CAQ	0.5°	0.0°
CAS	CAL	CAM	CAK	175.5°	180.0°
CAS	CAL	CAM	CAN	176.9°	167.9°
CAS	CAL	CAK	CAP	4.0°	0.5°
CAS	CAL	CAK	OAJ	179.2°	179.3°
CAR	CAQ	CAP	H5	180.0°	180.0°
CAR	CAQ	CAP	CAK	0.3°	0.0°
CAQ	CAR	CAS	H3	179.5°	179.9°
CAQ	CAR	OAT	H4	0.5°	89.9°
CAR	CAQ	CAP	H6	179.7°	179.9°
CAL	CAM	CAN	CAI	31.0°	40.0°
CAM	CAL	CAK	CAP	179.8°	179.5°
CAM	CAL	CAK	OAJ	3.3°	0.7°
CAL	CAM	CAN	H1	89.2°	79.4°
CAL	CAM	CAN	H2	151.2°	159.5°
CAM	CAL	CAS	H3	1.6°	0.2°
CAN	CAM	CAL	CAK	7.6°	12.1°
CAM	CAN	CAI	H1	120.2°	119.4°
CAM	CAN	CAI	H2	120.2°	119.5°
CAM	CAN	CAI	OAJ	47.8°	58.7°
CAM	CAN	CAI	CAC	174.2°	178.7°
CAM	CAN	H1	H2	119.4°	121.2°
CAM	CAN	CAI	H7	65.8°	61.3°
CAL	CAK	CAP	CAQ	2.8°	0.3°
CAL	CAK	CAP	OAJ	176.8°	179.7°
CAL	CAK	OAJ	CAI	28.4°	22.6°
CAK	CAL	CAS	H3	177.1°	179.8°
CAL	CAK	CAP	H6	177.2°	179.6°
CAQ	CAP	CAK	H6	180.0°	179.9°
CAQ	CAP	CAK	OAJ	179.6°	179.4°
CAN	CAI	OAJ	CAK	50.3°	52.7°
CAN	CAI	OAJ	CAC	129.6°	120.0°
CAN	CAI	OAJ	H7	112.7°	120.0°
CAN	CAI	CAC	H7	118.9°	120.0°
CAN	CAI	CAC	CAB	71.3°	80.3°
CAN	CAI	CAC	CAD	111.7°	100.0°
CAI	CAN	H1	H2	119.4°	121.1°
CAP	CAK	OAJ	CAI	154.7°	157.7°
CAK	CAP	CAQ	H5	179.7°	180.0°
CAK	OAJ	CAI	CAC	179.9°	172.6°
OAJ	CAK	CAP	H6	0.4°	0.6°
CAK	OAJ	CAI	H7	62.4°	67.3°
OAJ	CAI	CAC	H7	117.5°	120.1°
OAJ	CAI	CAC	CAB	52.4°	39.6°
OAJ	CAI	CAC	CAD	124.7°	140.1°
OAJ	CAI	CAN	H1	72.4°	60.7°
OAJ	CAI	CAN	H2	168.0°	178.2°
CAI	CAC	CAB	CAD	177.1°	179.7°
CAI	CAC	CAB	CAA	177.8°	179.8°
CAI	CAC	CAD	CAE	178.9°	180.0°
CAC	CAI	CAN	H1	54.0°	59.2°
CAC	CAI	CAN	H2	65.6°	61.9°
CAI	CAC	CAD	H8	1.1°	0.1°
CAI	CAC	CAB	H12	2.2°	0.0°
CAC	CAB	CAA	H12	180.0°	179.8°
CAC	CAB	CAA	CAF	0.4°	0.5°
CAB	CAC	CAD	CAE	1.6°	0.2°
CAB	CAC	CAI	H7	169.8°	159.7°
CAB	CAC	CAD	H8	178.3°	179.8°
CAC	CAB	CAA	H11	179.6°	179.7°
CAA	CAB	CAC	CAD	0.7°	0.5°
CAB	CAA	CAF	H11	180.0°	179.8°
CAB	CAA	CAF	CAE	0.6°	0.2°
CAB	CAA	CAF	OAG	180.0°	179.7°
CAC	CAD	CAE	H8	180.0°	180.0°
CAC	CAD	CAE	CAF	1.5°	0.0°
CAC	CAD	CAE	OAH	178.7°	180.0°
CAD	CAC	CAI	H7	7.2°	20.0°
CAD	CAC	CAB	H12	179.3°	179.7°
CAA	CAF	CAE	CAD	0.4°	0.0°
CAA	CAF	CAE	OAG	179.5°	179.9°
CAA	CAF	CAE	OAH	179.8°	180.0°
CAA	CAF	OAG	H10	180.0°	89.9°
CAF	CAA	CAB	H12	179.6°	179.7°
CAD	CAE	CAF	OAH	179.8°	180.0°
CAD	CAE	CAF	OAG	179.1°	180.0°
CAD	CAE	OAH	H9	180.0°	90.0°
CAF	CAE	CAD	H8	178.4°	180.0°
CAF	CAE	OAH	H9	0.2°	90.0°
CAE	CAF	OAG	H10	0.5°	90.0°
CAE	CAF	CAA	H11	179.4°	180.0°
OAG	CAF	CAE	OAH	0.7°	0.0°
OAG	CAF	CAA	H11	0.0°	0.1°
OAH	CAE	CAD	H8	1.4°	0.0°
H1	CAN	CAI	H7	174.0°	179.3°
H2	CAN	CAI	H7	54.4°	58.2°
H5	CAQ	CAP	H6	0.3°	0.1°
H11	CAA	CAB	H12	0.4°	0.1°

Release date:	2017-05-03
Definition date:	2016-05-25
Last modified:	2017-04-28
Release status:	REL
Processing site:	EBI
Derived from:	5L42