90Q

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OAT	CAS	sing	1.36Å	1.36Å
CAS	CAQ	doub	1.39Å	1.39Å	Aromatic
CAS	CAR	sing	1.39Å	1.39Å	Aromatic
CLA	CAR	sing	1.74Å	1.71Å
CAQ	CAO	sing	1.38Å	1.39Å	Aromatic
CAR	CAP	doub	1.38Å	1.39Å	Aromatic
CAO	CAN	doub	1.38Å	1.39Å	Aromatic
CAP	CAN	sing	1.38Å	1.39Å	Aromatic
CAN	CAH	sing	1.51Å	1.40Å
CAH	OAG	sing	1.43Å	1.44Å
CAH	CAJ	sing	1.54Å	1.49Å
OAG	CAA	sing	1.35Å	1.37Å
CAJ	CAI	sing	1.52Å	1.39Å
CAA	CAC	doub	1.38Å	1.39Å	Aromatic
CAA	CAB	sing	1.41Å	1.39Å	Aromatic
CAI	CAB	sing	1.47Å	1.39Å
CAI	OAM	doub	1.21Å	1.23Å
CAC	CAE	sing	1.39Å	1.39Å	Aromatic
CAB	CAD	doub	1.40Å	1.39Å	Aromatic
CAE	OAK	sing	1.36Å	1.36Å
CAE	CAF	doub	1.39Å	1.39Å	Aromatic
CAD	CAF	sing	1.38Å	1.39Å	Aromatic
CAD	OAL	sing	1.36Å	1.36Å
CAC	H1	sing	1.08Å	1.08Å
CAF	H2	sing	1.08Å	1.08Å
CAH	H3	sing	1.09Å	1.10Å
CAJ	H4	sing	1.09Å	1.10Å
CAJ	H5	sing	1.09Å	1.10Å
CAO	H6	sing	1.08Å	1.08Å
CAP	H7	sing	1.08Å	1.08Å
CAQ	H8	sing	1.08Å	1.08Å
OAK	H9	sing	0.97Å	0.95Å
OAL	H10	sing	0.97Å	0.95Å
OAT	H11	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OAT	CAS	CAQ	122.6°	120.1°
OAT	CAS	CAR	116.7°	120.0°
CAS	OAT	H11	109.5°	114.1°
CAQ	CAS	CAR	120.8°	119.9°
CAS	CAQ	CAO	119.4°	120.0°
CAS	CAQ	H8	120.3°	120.0°
CAS	CAR	CLA	121.5°	120.1°
CAS	CAR	CAP	119.4°	119.9°
CLA	CAR	CAP	119.1°	120.0°
CAQ	CAO	CAN	120.0°	120.1°
CAQ	CAO	H6	120.0°	120.0°
CAO	CAQ	H8	120.3°	120.0°
CAR	CAP	CAN	120.5°	120.0°
CAR	CAP	H7	119.8°	120.0°
CAO	CAN	CAP	120.0°	120.1°
CAO	CAN	CAH	121.5°	120.0°
CAN	CAO	H6	120.0°	119.9°
CAP	CAN	CAH	118.6°	119.9°
CAN	CAP	H7	119.8°	120.0°
CAN	CAH	OAG	108.7°	109.5°
CAN	CAH	CAJ	111.4°	109.5°
CAN	CAH	H3	109.6°	109.5°
OAG	CAH	CAJ	109.9°	109.3°
CAH	OAG	CAA	114.3°	118.6°
OAG	CAH	H3	109.0°	109.5°
CAH	CAJ	CAI	109.5°	107.2°
CAJ	CAH	H3	108.3°	109.5°
CAH	CAJ	H4	109.5°	109.9°
CAH	CAJ	H5	109.5°	109.9°
OAG	CAA	CAC	121.4°	120.0°
OAG	CAA	CAB	118.3°	120.8°
CAJ	CAI	CAB	119.7°	116.6°
CAJ	CAI	OAM	120.0°	121.7°
CAI	CAJ	H4	109.5°	109.9°
CAI	CAJ	H5	109.5°	109.9°
CAC	CAA	CAB	120.3°	119.2°
CAA	CAC	CAE	120.5°	120.3°
CAA	CAC	H1	119.7°	119.9°
CAA	CAB	CAI	121.0°	119.1°
CAA	CAB	CAD	118.7°	120.3°
CAB	CAI	OAM	120.2°	121.7°
CAI	CAB	CAD	120.4°	120.7°
CAC	CAE	OAK	119.7°	119.6°
CAC	CAE	CAF	119.7°	120.7°
CAE	CAC	H1	119.8°	119.9°
CAB	CAD	CAF	121.3°	119.5°
CAB	CAD	OAL	116.8°	120.3°
OAK	CAE	CAF	120.6°	119.7°
CAE	OAK	H9	109.5°	114.1°
CAE	CAF	CAD	119.5°	120.0°
CAE	CAF	H2	120.3°	119.9°
CAF	CAD	OAL	121.9°	120.2°
CAD	CAF	H2	120.3°	120.0°
CAD	OAL	H10	109.5°	114.0°
H4	CAJ	H5	109.4°	109.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OAT	CAS	CAQ	CAR	179.7°	179.7°
OAT	CAS	CAR	CLA	0.2°	0.0°
OAT	CAS	CAQ	CAO	179.9°	180.0°
OAT	CAS	CAR	CAP	179.9°	180.0°
OAT	CAS	CAQ	H8	0.1°	0.0°
CAQ	CAS	CAR	CLA	179.6°	179.7°
CAS	CAQ	CAO	H8	180.0°	180.0°
CAQ	CAS	CAR	CAP	0.1°	0.3°
CAS	CAQ	CAO	CAN	0.0°	0.0°
CAS	CAQ	CAO	H6	180.0°	179.9°
CAQ	CAS	OAT	H11	180.0°	90.0°
CAS	CAR	CLA	CAP	179.7°	180.0°
CAR	CAS	CAQ	CAO	0.2°	0.3°
CAS	CAR	CAP	CAN	0.1°	0.0°
CAS	CAR	CAP	H7	179.9°	179.9°
CAR	CAS	CAQ	H8	179.8°	179.7°
CAR	CAS	OAT	H11	0.2°	89.7°
CLA	CAR	CAP	CAN	179.8°	180.0°
CLA	CAR	CAP	H7	0.2°	0.1°
CAQ	CAO	CAN	H6	180.0°	179.9°
CAQ	CAO	CAN	CAP	0.1°	0.4°
CAQ	CAO	CAN	CAH	179.2°	180.0°
CAR	CAP	CAN	CAO	0.2°	0.3°
CAR	CAP	CAN	H7	180.0°	179.9°
CAR	CAP	CAN	CAH	179.3°	180.0°
CAO	CAN	CAP	CAH	179.1°	179.6°
CAO	CAN	CAH	OAG	150.7°	140.0°
CAO	CAN	CAH	CAJ	88.1°	100.2°
CAO	CAN	CAH	H3	31.7°	19.9°
CAO	CAN	CAP	H7	179.8°	179.7°
CAN	CAO	CAQ	H8	179.9°	179.9°
CAP	CAN	CAH	OAG	28.4°	39.7°
CAP	CAN	CAH	CAJ	92.8°	80.2°
CAP	CAN	CAH	H3	147.4°	159.8°
CAP	CAN	CAO	H6	179.9°	179.7°
CAN	CAH	OAG	CAJ	122.1°	119.9°
CAN	CAH	OAG	H3	119.4°	120.1°
CAN	CAH	CAJ	H3	120.6°	120.1°
CAN	CAH	OAG	CAA	176.6°	172.5°
CAN	CAH	CAJ	CAI	177.6°	178.6°
CAN	CAH	CAJ	H4	62.4°	61.9°
CAN	CAH	CAJ	H5	57.6°	59.2°
CAH	CAN	CAO	H6	0.8°	0.1°
CAH	CAN	CAP	H7	0.7°	0.1°
OAG	CAH	CAJ	H3	119.0°	120.0°
OAG	CAH	CAJ	CAI	57.2°	58.7°
CAH	OAG	CAA	CAC	154.7°	157.6°
CAH	OAG	CAA	CAB	25.2°	22.6°
OAG	CAH	CAJ	H4	177.2°	178.2°
OAG	CAH	CAJ	H5	62.8°	60.7°
CAJ	CAH	OAG	CAA	54.6°	52.6°
CAH	CAJ	CAI	H4	120.0°	119.4°
CAH	CAJ	CAI	H5	120.0°	119.4°
CAH	CAJ	CAI	CAB	32.8°	40.2°
CAH	CAJ	CAI	OAM	150.0°	139.8°
CAH	CAJ	H4	H5	120.0°	121.1°
OAG	CAA	CAC	CAB	179.9°	179.8°
OAG	CAA	CAB	CAI	1.3°	1.0°
OAG	CAA	CAC	CAE	179.0°	179.5°
OAG	CAA	CAB	CAD	179.9°	179.2°
OAG	CAA	CAC	H1	1.0°	0.5°
CAA	OAG	CAH	H3	64.0°	67.4°
CAJ	CAI	CAB	CAA	3.8°	12.3°
CAJ	CAI	CAB	OAM	177.3°	180.0°
CAJ	CAI	CAB	CAD	174.9°	167.9°
CAI	CAJ	CAH	H3	61.7°	61.3°
CAI	CAJ	H4	H5	120.0°	121.1°
CAC	CAA	CAB	CAI	178.8°	179.2°
CAA	CAC	CAE	H1	180.0°	180.0°
CAC	CAA	CAB	CAD	0.0°	0.6°
CAA	CAC	CAE	OAK	179.3°	180.0°
CAA	CAC	CAE	CAF	1.2°	0.0°
CAA	CAB	CAI	CAD	178.7°	179.8°
CAA	CAB	CAI	OAM	178.9°	167.7°
CAB	CAA	CAC	CAE	0.9°	0.3°
CAA	CAB	CAD	CAF	0.6°	0.5°
CAA	CAB	CAD	OAL	179.5°	179.6°
CAB	CAA	CAC	H1	179.1°	179.7°
CAI	CAB	CAD	CAF	179.4°	179.3°
CAI	CAB	CAD	OAL	0.8°	0.6°
CAB	CAI	CAJ	H4	152.8°	159.6°
CAB	CAI	CAJ	H5	87.2°	79.2°
OAM	CAI	CAB	CAD	2.3°	12.1°
OAM	CAI	CAJ	H4	29.9°	20.4°
OAM	CAI	CAJ	H5	90.0°	100.7°
CAC	CAE	OAK	CAF	179.6°	180.0°
CAC	CAE	CAF	CAD	0.6°	0.1°
CAC	CAE	CAF	H2	179.4°	179.9°
CAC	CAE	OAK	H9	180.0°	90.0°
CAB	CAD	CAF	CAE	0.3°	0.2°
CAB	CAD	CAF	OAL	179.9°	179.9°
CAB	CAD	CAF	H2	179.7°	179.9°
CAB	CAD	OAL	H10	0.3°	90.0°
OAK	CAE	CAF	CAD	179.9°	179.9°
OAK	CAE	CAC	H1	0.7°	0.1°
OAK	CAE	CAF	H2	0.1°	0.2°
CAE	CAF	CAD	H2	180.0°	179.9°
CAE	CAF	CAD	OAL	179.8°	179.9°
CAF	CAE	CAC	H1	178.8°	180.0°
CAF	CAE	OAK	H9	0.4°	90.0°
CAF	CAD	OAL	H10	179.6°	90.1°
OAL	CAD	CAF	H2	0.2°	0.0°
H3	CAH	CAJ	H4	58.3°	58.2°
H3	CAH	CAJ	H5	178.2°	179.3°
H6	CAO	CAQ	H8	0.1°	0.0°

Release date:	2022-12-14
Definition date:	2021-12-31
Last modified:	2022-12-09
Release status:	REL
Processing site:	PDBJ
Derived from:	7W9Q