OUQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
NAJ	CAH	sing	1.47Å	1.44Å
NAJ	CAO	sing	1.47Å	1.43Å
CAA	CAO	sing	1.53Å	1.54Å
CAB	CAO	sing	1.53Å	1.52Å
CAH	CAN	sing	1.53Å	1.53Å
CAO	CAI	sing	1.53Å	1.53Å
CAN	CAM	sing	1.51Å	1.53Å
CAN	OAK	sing	1.43Å	1.44Å
CAI	OAK	sing	1.43Å	1.43Å
CAM	CAG	doub	1.38Å	1.39Å	Aromatic
CAM	CAF	sing	1.38Å	1.41Å	Aromatic
CAG	CAL	sing	1.39Å	1.40Å	Aromatic
CAF	CAD	doub	1.38Å	1.40Å	Aromatic
CAL	FAC	sing	1.35Å	1.33Å
CAL	CAE	doub	1.38Å	1.41Å	Aromatic
CAD	CAE	sing	1.38Å	1.38Å	Aromatic
CAA	H1	sing	1.09Å	1.10Å
CAA	H2	sing	1.09Å	1.10Å
CAA	H3	sing	1.09Å	1.10Å
CAB	H4	sing	1.09Å	1.10Å
CAB	H5	sing	1.09Å	1.10Å
CAB	H6	sing	1.09Å	1.10Å
CAD	H7	sing	1.08Å	1.08Å
CAE	H8	sing	1.08Å	1.08Å
CAF	H9	sing	1.08Å	1.08Å
CAG	H10	sing	1.08Å	1.08Å
CAH	H11	sing	1.09Å	1.10Å
CAH	H12	sing	1.09Å	1.10Å
CAI	H13	sing	1.09Å	1.10Å
CAI	H14	sing	1.09Å	1.10Å
CAN	H15	sing	1.09Å	1.10Å
NAJ	H16	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAH	NAJ	CAO	114.0°	110.8°
NAJ	CAH	CAN	113.2°	109.3°
NAJ	CAH	H11	108.5°	109.5°
NAJ	CAH	H12	108.5°	109.6°
CAH	NAJ	H16	108.3°	111.0°
NAJ	CAO	CAA	107.3°	109.5°
NAJ	CAO	CAB	108.8°	109.6°
NAJ	CAO	CAI	113.9°	109.2°
CAO	NAJ	H16	108.4°	110.9°
CAA	CAO	CAB	109.6°	109.5°
CAA	CAO	CAI	108.7°	109.5°
CAO	CAA	H1	109.5°	109.5°
CAO	CAA	H2	109.4°	109.5°
CAO	CAA	H3	109.5°	109.4°
CAB	CAO	CAI	108.4°	109.5°
CAO	CAB	H4	109.5°	109.4°
CAO	CAB	H5	109.5°	109.5°
CAO	CAB	H6	109.4°	109.5°
CAH	CAN	CAM	108.3°	109.5°
CAH	CAN	OAK	113.7°	109.3°
CAN	CAH	H11	108.5°	109.5°
CAN	CAH	H12	108.5°	109.5°
CAH	CAN	H15	109.0°	109.5°
CAO	CAI	OAK	112.8°	109.2°
CAO	CAI	H13	108.6°	109.5°
CAO	CAI	H14	108.6°	109.5°
CAM	CAN	OAK	106.5°	109.5°
CAN	CAM	CAG	119.9°	120.0°
CAN	CAM	CAF	119.7°	120.0°
CAM	CAN	H15	109.0°	109.5°
CAN	OAK	CAI	113.8°	113.7°
OAK	CAN	H15	110.3°	109.5°
OAK	CAI	H13	108.6°	109.5°
OAK	CAI	H14	108.6°	109.5°
CAG	CAM	CAF	120.4°	120.1°
CAM	CAG	CAL	119.0°	119.9°
CAM	CAG	H10	120.5°	120.1°
CAM	CAF	CAD	120.6°	120.0°
CAM	CAF	H9	119.7°	120.0°
CAG	CAL	FAC	119.0°	120.0°
CAG	CAL	CAE	120.8°	119.9°
CAL	CAG	H10	120.5°	120.0°
CAF	CAD	CAE	119.1°	120.0°
CAF	CAD	H7	120.5°	120.0°
CAD	CAF	H9	119.7°	120.0°
FAC	CAL	CAE	120.1°	120.0°
CAL	CAE	CAD	120.1°	120.0°
CAL	CAE	H8	119.9°	120.0°
CAE	CAD	H7	120.5°	120.0°
CAD	CAE	H8	119.9°	120.0°
H1	CAA	H2	109.5°	109.4°
H1	CAA	H3	109.5°	109.5°
H2	CAA	H3	109.5°	109.5°
H4	CAB	H5	109.5°	109.4°
H4	CAB	H6	109.5°	109.5°
H5	CAB	H6	109.5°	109.5°
H11	CAH	H12	109.5°	109.5°
H13	CAI	H14	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAH	NAJ	CAO	H16	120.7°	123.8°
CAH	NAJ	CAO	CAA	72.4°	61.3°
CAH	NAJ	CAO	CAB	169.0°	178.6°
NAJ	CAH	CAN	H11	120.6°	120.0°
NAJ	CAH	CAN	H12	120.6°	120.0°
CAH	NAJ	CAO	CAI	47.9°	58.6°
NAJ	CAH	CAN	CAM	165.6°	176.8°
NAJ	CAH	CAN	OAK	47.5°	56.9°
NAJ	CAH	H11	H12	118.3°	120.1°
NAJ	CAH	CAN	H15	75.9°	63.1°
NAJ	CAO	CAA	CAB	118.0°	120.2°
NAJ	CAO	CAA	CAI	123.7°	119.7°
NAJ	CAO	CAB	CAI	124.4°	119.8°
CAO	NAJ	CAH	CAN	47.1°	58.6°
NAJ	CAO	CAI	OAK	48.6°	56.8°
NAJ	CAO	CAA	H1	180.0°	179.8°
NAJ	CAO	CAA	H2	60.0°	59.8°
NAJ	CAO	CAA	H3	60.0°	60.2°
NAJ	CAO	CAB	H4	180.0°	60.1°
NAJ	CAO	CAB	H5	60.0°	59.8°
NAJ	CAO	CAB	H6	60.0°	179.9°
CAO	NAJ	CAH	H11	167.7°	61.3°
CAO	NAJ	CAH	H12	73.5°	178.6°
NAJ	CAO	CAI	H13	169.1°	176.7°
NAJ	CAO	CAI	H14	71.9°	63.1°
CAA	CAO	CAB	CAI	118.5°	120.0°
CAA	CAO	CAI	OAK	71.1°	63.1°
CAO	CAA	H1	H2	120.0°	120.0°
CAO	CAA	H1	H3	120.0°	120.0°
CAO	CAA	H2	H3	120.0°	120.0°
CAA	CAO	CAB	H4	62.9°	60.0°
CAA	CAO	CAB	H5	57.1°	180.0°
CAA	CAO	CAB	H6	177.1°	59.9°
CAA	CAO	CAI	H13	49.4°	56.8°
CAA	CAO	CAI	H14	168.4°	177.0°
CAA	CAO	NAJ	H16	48.2°	62.5°
CAB	CAO	CAI	OAK	169.9°	176.8°
CAB	CAO	CAA	H1	62.0°	60.0°
CAB	CAO	CAA	H2	178.0°	179.9°
CAB	CAO	CAA	H3	58.0°	60.1°
CAO	CAB	H4	H5	120.0°	120.0°
CAO	CAB	H4	H6	120.0°	120.0°
CAO	CAB	H5	H6	120.0°	120.1°
CAB	CAO	CAI	H13	69.6°	63.3°
CAB	CAO	CAI	H14	49.4°	56.9°
CAB	CAO	NAJ	H16	70.3°	57.6°
CAH	CAN	CAM	OAK	122.6°	119.8°
CAH	CAN	CAM	H15	118.4°	120.1°
CAH	CAN	OAK	H15	122.7°	120.0°
CAH	CAN	OAK	CAI	49.0°	58.7°
CAH	CAN	CAM	CAG	88.6°	95.0°
CAH	CAN	CAM	CAF	91.7°	84.2°
CAN	CAH	H11	H12	118.3°	120.1°
CAN	CAH	NAJ	H16	167.8°	177.6°
CAO	CAI	OAK	CAN	49.1°	58.6°
CAO	CAI	OAK	H13	120.5°	119.9°
CAO	CAI	OAK	H14	120.5°	119.9°
CAI	CAO	CAA	H1	56.3°	60.1°
CAI	CAO	CAA	H2	63.7°	59.9°
CAI	CAO	CAA	H3	176.3°	179.9°
CAI	CAO	CAB	H4	55.6°	179.9°
CAI	CAO	CAB	H5	175.6°	60.0°
CAI	CAO	CAB	H6	64.4°	60.1°
CAO	CAI	H13	H14	118.5°	120.1°
CAI	CAO	NAJ	H16	168.6°	177.6°
CAM	CAN	OAK	H15	118.1°	120.1°
CAM	CAN	OAK	CAI	168.1°	178.6°
CAN	CAM	CAG	CAF	179.7°	179.2°
CAN	CAM	CAG	CAL	179.8°	180.0°
CAN	CAM	CAF	CAD	179.8°	179.8°
CAN	CAM	CAF	H9	0.2°	0.3°
CAN	CAM	CAG	H10	0.2°	0.0°
CAM	CAN	CAH	H11	73.8°	56.8°
CAM	CAN	CAH	H12	45.1°	63.2°
OAK	CAN	CAM	CAG	148.7°	145.2°
OAK	CAN	CAM	CAF	30.9°	35.6°
OAK	CAN	CAH	H11	168.1°	63.1°
OAK	CAN	CAH	H12	73.0°	176.8°
CAN	OAK	CAI	H13	169.6°	178.6°
CAN	OAK	CAI	H14	71.4°	61.3°
OAK	CAI	H13	H14	118.5°	120.1°
CAI	OAK	CAN	H15	73.7°	61.3°
CAM	CAG	CAL	H10	180.0°	180.0°
CAG	CAM	CAF	CAD	0.2°	0.6°
CAM	CAG	CAL	FAC	179.9°	180.0°
CAM	CAG	CAL	CAE	0.1°	0.6°
CAG	CAM	CAF	H9	179.8°	179.4°
CAG	CAM	CAN	H15	29.8°	25.1°
CAF	CAM	CAG	CAL	0.1°	0.9°
CAM	CAF	CAD	H9	180.0°	180.0°
CAM	CAF	CAD	CAE	0.1°	0.1°
CAM	CAF	CAD	H7	179.9°	179.7°
CAF	CAM	CAG	H10	179.9°	179.2°
CAF	CAM	CAN	H15	149.9°	155.7°
CAG	CAL	FAC	CAE	179.8°	179.4°
CAG	CAL	CAE	CAD	0.2°	0.1°
CAG	CAL	CAE	H8	179.8°	180.0°
CAF	CAD	CAE	CAL	0.1°	0.2°
CAF	CAD	CAE	H7	180.0°	179.8°
CAF	CAD	CAE	H8	179.9°	179.8°
FAC	CAL	CAE	CAD	179.9°	179.5°
FAC	CAL	CAE	H8	0.0°	0.6°
FAC	CAL	CAG	H10	0.1°	0.0°
CAL	CAE	CAD	H8	180.0°	179.9°
CAL	CAE	CAD	H7	179.9°	180.0°
CAE	CAL	CAG	H10	179.9°	179.4°
CAE	CAD	CAF	H9	180.0°	179.9°
H1	CAA	H2	H3	120.0°	120.0°
H4	CAB	H5	H6	120.0°	120.0°
H7	CAD	CAE	H8	0.1°	0.1°
H7	CAD	CAF	H9	0.1°	0.2°
H11	CAH	CAN	H15	44.6°	176.9°
H11	CAH	NAJ	H16	71.6°	62.4°
H12	CAH	CAN	H15	163.5°	56.9°
H12	CAH	NAJ	H16	47.2°	57.7°

Release date:	2020-07-15
Definition date:	2020-04-06
Last modified:	2020-07-10
Release status:	REL
Processing site:	PDBE
Derived from:	6YKE