QGK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAF	NAI	sing	1.47Å	1.47Å
CAF	CAH	sing	1.53Å	1.51Å
NAI	CAO	sing	1.47Å	1.46Å
CAH	CAK	sing	1.51Å	1.37Å
CAO	CAG	sing	1.53Å	1.54Å
CAO	CAL	sing	1.51Å	1.40Å
CAK	CAL	doub	1.35Å	1.34Å	Aromatic
CAK	CAN	sing	1.46Å	1.36Å	Aromatic
CAL	NAJ	sing	1.36Å	1.34Å	Aromatic
CAE	CAN	doub	1.40Å	1.33Å	Aromatic
CAE	CAC	sing	1.37Å	1.40Å	Aromatic
CAN	CAM	sing	1.41Å	1.34Å	Aromatic
NAJ	CAM	sing	1.38Å	1.34Å	Aromatic
CAC	CAB	doub	1.39Å	1.38Å	Aromatic
CAM	CAD	doub	1.39Å	1.34Å	Aromatic
CAB	CAD	sing	1.38Å	1.40Å	Aromatic
CAB	H1	sing	1.08Å	1.08Å
CAC	H2	sing	1.08Å	1.08Å
CAG	H3	sing	1.09Å	1.10Å
CAG	H4	sing	1.09Å	1.10Å
CAG	H5	sing	1.09Å	1.10Å
CAO	H6	sing	1.09Å	1.10Å
NAJ	H7	sing	0.97Å	1.00Å
CAD	H8	sing	1.08Å	1.08Å
CAE	H9	sing	1.08Å	1.08Å
CAH	H10	sing	1.09Å	1.10Å
CAH	H11	sing	1.09Å	1.10Å
CAF	H12	sing	1.09Å	1.10Å
CAF	H13	sing	1.09Å	1.10Å
NAI	H14	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
NAI	CAF	CAH	112.8°	109.4°
CAF	NAI	CAO	110.7°	111.5°
NAI	CAF	H12	108.6°	109.5°
NAI	CAF	H13	108.6°	109.5°
CAF	NAI	H14	109.2°	111.0°
CAF	CAH	CAK	111.6°	107.9°
CAF	CAH	H10	108.9°	109.8°
CAF	CAH	H11	108.9°	109.9°
CAH	CAF	H12	108.6°	109.5°
CAH	CAF	H13	108.6°	109.5°
NAI	CAO	CAG	106.8°	109.7°
NAI	CAO	CAL	109.7°	108.4°
NAI	CAO	H6	110.0°	109.7°
CAO	NAI	H14	109.2°	111.0°
CAH	CAK	CAL	124.0°	123.8°
CAH	CAK	CAN	127.4°	128.8°
CAK	CAH	H10	108.9°	109.7°
CAK	CAH	H11	108.9°	109.8°
CAG	CAO	CAL	110.5°	109.7°
CAO	CAG	H3	109.5°	109.5°
CAO	CAG	H4	109.5°	109.5°
CAO	CAG	H5	109.5°	109.5°
CAG	CAO	H6	108.9°	109.6°
CAO	CAL	CAK	124.9°	122.9°
CAO	CAL	NAJ	128.1°	127.5°
CAL	CAO	H6	110.9°	109.7°
CAL	CAK	CAN	108.6°	107.4°
CAK	CAL	NAJ	107.0°	109.6°
CAK	CAN	CAE	131.0°	134.5°
CAK	CAN	CAM	107.4°	105.8°
CAL	NAJ	CAM	109.3°	109.9°
CAL	NAJ	H7	125.3°	125.0°
CAN	CAE	CAC	120.1°	119.9°
CAE	CAN	CAM	121.6°	119.7°
CAN	CAE	H9	119.9°	120.1°
CAE	CAC	CAB	118.2°	120.6°
CAE	CAC	H2	120.9°	119.7°
CAC	CAE	H9	120.0°	120.1°
CAN	CAM	NAJ	107.8°	107.2°
CAN	CAM	CAD	121.2°	119.4°
NAJ	CAM	CAD	131.1°	133.4°
CAM	NAJ	H7	125.4°	125.1°
CAC	CAB	CAD	119.4°	120.6°
CAC	CAB	H1	120.3°	119.7°
CAB	CAC	H2	120.9°	119.7°
CAM	CAD	CAB	119.5°	119.9°
CAM	CAD	H8	120.2°	120.1°
CAD	CAB	H1	120.3°	119.7°
CAB	CAD	H8	120.3°	120.1°
H3	CAG	H4	109.5°	109.4°
H3	CAG	H5	109.5°	109.5°
H4	CAG	H5	109.4°	109.5°
H10	CAH	H11	109.5°	109.8°
H12	CAF	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
NAI	CAF	CAH	H12	120.5°	120.0°
NAI	CAF	CAH	H13	120.5°	120.0°
CAF	NAI	CAO	H14	120.2°	124.3°
NAI	CAF	CAH	CAK	36.0°	48.8°
CAF	NAI	CAO	CAG	169.0°	171.4°
CAF	NAI	CAO	CAL	49.2°	51.7°
CAF	NAI	CAO	H6	73.0°	68.1°
NAI	CAF	CAH	H10	84.3°	168.3°
NAI	CAF	CAH	H11	156.3°	70.8°
NAI	CAF	H12	H13	118.5°	120.0°
CAH	CAF	NAI	CAO	59.6°	71.3°
CAF	CAH	CAK	H10	120.3°	119.6°
CAF	CAH	CAK	H11	120.3°	119.7°
CAF	CAH	CAK	CAL	5.3°	15.6°
CAF	CAH	CAK	CAN	171.6°	164.7°
CAF	CAH	H10	H11	119.1°	120.9°
CAH	CAF	H12	H13	118.4°	120.0°
CAH	CAF	NAI	H14	179.7°	164.4°
NAI	CAO	CAG	CAL	119.2°	119.0°
NAI	CAO	CAG	H6	118.7°	120.5°
NAI	CAO	CAL	H6	121.7°	119.8°
NAI	CAO	CAL	CAK	19.8°	16.7°
NAI	CAO	CAL	NAJ	159.7°	163.3°
NAI	CAO	CAG	H3	180.0°	179.0°
NAI	CAO	CAG	H4	60.0°	61.1°
NAI	CAO	CAG	H5	60.0°	59.0°
CAO	NAI	CAF	H12	179.9°	48.7°
CAO	NAI	CAF	H13	60.9°	168.7°
CAH	CAK	CAL	CAO	2.7°	0.3°
CAH	CAK	CAL	CAN	177.4°	179.8°
CAH	CAK	CAL	NAJ	177.7°	179.8°
CAH	CAK	CAN	CAE	1.9°	0.2°
CAH	CAK	CAN	CAM	176.9°	179.8°
CAK	CAH	H10	H11	119.0°	120.7°
CAK	CAH	CAF	H12	156.5°	71.3°
CAK	CAH	CAF	H13	84.5°	168.7°
CAG	CAO	CAL	H6	120.9°	120.5°
CAG	CAO	CAL	CAK	137.3°	136.4°
CAG	CAO	CAL	NAJ	42.2°	43.5°
CAO	CAG	H3	H4	120.0°	120.0°
CAO	CAG	H3	H5	120.0°	120.0°
CAO	CAG	H4	H5	120.0°	120.0°
CAG	CAO	NAI	H14	70.8°	64.3°
CAO	CAL	CAK	NAJ	179.6°	180.0°
CAO	CAL	CAK	CAN	179.9°	179.5°
CAO	CAL	NAJ	CAM	179.5°	179.7°
CAL	CAO	CAG	H3	60.8°	60.0°
CAL	CAO	CAG	H4	179.2°	180.0°
CAL	CAO	CAG	H5	59.3°	60.0°
CAO	CAL	NAJ	H7	0.5°	0.0°
CAL	CAO	NAI	H14	169.4°	175.9°
CAL	CAK	CAN	CAE	179.2°	179.9°
CAL	CAK	CAN	CAM	0.5°	0.4°
CAK	CAL	NAJ	CAM	0.9°	0.3°
CAK	CAL	CAO	H6	101.8°	103.1°
CAK	CAL	NAJ	H7	179.1°	180.0°
CAL	CAK	CAH	H10	114.9°	135.2°
CAL	CAK	CAH	H11	125.6°	104.1°
CAN	CAK	CAL	NAJ	0.3°	0.4°
CAK	CAN	CAE	CAM	178.6°	179.6°
CAK	CAN	CAE	CAC	179.6°	179.7°
CAK	CAN	CAM	NAJ	1.0°	0.3°
CAK	CAN	CAM	CAD	179.4°	179.7°
CAK	CAN	CAE	H9	0.4°	0.4°
CAN	CAK	CAH	H10	68.1°	45.1°
CAN	CAK	CAH	H11	51.3°	75.6°
CAL	NAJ	CAM	CAN	1.2°	0.0°
CAL	NAJ	CAM	H7	180.0°	179.7°
CAL	NAJ	CAM	CAD	179.4°	180.0°
NAJ	CAL	CAO	H6	78.7°	76.9°
CAN	CAE	CAC	H9	180.0°	179.9°
CAE	CAN	CAM	NAJ	179.9°	180.0°
CAN	CAE	CAC	CAB	1.4°	0.1°
CAE	CAN	CAM	CAD	1.7°	0.0°
CAN	CAE	CAC	H2	178.6°	180.0°
CAC	CAE	CAN	CAM	1.8°	0.1°
CAE	CAC	CAB	H2	180.0°	179.9°
CAE	CAC	CAB	CAD	0.9°	0.1°
CAE	CAC	CAB	H1	179.1°	180.0°
CAN	CAM	NAJ	CAD	178.1°	180.0°
CAN	CAM	CAD	CAB	1.2°	0.1°
CAN	CAM	NAJ	H7	178.8°	179.7°
CAN	CAM	CAD	H8	178.8°	180.0°
CAM	CAN	CAE	H9	178.2°	180.0°
NAJ	CAM	CAD	CAB	179.1°	179.9°
NAJ	CAM	CAD	H8	0.9°	0.0°
CAC	CAB	CAD	CAM	0.8°	0.1°
CAC	CAB	CAD	H1	180.0°	179.9°
CAC	CAB	CAD	H8	179.2°	179.9°
CAB	CAC	CAE	H9	178.6°	180.0°
CAM	CAD	CAB	H8	180.0°	179.9°
CAM	CAD	CAB	H1	179.2°	180.0°
CAD	CAM	NAJ	H7	0.7°	0.3°
CAD	CAB	CAC	H2	179.1°	179.9°
H1	CAB	CAC	H2	0.9°	0.1°
H1	CAB	CAD	H8	0.8°	0.1°
H2	CAC	CAE	H9	1.4°	0.1°
H3	CAG	H4	H5	120.0°	120.0°
H3	CAG	CAO	H6	61.2°	60.5°
H4	CAG	CAO	H6	58.8°	59.5°
H5	CAG	CAO	H6	178.7°	179.5°
H6	CAO	NAI	H14	47.2°	56.2°
H10	CAH	CAF	H12	36.2°	48.3°
H10	CAH	CAF	H13	155.2°	71.7°
H11	CAH	CAF	H12	83.2°	169.1°
H11	CAH	CAF	H13	35.8°	49.1°
H12	CAF	NAI	H14	59.7°	75.6°
H13	CAF	NAI	H14	59.3°	44.4°

Release date:	2020-09-02
Definition date:	2020-06-16
Last modified:	2020-08-28
Release status:	REL
Processing site:	PDBE
Derived from:	6ZEA