Q7U

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL	CAK	sing	1.74Å	1.67Å
CAK	CAJ	sing	1.38Å	1.38Å	Aromatic
CAK	CAL	doub	1.39Å	1.39Å	Aromatic
CAJ	CAB	doub	1.38Å	1.38Å	Aromatic
CAB	CAC	sing	1.38Å	1.39Å	Aromatic
CAC	CAD	doub	1.38Å	1.39Å	Aromatic
CAD	CAL	sing	1.39Å	1.39Å	Aromatic
CAL	NAM	sing	1.40Å	1.34Å
NAM	CAN	sing	1.35Å	1.34Å
CAN	OAE	doub	1.22Å	1.22Å
CAN	NAO	sing	1.35Å	1.35Å
NAO	CAP	sing	1.38Å	1.33Å
CAP	NAQ	doub	1.31Å	1.33Å	Aromatic
CAP	NAF	sing	1.37Å	1.33Å	Aromatic
NAQ	CAR	sing	1.36Å	1.34Å	Aromatic
CAR	CAS	sing	1.40Å	1.33Å	Aromatic
CAR	CAG	doub	1.40Å	1.33Å	Aromatic
CAS	CAT	doub	1.38Å	1.39Å	Aromatic
CAT	CAI	sing	1.39Å	1.38Å	Aromatic
CAI	CAH	doub	1.38Å	1.38Å	Aromatic
CAH	CAG	sing	1.39Å	1.32Å	Aromatic
CAG	NAF	sing	1.38Å	1.32Å	Aromatic
NAF	CAA	sing	1.47Å	1.49Å
CAJ	HAJ	sing	1.08Å	1.08Å
CAB	HAB	sing	1.08Å	1.08Å
CAC	HAC	sing	1.08Å	1.08Å
CAD	HAD	sing	1.08Å	1.08Å
NAM	HAM	sing	0.97Å	1.00Å
NAO	HAO	sing	0.97Å	1.00Å
CAS	HAS	sing	1.08Å	1.08Å
CAT	HAT	sing	1.08Å	1.08Å
CAI	HAI	sing	1.08Å	1.08Å
CAH	HAH	sing	1.08Å	1.08Å
CAA	HAA1	sing	1.09Å	1.10Å
CAA	HAA2	sing	1.09Å	1.10Å
CAA	HAA3	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL	CAK	CAJ	117.4°	120.1°
CL	CAK	CAL	121.9°	120.0°
CAJ	CAK	CAL	120.6°	119.9°
CAK	CAJ	CAB	119.5°	120.1°
CAK	CAJ	HAJ	120.2°	119.9°
CAK	CAL	CAD	120.1°	119.8°
CAK	CAL	NAM	117.2°	120.1°
CAJ	CAB	CAC	120.3°	120.1°
CAB	CAJ	HAJ	120.2°	120.0°
CAJ	CAB	HAB	119.8°	119.9°
CAB	CAC	CAD	120.5°	120.1°
CAC	CAB	HAB	119.9°	119.9°
CAB	CAC	HAC	119.8°	119.9°
CAC	CAD	CAL	119.0°	120.0°
CAD	CAC	HAC	119.8°	120.0°
CAC	CAD	HAD	120.5°	120.0°
CAD	CAL	NAM	122.7°	120.1°
CAL	CAD	HAD	120.5°	120.1°
CAL	NAM	CAN	116.5°	120.0°
CAL	NAM	HAM	121.7°	120.0°
NAM	CAN	OAE	119.8°	120.1°
NAM	CAN	NAO	120.0°	120.0°
CAN	NAM	HAM	121.8°	120.0°
OAE	CAN	NAO	120.1°	120.0°
CAN	NAO	CAP	119.5°	120.0°
CAN	NAO	HAO	120.3°	120.1°
NAO	CAP	NAQ	126.5°	125.1°
NAO	CAP	NAF	123.7°	125.0°
CAP	NAO	HAO	120.3°	120.0°
NAQ	CAP	NAF	109.7°	109.9°
CAP	NAQ	CAR	105.9°	109.7°
CAP	NAF	CAG	107.5°	107.3°
CAP	NAF	CAA	131.3°	126.4°
NAQ	CAR	CAS	131.2°	133.4°
NAQ	CAR	CAG	109.1°	107.1°
CAS	CAR	CAG	119.7°	119.5°
CAR	CAS	CAT	120.8°	119.8°
CAR	CAS	HAS	119.6°	120.1°
CAR	CAG	CAH	122.7°	120.0°
CAR	CAG	NAF	107.7°	106.1°
CAS	CAT	CAI	118.4°	120.5°
CAT	CAS	HAS	119.6°	120.1°
CAS	CAT	HAT	120.8°	119.7°
CAT	CAI	CAH	118.7°	120.5°
CAI	CAT	HAT	120.8°	119.8°
CAT	CAI	HAI	120.7°	119.8°
CAI	CAH	CAG	119.8°	119.8°
CAH	CAI	HAI	120.7°	119.8°
CAI	CAH	HAH	120.1°	120.1°
CAH	CAG	NAF	129.6°	133.9°
CAG	CAH	HAH	120.1°	120.1°
CAG	NAF	CAA	121.2°	126.3°
NAF	CAA	HAA1	109.5°	109.5°
NAF	CAA	HAA2	109.5°	109.5°
NAF	CAA	HAA3	109.5°	109.4°
HAA1	CAA	HAA2	109.5°	109.5°
HAA1	CAA	HAA3	109.5°	109.5°
HAA2	CAA	HAA3	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL	CAK	CAJ	CAL	179.9°	179.7°
CL	CAK	CAJ	CAB	179.8°	180.0°
CL	CAK	CAL	CAD	179.5°	179.7°
CL	CAK	CAL	NAM	0.3°	0.1°
CL	CAK	CAJ	HAJ	0.3°	0.1°
CAK	CAJ	CAB	HAJ	180.0°	179.9°
CAK	CAJ	CAB	CAC	0.0°	0.0°
CAJ	CAK	CAL	CAD	0.6°	0.7°
CAJ	CAK	CAL	NAM	179.8°	179.7°
CAK	CAJ	CAB	HAB	180.0°	180.0°
CAL	CAK	CAJ	CAB	0.3°	0.3°
CAK	CAL	CAD	CAC	0.5°	0.7°
CAK	CAL	CAD	NAM	179.2°	179.6°
CAK	CAL	NAM	CAN	157.8°	145.0°
CAL	CAK	CAJ	HAJ	179.6°	179.7°
CAK	CAL	CAD	HAD	179.5°	179.7°
CAK	CAL	NAM	HAM	22.2°	35.1°
CAJ	CAB	CAC	HAB	180.0°	180.0°
CAJ	CAB	CAC	CAD	0.1°	0.0°
CAJ	CAB	CAC	HAC	180.0°	180.0°
CAB	CAC	CAD	HAC	180.0°	179.9°
CAB	CAC	CAD	CAL	0.2°	0.4°
CAC	CAB	CAJ	HAJ	180.0°	179.9°
CAB	CAC	CAD	HAD	179.8°	180.0°
CAC	CAD	CAL	HAD	180.0°	179.6°
CAC	CAD	CAL	NAM	179.6°	179.7°
CAD	CAC	CAB	HAB	179.9°	180.0°
CAD	CAL	NAM	CAN	23.1°	34.6°
CAL	CAD	CAC	HAC	179.8°	179.7°
CAD	CAL	NAM	HAM	157.0°	145.3°
CAL	NAM	CAN	HAM	180.0°	179.9°
CAL	NAM	CAN	OAE	0.9°	4.5°
CAL	NAM	CAN	NAO	178.3°	175.6°
NAM	CAL	CAD	HAD	0.3°	0.1°
NAM	CAN	OAE	NAO	179.2°	179.9°
NAM	CAN	NAO	CAP	3.0°	180.0°
NAM	CAN	NAO	HAO	177.0°	0.1°
OAE	CAN	NAO	CAP	177.8°	0.1°
OAE	CAN	NAM	HAM	179.1°	175.4°
OAE	CAN	NAO	HAO	2.3°	180.0°
CAN	NAO	CAP	HAO	180.0°	179.9°
CAN	NAO	CAP	NAQ	13.0°	0.1°
CAN	NAO	CAP	NAF	170.4°	179.7°
NAO	CAN	NAM	HAM	1.7°	4.5°
NAO	CAP	NAQ	NAF	177.0°	179.7°
NAO	CAP	NAQ	CAR	177.8°	179.9°
NAO	CAP	NAF	CAG	178.3°	179.9°
NAO	CAP	NAF	CAA	2.6°	0.0°
CAP	NAQ	CAR	CAS	179.7°	180.0°
CAP	NAQ	CAR	CAG	0.1°	0.0°
NAQ	CAP	NAF	CAG	1.2°	0.4°
NAQ	CAP	NAF	CAA	179.7°	179.7°
NAQ	CAP	NAO	HAO	167.0°	180.0°
NAF	CAP	NAQ	CAR	0.8°	0.2°
CAP	NAF	CAG	CAR	1.1°	0.4°
CAP	NAF	CAG	CAH	179.1°	179.8°
CAP	NAF	CAG	CAA	179.2°	179.8°
NAF	CAP	NAO	HAO	9.6°	0.4°
CAP	NAF	CAA	HAA1	180.0°	90.0°
CAP	NAF	CAA	HAA2	60.0°	150.0°
CAP	NAF	CAA	HAA3	60.0°	30.0°
NAQ	CAR	CAS	CAG	179.7°	179.9°
NAQ	CAR	CAS	CAT	179.3°	179.9°
NAQ	CAR	CAG	CAH	179.5°	179.9°
NAQ	CAR	CAG	NAF	0.7°	0.3°
NAQ	CAR	CAS	HAS	0.8°	0.0°
CAR	CAS	CAT	HAS	180.0°	179.9°
CAR	CAS	CAT	CAI	0.6°	0.0°
CAS	CAR	CAG	CAH	0.3°	0.0°
CAS	CAR	CAG	NAF	179.6°	179.8°
CAR	CAS	CAT	HAT	179.4°	180.0°
CAG	CAR	CAS	CAT	0.5°	0.0°
CAR	CAG	CAH	CAI	0.2°	0.1°
CAR	CAG	CAH	NAF	179.8°	179.7°
CAR	CAG	NAF	CAA	179.7°	179.7°
CAG	CAR	CAS	HAS	179.5°	179.9°
CAR	CAG	CAH	HAH	179.8°	179.9°
CAS	CAT	CAI	HAT	180.0°	180.0°
CAS	CAT	CAI	CAH	0.4°	0.0°
CAS	CAT	CAI	HAI	179.5°	180.0°
CAT	CAI	CAH	HAI	180.0°	180.0°
CAT	CAI	CAH	CAG	0.3°	0.0°
CAI	CAT	CAS	HAS	179.4°	179.9°
CAT	CAI	CAH	HAH	179.7°	180.0°
CAI	CAH	CAG	HAH	180.0°	180.0°
CAI	CAH	CAG	NAF	179.6°	179.7°
CAH	CAI	CAT	HAT	179.5°	180.0°
CAH	CAG	NAF	CAA	0.2°	0.0°
CAG	CAH	CAI	HAI	179.7°	180.0°
NAF	CAG	CAH	HAH	0.4°	0.3°
CAG	NAF	CAA	HAA1	1.0°	89.9°
CAG	NAF	CAA	HAA2	119.0°	30.2°
CAG	NAF	CAA	HAA3	121.0°	150.2°
NAF	CAA	HAA1	HAA2	120.0°	120.0°
NAF	CAA	HAA1	HAA3	120.0°	119.9°
NAF	CAA	HAA2	HAA3	120.0°	119.9°
HAJ	CAJ	CAB	HAB	0.0°	0.1°
HAB	CAB	CAC	HAC	0.1°	0.1°
HAC	CAC	CAD	HAD	0.2°	0.1°
HAS	CAS	CAT	HAT	0.6°	0.0°
HAT	CAT	CAI	HAI	0.5°	0.0°
HAI	CAI	CAH	HAH	0.3°	0.0°
HAA1	CAA	HAA2	HAA3	120.0°	120.0°

Release date:	2013-09-18
Definition date:	2013-05-17
Last modified:	2014-09-05
Release status:	REL
Processing site:	EBI
Derived from:	4BNV