4ME

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAJ	OAM	sing	1.45Å	1.43Å
OAM	CAI	sing	1.35Å	1.35Å
CAI	OAL	doub	1.22Å	1.23Å
CAI	CAG	sing	1.47Å	1.52Å
CAG	CAB	sing	1.39Å	1.39Å	Aromatic
CAG	CAF	doub	1.41Å	1.39Å	Aromatic
CAB	CAA	doub	1.38Å	1.39Å	Aromatic
CAA	CAC	sing	1.38Å	1.38Å	Aromatic
CAC	CAH	doub	1.39Å	1.39Å	Aromatic
CAH	CAF	sing	1.41Å	1.39Å	Aromatic
CAH	NAK	sing	1.38Å	1.32Å	Aromatic
CAF	CAD	sing	1.42Å	1.33Å	Aromatic
CAD	CAE	doub	1.34Å	1.33Å	Aromatic
CAE	NAK	sing	1.37Å	1.34Å	Aromatic
CAJ	HAJ1	sing	1.09Å	1.10Å
CAJ	HAJ2	sing	1.09Å	1.10Å
CAJ	HAJ3	sing	1.09Å	1.10Å
CAB	HAB	sing	1.08Å	1.08Å
CAA	HAA	sing	1.08Å	1.08Å
CAC	HAC	sing	1.08Å	1.08Å
NAK	HAK	sing	0.97Å	1.00Å
CAD	HAD	sing	1.08Å	1.08Å
CAE	HAE	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAJ	OAM	CAI	112.6°	117.0°
OAM	CAJ	HAJ1	109.5°	109.5°
OAM	CAJ	HAJ2	109.4°	109.5°
OAM	CAJ	HAJ3	109.5°	109.5°
OAM	CAI	OAL	121.5°	120.0°
OAM	CAI	CAG	116.9°	120.0°
OAL	CAI	CAG	121.5°	120.0°
CAI	CAG	CAB	118.0°	120.3°
CAI	CAG	CAF	122.2°	120.3°
CAB	CAG	CAF	119.8°	119.4°
CAG	CAB	CAA	119.6°	120.3°
CAG	CAB	HAB	120.2°	119.9°
CAG	CAF	CAH	120.0°	119.6°
CAG	CAF	CAD	132.8°	133.7°
CAB	CAA	CAC	121.3°	120.8°
CAA	CAB	HAB	120.2°	119.9°
CAB	CAA	HAA	119.3°	119.6°
CAA	CAC	CAH	119.0°	120.3°
CAC	CAA	HAA	119.3°	119.6°
CAA	CAC	HAC	120.5°	119.9°
CAC	CAH	CAF	120.3°	119.7°
CAC	CAH	NAK	132.2°	133.4°
CAH	CAC	HAC	120.5°	119.9°
CAF	CAH	NAK	107.5°	107.0°
CAH	CAF	CAD	107.2°	106.7°
CAH	NAK	CAE	107.9°	108.8°
CAH	NAK	HAK	126.0°	125.6°
CAF	CAD	CAE	107.8°	107.9°
CAF	CAD	HAD	126.1°	126.1°
CAD	CAE	NAK	109.6°	109.6°
CAE	CAD	HAD	126.1°	126.1°
CAD	CAE	HAE	125.2°	125.2°
CAE	NAK	HAK	126.0°	125.6°
NAK	CAE	HAE	125.2°	125.1°
HAJ1	CAJ	HAJ2	109.5°	109.5°
HAJ1	CAJ	HAJ3	109.5°	109.4°
HAJ2	CAJ	HAJ3	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAJ	OAM	CAI	OAL	0.5°	0.0°
CAJ	OAM	CAI	CAG	179.9°	180.0°
OAM	CAJ	HAJ1	HAJ2	120.0°	120.1°
OAM	CAJ	HAJ1	HAJ3	120.0°	120.0°
OAM	CAJ	HAJ2	HAJ3	120.0°	120.0°
OAM	CAI	OAL	CAG	179.6°	180.0°
OAM	CAI	CAG	CAB	1.4°	0.0°
OAM	CAI	CAG	CAF	178.9°	179.7°
CAI	OAM	CAJ	HAJ1	180.0°	60.0°
CAI	OAM	CAJ	HAJ2	60.0°	60.1°
CAI	OAM	CAJ	HAJ3	60.0°	180.0°
OAL	CAI	CAG	CAB	179.0°	180.0°
OAL	CAI	CAG	CAF	0.7°	0.3°
CAI	CAG	CAB	CAF	179.7°	179.8°
CAI	CAG	CAB	CAA	180.0°	180.0°
CAI	CAG	CAF	CAH	179.7°	179.7°
CAI	CAG	CAF	CAD	0.3°	0.0°
CAI	CAG	CAB	HAB	0.0°	0.0°
CAG	CAB	CAA	HAB	180.0°	180.0°
CAG	CAB	CAA	CAC	0.3°	0.1°
CAB	CAG	CAF	CAH	0.6°	0.6°
CAB	CAG	CAF	CAD	179.9°	179.7°
CAG	CAB	CAA	HAA	179.7°	180.0°
CAF	CAG	CAB	CAA	0.4°	0.2°
CAG	CAF	CAH	CAC	0.8°	0.6°
CAG	CAF	CAH	CAD	179.6°	179.8°
CAG	CAF	CAH	NAK	179.9°	179.6°
CAG	CAF	CAD	CAE	179.9°	180.0°
CAF	CAG	CAB	HAB	179.6°	179.7°
CAG	CAF	CAD	HAD	0.1°	0.0°
CAB	CAA	CAC	HAA	180.0°	180.0°
CAB	CAA	CAC	CAH	0.5°	0.0°
CAB	CAA	CAC	HAC	179.5°	179.9°
CAA	CAC	CAH	HAC	180.0°	180.0°
CAA	CAC	CAH	CAF	0.7°	0.3°
CAA	CAC	CAH	NAK	179.6°	180.0°
CAC	CAA	CAB	HAB	179.7°	180.0°
CAC	CAH	CAF	NAK	179.1°	179.8°
CAC	CAH	CAF	CAD	179.6°	179.6°
CAC	CAH	NAK	CAE	179.4°	179.2°
CAH	CAC	CAA	HAA	179.5°	180.0°
CAC	CAH	NAK	HAK	0.6°	0.0°
CAH	CAF	CAD	CAE	0.4°	0.3°
CAF	CAH	NAK	CAE	0.4°	0.6°
CAF	CAH	CAC	HAC	179.3°	179.7°
CAF	CAH	NAK	HAK	179.6°	179.7°
CAH	CAF	CAD	HAD	179.6°	179.8°
NAK	CAH	CAF	CAD	0.5°	0.2°
CAH	NAK	CAE	CAD	0.2°	0.8°
CAH	NAK	CAE	HAK	180.0°	179.2°
NAK	CAH	CAC	HAC	0.4°	0.0°
CAH	NAK	CAE	HAE	179.8°	179.9°
CAF	CAD	CAE	HAD	180.0°	179.9°
CAF	CAD	CAE	NAK	0.1°	0.7°
CAF	CAD	CAE	HAE	179.9°	180.0°
CAD	CAE	NAK	HAE	180.0°	179.3°
CAD	CAE	NAK	HAK	179.8°	180.0°
NAK	CAE	CAD	HAD	179.8°	179.4°
HAJ1	CAJ	HAJ2	HAJ3	120.0°	119.9°
HAB	CAB	CAA	HAA	0.3°	0.0°
HAA	CAA	CAC	HAC	0.5°	0.0°
HAK	NAK	CAE	HAE	0.2°	0.7°
HAD	CAD	CAE	HAE	0.1°	0.1°

Release date:	2013-02-01
Definition date:	2012-07-20
Last modified:	2014-09-05
Release status:	REL
Processing site:	EBI
Derived from:	4B35