12B

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAA	CAB	sing	1.39Å	1.38Å	Aromatic
CAA	CAD	doub	1.40Å	1.38Å	Aromatic
CAA	CAC	sing	1.40Å	1.37Å	Aromatic
CAB	CAF	doub	1.38Å	1.39Å	Aromatic
CAB	NAE	sing	1.39Å	1.34Å
CAF	CAK	sing	1.39Å	1.40Å	Aromatic
CAF	HAF	sing	1.08Å	1.10Å
CAK	CAJ	doub	1.37Å	1.40Å	Aromatic
CAK	HAK	sing	1.08Å	1.10Å
CAJ	CAD	sing	1.40Å	1.39Å	Aromatic
CAJ	HAJ	sing	1.08Å	1.10Å
CAD	CAI	sing	1.41Å	1.40Å	Aromatic
CAI	CAM	doub	1.37Å	1.40Å	Aromatic
CAI	HAI	sing	1.08Å	1.10Å
CAM	CAH	sing	1.39Å	1.40Å	Aromatic
CAM	HAM	sing	1.08Å	1.10Å
CAH	CAC	doub	1.38Å	1.39Å	Aromatic
CAH	HAH	sing	1.08Å	1.10Å
CAC	CAG	sing	1.47Å	1.39Å
CAG	OAL	doub	1.22Å	1.22Å
CAG	NAE	sing	1.36Å	1.34Å
NAE	HAE	sing	0.97Å	1.02Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAB	CAA	CAD	125.4°	125.1°
CAB	CAA	CAC	110.5°	110.6°
CAA	CAB	CAF	117.4°	116.2°
CAA	CAB	NAE	107.0°	106.8°
CAD	CAA	CAC	124.0°	124.3°
CAA	CAD	CAJ	117.4°	117.1°
CAA	CAD	CAI	118.2°	117.2°
CAA	CAC	CAH	118.6°	116.7°
CAA	CAC	CAG	103.2°	104.2°
CAF	CAB	NAE	135.6°	137.0°
CAB	CAF	CAK	118.6°	120.0°
CAB	CAF	HAF	120.3°	120.0°
CAB	NAE	CAG	108.1°	110.4°
CAB	NAE	HAE	125.8°	124.8°
CAK	CAF	HAF	121.1°	120.0°
CAF	CAK	CAJ	122.5°	123.3°
CAF	CAK	HAK	118.7°	118.4°
CAJ	CAK	HAK	118.7°	118.3°
CAK	CAJ	CAD	118.6°	118.5°
CAK	CAJ	HAJ	121.1°	120.8°
CAD	CAJ	HAJ	120.3°	120.8°
CAJ	CAD	CAI	124.4°	125.8°
CAD	CAI	CAM	119.1°	118.9°
CAD	CAI	HAI	120.2°	120.5°
CAM	CAI	HAI	120.7°	120.5°
CAI	CAM	CAH	121.0°	123.1°
CAI	CAM	HAM	119.5°	118.4°
CAH	CAM	HAM	119.5°	118.5°
CAM	CAH	CAC	119.2°	119.7°
CAM	CAH	HAH	120.8°	120.1°
CAC	CAH	HAH	120.0°	120.2°
CAH	CAC	CAG	138.2°	139.0°
CAC	CAG	OAL	124.2°	126.0°
CAC	CAG	NAE	111.1°	108.0°
OAL	CAG	NAE	124.7°	126.0°
CAG	NAE	HAE	126.2°	124.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAB	CAA	CAD	CAC	180.0°	179.7°
CAA	CAB	CAF	NAE	179.7°	180.0°
CAA	CAB	CAF	CAK	0.1°	0.0°
CAA	CAB	CAF	HAF	179.9°	180.0°
CAB	CAA	CAD	CAJ	0.2°	0.0°
CAB	CAA	CAD	CAI	179.9°	180.0°
CAB	CAA	CAC	CAH	180.0°	179.6°
CAB	CAA	CAC	CAG	0.1°	0.4°
CAA	CAB	NAE	CAG	0.1°	0.0°
CAA	CAB	NAE	HAE	179.9°	180.0°
CAD	CAA	CAB	CAF	0.1°	0.0°
CAD	CAA	CAB	NAE	179.9°	180.0°
CAA	CAD	CAJ	CAK	0.2°	0.0°
CAA	CAD	CAJ	CAI	179.7°	180.0°
CAA	CAD	CAJ	HAJ	179.9°	179.9°
CAA	CAD	CAI	CAM	0.2°	0.0°
CAA	CAD	CAI	HAI	179.8°	180.0°
CAD	CAA	CAC	CAH	0.0°	0.7°
CAD	CAA	CAC	CAG	179.9°	179.8°
CAC	CAA	CAB	CAF	179.9°	179.7°
CAC	CAA	CAB	NAE	0.1°	0.3°
CAC	CAA	CAD	CAJ	179.9°	179.7°
CAC	CAA	CAD	CAI	0.1°	0.3°
CAA	CAC	CAH	CAM	0.0°	0.7°
CAA	CAC	CAH	CAG	179.9°	178.8°
CAA	CAC	CAH	HAH	180.0°	179.7°
CAA	CAC	CAG	OAL	179.7°	179.9°
CAA	CAC	CAG	NAE	0.0°	0.5°
CAB	CAF	CAK	HAF	180.0°	180.0°
CAB	CAF	CAK	CAJ	0.1°	0.0°
CAB	CAF	CAK	HAK	179.9°	179.9°
CAF	CAB	NAE	CAG	179.8°	180.0°
CAF	CAB	NAE	HAE	0.2°	0.0°
NAE	CAB	CAF	CAK	179.8°	180.0°
NAE	CAB	CAF	HAF	0.2°	0.0°
CAB	NAE	CAG	CAC	0.0°	0.3°
CAB	NAE	CAG	OAL	179.8°	180.0°
CAB	NAE	CAG	HAE	180.0°	180.0°
CAF	CAK	CAJ	HAK	180.0°	179.9°
CAF	CAK	CAJ	CAD	0.1°	0.0°
CAF	CAK	CAJ	HAJ	179.9°	179.9°
HAF	CAF	CAK	CAJ	179.9°	180.0°
HAF	CAF	CAK	HAK	0.1°	0.1°
CAK	CAJ	CAD	HAJ	180.0°	179.9°
CAK	CAJ	CAD	CAI	179.9°	180.0°
HAK	CAK	CAJ	CAD	179.9°	179.9°
HAK	CAK	CAJ	HAJ	0.1°	0.0°
CAJ	CAD	CAI	CAM	179.9°	180.0°
CAJ	CAD	CAI	HAI	0.1°	0.0°
HAJ	CAJ	CAD	CAI	0.1°	0.1°
CAD	CAI	CAM	HAI	180.0°	180.0°
CAD	CAI	CAM	CAH	0.2°	0.0°
CAD	CAI	CAM	HAM	179.8°	180.0°
CAI	CAM	CAH	HAM	180.0°	180.0°
CAI	CAM	CAH	CAC	0.1°	0.4°
CAI	CAM	CAH	HAH	179.9°	180.0°
HAI	CAI	CAM	CAH	179.8°	180.0°
HAI	CAI	CAM	HAM	0.2°	0.0°
CAM	CAH	CAC	HAH	180.0°	179.6°
CAM	CAH	CAC	CAG	179.9°	179.4°
HAM	CAM	CAH	CAC	179.9°	179.6°
HAM	CAM	CAH	HAH	0.1°	0.0°
CAH	CAC	CAG	OAL	0.2°	1.0°
CAH	CAC	CAG	NAE	179.9°	179.3°
HAH	CAH	CAC	CAG	0.1°	0.9°
CAC	CAG	OAL	NAE	179.7°	179.6°
CAC	CAG	NAE	HAE	180.0°	179.7°
OAL	CAG	NAE	HAE	0.2°	0.1°

Definition date:	2005-11-30
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	2F67