AKD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OAA	CAM	sing	1.22Å	1.25Å
OAB	CAM	doub	1.22Å	1.23Å
BRAC	CAN	sing	1.89Å	1.87Å
CAD	CAE	doub	1.38Å	1.37Å	Aromatic
CAD	CAN	sing	1.39Å	1.36Å	Aromatic
CAE	CAO	sing	1.39Å	1.41Å	Aromatic
CAF	CAN	doub	1.38Å	1.41Å	Aromatic
CAF	CAP	sing	1.40Å	1.38Å	Aromatic
CAG	CAH	sing	1.53Å	1.55Å
CAG	CAI	sing	1.53Å	1.56Å
CAH	NAK	sing	1.47Å	1.48Å
CAI	CAQ	sing	1.53Å	1.55Å
CAJ	NAK	sing	1.47Å	1.48Å
CAJ	CAQ	sing	1.53Å	1.52Å
NAL	CAO	sing	1.39Å	1.37Å
NAL	CAQ	sing	1.47Å	1.51Å
CAM	CAP	sing	1.47Å	1.52Å
CAO	CAP	doub	1.40Å	1.41Å	Aromatic
CAD	HAD	sing	1.08Å	1.08Å
CAE	HAE	sing	1.08Å	1.08Å
CAF	HAF	sing	1.08Å	1.08Å
CAG	HAG	sing	1.09Å	1.10Å
CAG	HAGA	sing	1.09Å	1.10Å
CAH	HAH	sing	1.09Å	1.10Å
CAH	HAHA	sing	1.09Å	1.10Å
CAI	HAI	sing	1.09Å	1.10Å
CAI	HAIA	sing	1.09Å	1.10Å
CAJ	HAJ	sing	1.09Å	1.10Å
CAJ	HAJA	sing	1.09Å	1.10Å
NAK	HNAK	sing	1.01Å	1.00Å
NAL	HNAL	sing	0.97Å	1.00Å
CAQ	HAQ	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OAA	CAM	OAB	122.8°	120.0°
OAA	CAM	CAP	123.6°	120.1°
OAB	CAM	CAP	113.6°	120.0°
BRAC	CAN	CAD	127.8°	119.8°
BRAC	CAN	CAF	111.3°	119.8°
CAE	CAD	CAN	121.5°	120.4°
CAD	CAE	CAO	119.2°	120.1°
CAE	CAD	HAD	119.3°	119.8°
CAD	CAE	HAE	120.4°	119.9°
CAD	CAN	CAF	120.8°	120.3°
CAN	CAD	HAD	119.3°	119.8°
CAE	CAO	NAL	117.6°	120.1°
CAE	CAO	CAP	119.4°	119.7°
CAO	CAE	HAE	120.4°	120.0°
CAN	CAF	CAP	118.6°	120.0°
CAN	CAF	HAF	120.7°	120.0°
CAF	CAP	CAM	118.6°	120.2°
CAF	CAP	CAO	120.3°	119.5°
CAP	CAF	HAF	120.7°	120.0°
CAH	CAG	CAI	113.5°	109.3°
CAG	CAH	NAK	110.1°	109.5°
CAH	CAG	HAG	108.2°	109.5°
CAH	CAG	HAGA	108.1°	109.5°
CAG	CAH	HAH	109.3°	109.5°
CAG	CAH	HAHA	109.2°	109.5°
CAG	CAI	CAQ	112.4°	109.1°
CAI	CAG	HAG	108.2°	109.5°
CAI	CAG	HAGA	108.2°	109.5°
CAG	CAI	HAI	108.5°	109.5°
CAG	CAI	HAIA	108.5°	109.5°
CAH	NAK	CAJ	106.1°	111.2°
NAK	CAH	HAH	109.2°	109.5°
NAK	CAH	HAHA	109.3°	109.4°
CAH	NAK	HNAK	110.6°	111.0°
CAI	CAQ	CAJ	105.2°	109.3°
CAI	CAQ	NAL	108.6°	109.5°
CAQ	CAI	HAI	108.5°	109.5°
CAQ	CAI	HAIA	108.5°	109.5°
CAI	CAQ	HAQ	112.9°	109.5°
NAK	CAJ	CAQ	115.0°	109.6°
NAK	CAJ	HAJ	107.7°	109.5°
NAK	CAJ	HAJA	107.7°	109.5°
CAJ	NAK	HNAK	110.6°	111.0°
CAJ	CAQ	NAL	109.9°	109.5°
CAQ	CAJ	HAJ	107.7°	109.5°
CAQ	CAJ	HAJA	107.7°	109.4°
CAJ	CAQ	HAQ	111.7°	109.5°
CAO	NAL	CAQ	123.4°	120.0°
NAL	CAO	CAP	123.0°	120.2°
CAO	NAL	HNAL	105.1°	119.9°
CAQ	NAL	HNAL	105.1°	120.0°
NAL	CAQ	HAQ	108.5°	109.5°
CAM	CAP	CAO	121.1°	120.3°
HAG	CAG	HAGA	110.8°	109.5°
HAH	CAH	HAHA	109.7°	109.5°
HAI	CAI	HAIA	110.4°	109.6°
HAJ	CAJ	HAJA	111.2°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OAA	CAM	OAB	CAP	178.7°	180.0°
OAA	CAM	CAP	CAF	28.3°	6.1°
OAA	CAM	CAP	CAO	149.0°	173.9°
OAB	CAM	CAP	CAF	153.0°	173.9°
OAB	CAM	CAP	CAO	29.7°	6.1°
BRAC	CAN	CAD	CAE	176.2°	180.0°
BRAC	CAN	CAD	CAF	175.8°	180.0°
BRAC	CAN	CAF	CAP	179.7°	180.0°
BRAC	CAN	CAD	HAD	3.8°	0.3°
BRAC	CAN	CAF	HAF	0.3°	0.1°
CAE	CAD	CAN	HAD	180.0°	179.7°
CAD	CAE	CAO	HAE	180.0°	179.9°
CAE	CAD	CAN	CAF	0.4°	0.1°
CAD	CAE	CAO	NAL	178.1°	180.0°
CAD	CAE	CAO	CAP	0.8°	0.0°
CAN	CAD	CAE	CAO	0.8°	0.0°
CAD	CAN	CAF	CAP	3.3°	0.0°
CAN	CAD	CAE	HAE	179.2°	180.0°
CAD	CAN	CAF	HAF	176.8°	180.0°
CAE	CAO	CAP	CAF	3.7°	0.0°
CAE	CAO	NAL	CAP	177.2°	180.0°
CAE	CAO	NAL	CAQ	2.0°	5.5°
CAE	CAO	CAP	CAM	179.1°	180.0°
CAO	CAE	CAD	HAD	179.1°	179.7°
CAE	CAO	NAL	HNAL	118.1°	174.6°
CAN	CAF	CAP	HAF	180.0°	179.9°
CAN	CAF	CAP	CAM	177.8°	180.0°
CAN	CAF	CAP	CAO	4.9°	0.0°
CAF	CAN	CAD	HAD	179.6°	179.7°
CAF	CAP	CAO	NAL	179.2°	180.0°
CAF	CAP	CAM	CAO	177.3°	180.0°
CAH	CAG	CAI	HAG	120.0°	119.9°
CAH	CAG	CAI	HAGA	120.0°	120.0°
CAG	CAH	NAK	HAH	120.0°	120.0°
CAG	CAH	NAK	HAHA	120.0°	120.0°
CAH	CAG	CAI	CAQ	47.7°	57.7°
CAG	CAH	NAK	CAJ	59.9°	61.7°
CAH	CAG	HAG	HAGA	118.3°	120.1°
CAG	CAH	HAH	HAHA	119.7°	120.0°
CAH	CAG	CAI	HAI	72.3°	62.2°
CAH	CAG	CAI	HAIA	167.7°	177.6°
CAG	CAH	NAK	HNAK	60.1°	62.4°
CAI	CAG	CAH	NAK	52.6°	59.2°
CAG	CAI	CAQ	HAI	120.0°	119.9°
CAG	CAI	CAQ	HAIA	120.0°	119.9°
CAG	CAI	CAQ	CAJ	49.0°	57.6°
CAG	CAI	CAQ	NAL	166.6°	177.6°
CAI	CAG	HAG	HAGA	118.4°	120.1°
CAI	CAG	CAH	HAH	172.6°	179.2°
CAI	CAG	CAH	HAHA	67.4°	60.8°
CAG	CAI	HAI	HAIA	118.8°	120.2°
CAG	CAI	CAQ	HAQ	73.1°	62.3°
CAH	NAK	CAJ	HNAK	120.0°	124.1°
CAH	NAK	CAJ	CAQ	69.9°	61.7°
NAK	CAH	CAG	HAG	172.6°	179.1°
NAK	CAH	CAG	HAGA	67.4°	60.8°
NAK	CAH	HAH	HAHA	119.7°	120.0°
CAH	NAK	CAJ	HAJ	170.1°	178.2°
CAH	NAK	CAJ	HAJA	50.2°	58.3°
CAI	CAQ	CAJ	NAK	62.9°	59.2°
CAI	CAQ	CAJ	NAL	116.7°	119.9°
CAI	CAQ	CAJ	HAQ	122.8°	119.9°
CAI	CAQ	NAL	CAO	141.8°	155.0°
CAI	CAQ	NAL	HAQ	123.1°	120.1°
CAQ	CAI	CAG	HAG	167.7°	177.6°
CAQ	CAI	CAG	HAGA	72.3°	62.3°
CAQ	CAI	HAI	HAIA	118.8°	120.2°
CAI	CAQ	CAJ	HAJ	177.1°	179.2°
CAI	CAQ	CAJ	HAJA	57.1°	60.8°
CAI	CAQ	NAL	HNAL	21.8°	25.1°
NAK	CAJ	CAQ	HAJ	120.0°	120.1°
NAK	CAJ	CAQ	HAJA	120.0°	120.0°
NAK	CAJ	CAQ	NAL	179.7°	179.1°
CAJ	NAK	CAH	HAH	179.9°	178.3°
CAJ	NAK	CAH	HAHA	60.1°	58.3°
NAK	CAJ	HAJ	HAJA	117.7°	120.0°
NAK	CAJ	CAQ	HAQ	59.9°	60.7°
CAJ	CAQ	NAL	CAO	103.6°	85.2°
CAJ	CAQ	NAL	HAQ	122.4°	120.1°
CAJ	CAQ	CAI	HAI	71.0°	62.3°
CAJ	CAQ	CAI	HAIA	169.0°	177.6°
CAQ	CAJ	HAJ	HAJA	117.7°	119.9°
CAQ	CAJ	NAK	HNAK	50.1°	62.3°
CAJ	CAQ	NAL	HNAL	136.4°	94.7°
CAO	NAL	CAQ	HNAL	120.0°	179.9°
NAL	CAO	CAP	CAM	1.9°	0.0°
NAL	CAO	CAE	HAE	1.9°	0.0°
CAO	NAL	CAQ	HAQ	18.7°	34.9°
CAQ	NAL	CAO	CAP	179.2°	174.5°
NAL	CAQ	CAI	HAI	46.6°	57.7°
NAL	CAQ	CAI	HAIA	73.4°	62.5°
NAL	CAQ	CAJ	HAJ	60.3°	60.8°
NAL	CAQ	CAJ	HAJA	59.7°	59.1°
CAM	CAP	CAF	HAF	2.1°	0.1°
CAP	CAO	CAE	HAE	179.2°	180.0°
CAO	CAP	CAF	HAF	175.2°	179.9°
CAP	CAO	NAL	HNAL	59.1°	5.4°
HAD	CAD	CAE	HAE	0.9°	0.3°
HAG	CAG	CAH	HAH	67.4°	60.9°
HAG	CAG	CAH	HAHA	52.6°	59.1°
HAG	CAG	CAI	HAI	47.7°	57.7°
HAG	CAG	CAI	HAIA	72.3°	62.5°
HAGA	CAG	CAH	HAH	52.6°	59.2°
HAGA	CAG	CAH	HAHA	172.6°	179.2°
HAGA	CAG	CAI	HAI	167.7°	177.8°
HAGA	CAG	CAI	HAIA	47.7°	57.6°
HAH	CAH	NAK	HNAK	59.9°	57.7°
HAHA	CAH	NAK	HNAK	179.9°	177.6°
HAI	CAI	CAQ	HAQ	166.9°	177.8°
HAIA	CAI	CAQ	HAQ	46.9°	57.6°
HAJ	CAJ	NAK	HNAK	69.9°	57.7°
HAJ	CAJ	CAQ	HAQ	60.1°	59.3°
HAJA	CAJ	NAK	HNAK	170.2°	177.6°
HAJA	CAJ	CAQ	HAQ	179.9°	179.2°
HNAL	NAL	CAQ	HAQ	101.3°	145.1°

Definition date:	2009-09-16
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3JUN