05T

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAB	CAA	sing	1.53Å	1.52Å
CAA	CAJ	sing	1.53Å	1.52Å
CAA	HAA	sing	1.09Å	1.10Å
CAA	HAAA	sing	1.09Å	1.10Å
NAC	CAB	sing	1.46Å	1.49Å
CAB	CAG	sing	1.53Å	1.51Å
CAB	HAB	sing	1.09Å	1.10Å
CAD	NAC	sing	1.37Å	1.37Å
NAC	HNAC	sing	0.97Å	1.00Å
NAF	CAD	doub	1.30Å	1.34Å
CAD	NAE	sing	1.37Å	1.35Å
NAE	HNAE	sing	0.97Å	1.00Å
NAE	HNAA	sing	0.97Å	1.00Å
NAF	HNAF	sing	0.97Å	1.00Å
CAG	CAH	sing	1.53Å	1.54Å
CAG	HAG	sing	1.09Å	1.10Å
CAG	HAGA	sing	1.09Å	1.10Å
CAH	CAI	sing	1.53Å	1.49Å
CAH	HAH	sing	1.09Å	1.10Å
CAH	HAHA	sing	1.09Å	1.10Å
CAJ	CAI	sing	1.53Å	1.49Å
CAI	CAK	sing	1.53Å	1.51Å
CAI	HAI	sing	1.09Å	1.10Å
CAJ	HAJ	sing	1.09Å	1.10Å
CAJ	HAJA	sing	1.09Å	1.10Å
CAK	NAL	sing	1.47Å	1.46Å
CAK	HAK	sing	1.09Å	1.10Å
CAK	HAKA	sing	1.09Å	1.10Å
NAL	HNAL	sing	1.01Å	1.00Å
NAL	H2	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAB	CAA	CAJ	108.5°	109.5°
CAB	CAA	HAA	109.7°	109.5°
CAB	CAA	HAAA	109.7°	109.5°
CAA	CAB	NAC	114.6°	109.5°
CAA	CAB	CAG	109.3°	109.4°
CAA	CAB	HAB	106.7°	109.5°
CAJ	CAA	HAA	109.7°	109.5°
CAJ	CAA	HAAA	109.7°	109.5°
CAA	CAJ	CAI	107.9°	109.5°
CAA	CAJ	HAJ	109.8°	109.5°
CAA	CAJ	HAJA	109.9°	109.5°
HAA	CAA	HAAA	109.5°	109.4°
NAC	CAB	CAG	111.7°	109.5°
NAC	CAB	HAB	107.2°	109.5°
CAB	NAC	CAD	131.4°	120.0°
CAB	NAC	HNAC	114.3°	120.0°
CAG	CAB	HAB	107.0°	109.5°
CAB	CAG	CAH	108.3°	109.5°
CAB	CAG	HAG	109.8°	109.5°
CAB	CAG	HAGA	109.8°	109.5°
CAD	NAC	HNAC	114.3°	120.0°
NAC	CAD	NAF	119.0°	120.1°
NAC	CAD	NAE	122.8°	120.0°
NAF	CAD	NAE	118.2°	120.0°
CAD	NAF	HNAF	112.0°	120.1°
CAD	NAE	HNAE	120.0°	120.0°
CAD	NAE	HNAA	120.0°	120.0°
HNAE	NAE	HNAA	120.0°	120.0°
CAH	CAG	HAG	109.8°	109.5°
CAH	CAG	HAGA	109.8°	109.5°
CAG	CAH	CAI	108.4°	109.4°
CAG	CAH	HAH	109.7°	109.5°
CAG	CAH	HAHA	109.7°	109.5°
HAG	CAG	HAGA	109.5°	109.4°
CAI	CAH	HAH	109.7°	109.5°
CAI	CAH	HAHA	109.7°	109.5°
CAH	CAI	CAJ	109.0°	109.5°
CAH	CAI	CAK	112.7°	109.4°
CAH	CAI	HAI	108.5°	109.5°
HAH	CAH	HAHA	109.5°	109.5°
CAJ	CAI	CAK	109.7°	109.5°
CAJ	CAI	HAI	108.5°	109.5°
CAI	CAJ	HAJ	109.9°	109.5°
CAI	CAJ	HAJA	109.9°	109.4°
CAK	CAI	HAI	108.3°	109.5°
CAI	CAK	NAL	98.7°	109.4°
CAI	CAK	HAK	112.1°	109.5°
CAI	CAK	HAKA	112.1°	109.4°
HAJ	CAJ	HAJA	109.5°	109.4°
NAL	CAK	HAK	112.1°	109.5°
NAL	CAK	HAKA	112.1°	109.4°
CAK	NAL	HNAL	109.5°	111.0°
CAK	NAL	H2	109.5°	111.0°
HAK	CAK	HAKA	109.5°	109.5°
HNAL	NAL	H2	109.5°	110.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAB	CAA	CAJ	HAA	119.8°	120.1°
CAB	CAA	CAJ	HAAA	119.8°	120.0°
CAB	CAA	HAA	HAAA	120.5°	120.0°
CAA	CAB	NAC	CAG	124.9°	120.0°
CAA	CAB	NAC	HAB	118.2°	120.0°
CAA	CAB	CAG	HAB	115.2°	120.0°
CAA	CAB	NAC	CAD	8.4°	155.0°
CAA	CAB	NAC	HNAC	171.6°	25.0°
CAA	CAB	CAG	CAH	60.2°	60.0°
CAA	CAB	CAG	HAG	180.0°	180.0°
CAA	CAB	CAG	HAGA	59.6°	60.0°
CAB	CAA	CAJ	CAI	62.4°	60.0°
CAB	CAA	CAJ	HAJ	177.8°	180.0°
CAB	CAA	CAJ	HAJA	57.3°	60.0°
CAJ	CAA	HAA	HAAA	120.5°	120.0°
CAJ	CAA	CAB	NAC	172.5°	180.0°
CAJ	CAA	CAB	CAG	61.4°	60.0°
CAJ	CAA	CAB	HAB	54.0°	60.0°
CAA	CAJ	CAI	CAH	64.2°	60.0°
CAA	CAJ	CAI	HAJ	119.7°	120.1°
CAA	CAJ	CAI	HAJA	119.8°	120.0°
CAA	CAJ	CAI	CAK	171.9°	180.0°
CAA	CAJ	CAI	HAI	53.7°	60.0°
CAA	CAJ	HAJ	HAJA	120.7°	120.0°
HAA	CAA	CAB	NAC	67.7°	60.0°
HAA	CAA	CAB	CAG	58.5°	60.1°
HAA	CAA	CAB	HAB	173.8°	180.0°
HAA	CAA	CAJ	CAI	57.4°	60.1°
HAA	CAA	CAJ	HAJ	62.3°	60.0°
HAA	CAA	CAJ	HAJA	177.2°	179.9°
HAAA	CAA	CAB	NAC	52.6°	60.0°
HAAA	CAA	CAB	CAG	178.8°	180.0°
HAAA	CAA	CAB	HAB	65.9°	60.0°
HAAA	CAA	CAJ	CAI	177.7°	180.0°
HAAA	CAA	CAJ	HAJ	58.0°	60.0°
HAAA	CAA	CAJ	HAJA	62.5°	60.0°
NAC	CAB	CAG	HAB	117.0°	120.0°
CAB	NAC	CAD	HNAC	180.0°	179.9°
CAB	NAC	CAD	NAF	175.1°	0.1°
CAB	NAC	CAD	NAE	4.7°	180.0°
NAC	CAB	CAG	CAH	172.0°	180.0°
NAC	CAB	CAG	HAG	52.2°	60.0°
NAC	CAB	CAG	HAGA	68.2°	60.0°
CAG	CAB	NAC	CAD	116.5°	85.0°
CAG	CAB	NAC	HNAC	63.5°	95.0°
CAB	CAG	CAH	HAG	119.8°	120.1°
CAB	CAG	CAH	HAGA	119.8°	120.0°
CAB	CAG	HAG	HAGA	120.6°	120.0°
CAB	CAG	CAH	CAI	61.1°	60.0°
CAB	CAG	CAH	HAH	58.8°	60.0°
CAB	CAG	CAH	HAHA	179.1°	180.0°
HAB	CAB	NAC	CAD	126.7°	35.1°
HAB	CAB	NAC	HNAC	53.3°	145.0°
HAB	CAB	CAG	CAH	55.0°	60.0°
HAB	CAB	CAG	HAG	64.8°	60.0°
HAB	CAB	CAG	HAGA	174.8°	180.0°
NAC	CAD	NAF	NAE	179.8°	180.0°
NAC	CAD	NAE	HNAE	179.8°	0.0°
NAC	CAD	NAE	HNAA	0.2°	179.9°
NAC	CAD	NAF	HNAF	179.8°	180.0°
HNAC	NAC	CAD	NAF	4.9°	180.0°
HNAC	NAC	CAD	NAE	175.3°	0.1°
NAF	CAD	NAE	HNAE	0.0°	180.0°
NAF	CAD	NAE	HNAA	180.0°	0.1°
CAD	NAE	HNAE	HNAA	180.0°	179.9°
NAE	CAD	NAF	HNAF	0.0°	0.0°
CAH	CAG	HAG	HAGA	120.6°	119.9°
CAG	CAH	CAI	HAH	119.8°	120.0°
CAG	CAH	CAI	HAHA	119.8°	120.0°
CAG	CAH	HAH	HAHA	120.5°	120.0°
CAG	CAH	CAI	CAJ	63.5°	60.0°
CAG	CAH	CAI	CAK	174.4°	180.0°
CAG	CAH	CAI	HAI	54.5°	60.0°
HAG	CAG	CAH	CAI	179.1°	180.0°
HAG	CAG	CAH	HAH	61.1°	60.1°
HAG	CAG	CAH	HAHA	59.3°	59.9°
HAGA	CAG	CAH	CAI	58.7°	60.0°
HAGA	CAG	CAH	HAH	178.6°	NaN°
HAGA	CAG	CAH	HAHA	61.1°	60.0°
CAI	CAH	HAH	HAHA	120.5°	120.0°
CAH	CAI	CAJ	CAK	123.9°	120.0°
CAH	CAI	CAJ	HAI	118.0°	120.0°
CAH	CAI	CAK	HAI	120.0°	120.0°
CAH	CAI	CAJ	HAJ	176.0°	179.9°
CAH	CAI	CAJ	HAJA	55.5°	60.1°
CAH	CAI	CAK	NAL	131.3°	175.0°
CAH	CAI	CAK	HAK	110.5°	65.0°
CAH	CAI	CAK	HAKA	13.1°	55.0°
HAH	CAH	CAI	CAJ	56.3°	60.0°
HAH	CAH	CAI	CAK	65.7°	60.0°
HAH	CAH	CAI	HAI	174.3°	180.0°
HAHA	CAH	CAI	CAJ	176.7°	180.0°
HAHA	CAH	CAI	CAK	54.6°	60.0°
HAHA	CAH	CAI	HAI	65.3°	60.0°
CAJ	CAI	CAK	HAI	118.3°	120.0°
CAI	CAJ	HAJ	HAJA	120.7°	119.9°
CAJ	CAI	CAK	NAL	107.0°	65.0°
CAJ	CAI	CAK	HAK	11.2°	55.0°
CAJ	CAI	CAK	HAKA	134.8°	175.0°
CAK	CAI	CAJ	HAJ	52.2°	59.9°
CAK	CAI	CAJ	HAJA	68.4°	59.9°
CAI	CAK	NAL	HAK	118.2°	120.0°
CAI	CAK	NAL	HAKA	118.2°	119.9°
CAI	CAK	HAK	HAKA	125.1°	120.0°
CAI	CAK	NAL	HNAL	180.0°	56.1°
CAI	CAK	NAL	H2	60.0°	180.0°
HAI	CAI	CAJ	HAJ	66.0°	60.1°
HAI	CAI	CAJ	HAJA	173.5°	179.9°
HAI	CAI	CAK	NAL	11.3°	55.0°
HAI	CAI	CAK	HAK	129.5°	175.0°
HAI	CAI	CAK	HAKA	106.9°	64.9°
NAL	CAK	HAK	HAKA	125.0°	120.0°
CAK	NAL	HNAL	H2	120.0°	123.9°
HAK	CAK	NAL	HNAL	61.8°	63.9°
HAK	CAK	NAL	H2	178.2°	60.0°
HAKA	CAK	NAL	HNAL	61.8°	176.0°
HAKA	CAK	NAL	H2	58.2°	60.1°

Release date:	2013-03-27
Definition date:	2012-10-26
Last modified:	2014-09-05
Release status:	REL
Processing site:	EBI
Derived from:	2YOL