EI1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAA	CAK	sing	1.53Å	1.50Å
CAA	HAA1	sing	1.09Å	1.10Å
CAA	HAA2	sing	1.09Å	1.10Å
CAA	HAA3	sing	1.09Å	1.10Å
CAK	CAP	sing	1.51Å	1.53Å
CAK	HAK1	sing	1.09Å	1.10Å
CAK	HAK2	sing	1.09Å	1.10Å
CAP	NAS	sing	1.34Å	1.35Å	Aromatic
CAP	CAR	doub	1.38Å	1.39Å	Aromatic
CAR	CAQ	sing	1.47Å	1.39Å	Aromatic
CAR	CAJ	sing	1.41Å	1.41Å	Aromatic
CAJ	CAN	doub	1.36Å	1.40Å	Aromatic
CAJ	HAJ	sing	1.08Å	1.08Å
CAN	CAH	sing	1.40Å	1.40Å	Aromatic
CAN	OAC	sing	1.36Å	1.36Å
OAC	HOAC	sing	0.97Å	0.95Å
CAH	CAI	doub	1.36Å	1.40Å	Aromatic
CAH	HAH	sing	1.08Å	1.08Å
CAI	CAQ	sing	1.41Å	1.39Å	Aromatic
CAI	HAI	sing	1.08Å	1.08Å
CAQ	NAL	doub	1.32Å	1.35Å	Aromatic
NAL	NAS	sing	1.40Å	1.25Å	Aromatic
NAS	CAO	sing	1.40Å	1.36Å	Aromatic
CAO	CAF	doub	1.39Å	1.39Å	Aromatic
CAO	CAG	sing	1.39Å	1.39Å	Aromatic
CAF	CAD	sing	1.38Å	1.40Å	Aromatic
CAF	HAF	sing	1.08Å	1.08Å
CAD	CAM	doub	1.39Å	1.39Å	Aromatic
CAD	HAD	sing	1.08Å	1.08Å
CAM	OAB	sing	1.36Å	1.23Å
CAM	CAE	sing	1.39Å	1.40Å	Aromatic
OAB	HOAB	sing	0.97Å	0.95Å
CAE	CAG	doub	1.38Å	1.40Å	Aromatic
CAE	HAE	sing	1.08Å	1.08Å
CAG	HAG	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAK	CAA	HAA1	109.5°	109.4°
CAK	CAA	HAA2	109.5°	109.5°
CAK	CAA	HAA3	109.5°	109.5°
CAA	CAK	CAP	109.0°	109.5°
CAA	CAK	HAK1	109.6°	109.4°
CAA	CAK	HAK2	109.8°	109.4°
HAA1	CAA	HAA2	109.5°	109.5°
HAA1	CAA	HAA3	109.5°	109.5°
HAA2	CAA	HAA3	109.5°	109.4°
CAP	CAK	HAK1	109.6°	109.5°
CAP	CAK	HAK2	109.7°	109.5°
CAK	CAP	NAS	127.8°	126.0°
CAK	CAP	CAR	124.9°	126.1°
HAK1	CAK	HAK2	109.1°	109.4°
NAS	CAP	CAR	107.3°	107.9°
CAP	NAS	NAL	110.8°	109.9°
CAP	NAS	CAO	124.7°	125.1°
CAP	CAR	CAQ	104.2°	106.5°
CAP	CAR	CAJ	134.5°	134.7°
CAQ	CAR	CAJ	121.3°	118.8°
CAR	CAQ	CAI	119.1°	118.6°
CAR	CAQ	NAL	107.4°	106.8°
CAR	CAJ	CAN	119.2°	119.5°
CAR	CAJ	HAJ	120.4°	120.2°
CAN	CAJ	HAJ	120.3°	120.3°
CAJ	CAN	CAH	119.6°	121.6°
CAJ	CAN	OAC	120.8°	119.2°
CAH	CAN	OAC	119.6°	119.2°
CAN	CAH	CAI	120.5°	121.8°
CAN	CAH	HAH	119.7°	119.1°
CAN	OAC	HOAC	109.5°	114.0°
CAI	CAH	HAH	119.7°	119.1°
CAH	CAI	CAQ	120.3°	119.7°
CAH	CAI	HAI	119.9°	120.2°
CAQ	CAI	HAI	119.8°	120.1°
CAI	CAQ	NAL	133.5°	134.6°
CAQ	NAL	NAS	110.4°	108.9°
NAL	NAS	CAO	124.5°	125.0°
NAS	CAO	CAF	122.0°	120.0°
NAS	CAO	CAG	119.9°	120.0°
CAF	CAO	CAG	118.0°	120.0°
CAO	CAF	CAD	122.0°	120.0°
CAO	CAF	HAF	119.0°	120.0°
CAO	CAG	CAE	120.8°	120.0°
CAO	CAG	HAG	119.6°	120.0°
CAD	CAF	HAF	119.0°	120.1°
CAF	CAD	CAM	119.3°	120.0°
CAF	CAD	HAD	120.4°	120.0°
CAM	CAD	HAD	120.3°	120.0°
CAD	CAM	OAB	120.5°	120.0°
CAD	CAM	CAE	119.2°	120.0°
OAB	CAM	CAE	120.2°	120.0°
CAM	OAB	HOAB	109.5°	114.0°
CAM	CAE	CAG	120.7°	120.0°
CAM	CAE	HAE	119.7°	120.0°
CAG	CAE	HAE	119.7°	120.1°
CAE	CAG	HAG	119.6°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAK	CAA	HAA1	HAA2	120.0°	120.0°
CAK	CAA	HAA1	HAA3	120.0°	120.0°
CAK	CAA	HAA2	HAA3	120.0°	120.0°
CAA	CAK	CAP	HAK1	120.0°	120.0°
CAA	CAK	CAP	HAK2	120.2°	120.0°
CAA	CAK	HAK1	HAK2	120.2°	119.9°
CAA	CAK	CAP	NAS	93.9°	84.7°
CAA	CAK	CAP	CAR	86.4°	95.6°
HAA1	CAA	HAA2	HAA3	120.0°	120.1°
HAA1	CAA	CAK	CAP	40.1°	60.4°
HAA1	CAA	CAK	HAK1	160.1°	179.6°
HAA1	CAA	CAK	HAK2	80.1°	59.7°
HAA2	CAA	CAK	CAP	160.1°	179.6°
HAA2	CAA	CAK	HAK1	79.9°	59.6°
HAA2	CAA	CAK	HAK2	39.9°	60.3°
HAA3	CAA	CAK	CAP	79.9°	59.6°
HAA3	CAA	CAK	HAK1	40.1°	60.4°
HAA3	CAA	CAK	HAK2	159.9°	179.7°
CAP	CAK	HAK1	HAK2	120.2°	120.0°
CAK	CAP	NAS	CAR	179.7°	179.8°
CAK	CAP	CAR	CAQ	179.6°	180.0°
CAK	CAP	CAR	CAJ	0.1°	0.1°
CAK	CAP	NAS	NAL	179.9°	179.8°
CAK	CAP	NAS	CAO	1.4°	0.1°
HAK1	CAK	CAP	NAS	26.1°	155.3°
HAK1	CAK	CAP	CAR	153.6°	24.4°
HAK2	CAK	CAP	NAS	145.8°	35.3°
HAK2	CAK	CAP	CAR	33.8°	144.4°
NAS	CAP	CAR	CAQ	0.1°	0.3°
NAS	CAP	CAR	CAJ	179.6°	179.8°
CAP	NAS	NAL	CAQ	0.7°	0.4°
CAP	NAS	NAL	CAO	178.5°	179.9°
CAP	NAS	CAO	CAF	41.6°	135.3°
CAP	NAS	CAO	CAG	136.2°	44.9°
CAP	CAR	CAQ	CAJ	179.6°	179.9°
CAP	CAR	CAJ	CAN	179.5°	180.0°
CAP	CAR	CAJ	HAJ	0.5°	0.1°
CAP	CAR	CAQ	CAI	179.8°	179.9°
CAP	CAR	CAQ	NAL	0.5°	0.0°
CAR	CAP	NAS	NAL	0.4°	0.4°
CAR	CAP	NAS	CAO	178.9°	179.7°
CAQ	CAR	CAJ	CAN	0.1°	0.1°
CAQ	CAR	CAJ	HAJ	179.9°	180.0°
CAR	CAQ	CAI	CAH	0.3°	0.1°
CAR	CAQ	CAI	NAL	179.5°	180.0°
CAR	CAQ	CAI	HAI	179.7°	180.0°
CAR	CAQ	NAL	NAS	0.8°	0.2°
CAR	CAJ	CAN	HAJ	180.0°	179.9°
CAR	CAJ	CAN	CAH	0.0°	0.1°
CAR	CAJ	CAN	OAC	179.5°	180.0°
CAJ	CAR	CAQ	CAI	0.3°	0.0°
CAJ	CAR	CAQ	NAL	179.9°	180.0°
CAJ	CAN	CAH	OAC	179.5°	180.0°
CAJ	CAN	OAC	HOAC	52.6°	90.0°
CAJ	CAN	CAH	CAI	0.1°	0.0°
CAJ	CAN	CAH	HAH	179.9°	179.9°
HAJ	CAJ	CAN	CAH	180.0°	180.0°
HAJ	CAJ	CAN	OAC	0.5°	0.1°
CAH	CAN	OAC	HOAC	126.9°	90.0°
CAN	CAH	CAI	HAH	180.0°	179.9°
CAN	CAH	CAI	CAQ	0.2°	0.1°
CAN	CAH	CAI	HAI	179.8°	180.0°
OAC	CAN	CAH	CAI	179.6°	180.0°
OAC	CAN	CAH	HAH	0.5°	0.0°
CAH	CAI	CAQ	HAI	180.0°	180.0°
CAH	CAI	CAQ	NAL	179.9°	180.0°
HAH	CAH	CAI	CAQ	179.8°	180.0°
HAH	CAH	CAI	HAI	0.2°	0.0°
CAI	CAQ	NAL	NAS	179.6°	179.8°
HAI	CAI	CAQ	NAL	0.1°	0.0°
CAQ	NAL	NAS	CAO	179.3°	179.7°
NAL	NAS	CAO	CAF	140.0°	44.6°
NAL	NAS	CAO	CAG	42.1°	135.2°
NAS	CAO	CAF	CAG	177.9°	179.8°
NAS	CAO	CAF	CAD	178.0°	179.9°
NAS	CAO	CAF	HAF	2.0°	0.0°
NAS	CAO	CAG	CAE	179.1°	179.7°
NAS	CAO	CAG	HAG	1.0°	0.1°
CAO	CAF	CAD	HAF	180.0°	179.9°
CAO	CAF	CAD	CAM	1.4°	0.0°
CAO	CAF	CAD	HAD	178.6°	180.0°
CAF	CAO	CAG	CAE	1.1°	0.5°
CAF	CAO	CAG	HAG	178.9°	179.7°
CAG	CAO	CAF	CAD	0.1°	0.3°
CAG	CAO	CAF	HAF	179.9°	179.8°
CAO	CAG	CAE	CAM	0.7°	0.5°
CAO	CAG	CAE	HAG	180.0°	179.8°
CAO	CAG	CAE	HAE	179.3°	179.8°
CAF	CAD	CAM	HAD	180.0°	179.9°
CAF	CAD	CAM	OAB	179.1°	180.0°
CAF	CAD	CAM	CAE	1.8°	0.0°
HAF	CAF	CAD	CAM	178.6°	180.0°
HAF	CAF	CAD	HAD	1.4°	0.1°
CAD	CAM	OAB	CAE	179.2°	180.0°
CAD	CAM	OAB	HOAB	167.1°	90.0°
CAD	CAM	CAE	CAG	0.7°	0.3°
CAD	CAM	CAE	HAE	179.2°	180.0°
HAD	CAD	CAM	OAB	0.9°	0.0°
HAD	CAD	CAM	CAE	178.2°	180.0°
OAB	CAM	CAE	CAG	179.9°	179.7°
OAB	CAM	CAE	HAE	0.1°	0.0°
CAE	CAM	OAB	HOAB	12.0°	90.0°
CAM	CAE	CAG	HAE	180.0°	179.7°
CAM	CAE	CAG	HAG	179.3°	179.7°
HAE	CAE	CAG	HAG	0.7°	0.0°

Definition date:	2007-06-28
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB