IFB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OAP	CAQ	doub	1.21Å	1.21Å
CAQ	CAN	sing	1.51Å	1.52Å
CAQ	OAB	sing	1.34Å	1.26Å
OAB	HOAB	sing	0.97Å	0.95Å
CAN	CAM	sing	1.53Å	1.58Å
CAN	HAN1	sing	1.09Å	1.10Å
CAN	HAN2	sing	1.09Å	1.10Å
CAM	NAO	sing	1.47Å	1.53Å
CAM	HAM1	sing	1.09Å	1.10Å
CAM	HAM2	sing	1.09Å	1.10Å
NAO	CAR	sing	1.35Å	1.28Å
NAO	HNAO	sing	0.97Å	1.00Å
CAR	CAX	sing	1.48Å	1.56Å
CAR	OAC	doub	1.22Å	1.27Å
CAX	CAL	sing	1.39Å	1.39Å	Aromatic
CAX	CAV	doub	1.40Å	1.45Å	Aromatic
CAL	CAW	doub	1.39Å	1.39Å	Aromatic
CAL	HAL	sing	1.08Å	1.08Å
CAV	CAU	sing	1.39Å	1.42Å	Aromatic
CAV	OAD	sing	1.36Å	1.32Å
OAD	HOAD	sing	0.97Å	0.95Å
CAU	CAK	doub	1.38Å	1.40Å	Aromatic
CAU	IAG	sing	2.09Å	2.19Å
CAK	CAW	sing	1.40Å	1.42Å	Aromatic
CAK	HAK	sing	1.08Å	1.08Å
CAW	CAY	sing	1.48Å	1.43Å	Aromatic
CAY	CAT	doub	1.39Å	1.45Å	Aromatic
CAY	CAI	sing	1.39Å	1.44Å	Aromatic
CAT	CAJ	sing	1.38Å	1.37Å	Aromatic
CAT	FAF	sing	1.35Å	1.31Å
CAI	CAH	doub	1.38Å	1.39Å	Aromatic
CAI	HAI	sing	1.08Å	1.08Å
CAH	CAS	sing	1.39Å	1.43Å	Aromatic
CAH	HAH	sing	1.08Å	1.08Å
CAS	FAE	sing	1.35Å	1.35Å
CAS	CAJ	doub	1.38Å	1.41Å	Aromatic
CAJ	HAJ	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OAP	CAQ	CAN	118.0°	120.0°
OAP	CAQ	OAB	121.6°	120.0°
CAN	CAQ	OAB	120.3°	120.0°
CAQ	CAN	CAM	112.7°	109.4°
CAQ	CAN	HAN1	108.4°	109.5°
CAQ	CAN	HAN2	107.7°	109.5°
CAQ	OAB	HOAB	109.5°	117.0°
CAM	CAN	HAN1	108.4°	109.5°
CAM	CAN	HAN2	107.7°	109.5°
CAN	CAM	NAO	108.7°	109.4°
CAN	CAM	HAM1	109.7°	109.5°
CAN	CAM	HAM2	109.9°	109.5°
HAN1	CAN	HAN2	112.1°	109.5°
NAO	CAM	HAM1	109.7°	109.4°
NAO	CAM	HAM2	109.9°	109.5°
CAM	NAO	CAR	127.4°	120.0°
CAM	NAO	HNAO	116.3°	120.0°
HAM1	CAM	HAM2	108.9°	109.5°
CAR	NAO	HNAO	116.3°	120.0°
NAO	CAR	CAX	117.1°	120.0°
NAO	CAR	OAC	120.7°	120.0°
CAX	CAR	OAC	122.1°	120.0°
CAR	CAX	CAL	120.9°	120.1°
CAR	CAX	CAV	120.5°	120.1°
CAL	CAX	CAV	118.6°	119.8°
CAX	CAL	CAW	122.4°	119.8°
CAX	CAL	HAL	118.8°	120.2°
CAX	CAV	CAU	121.0°	119.9°
CAX	CAV	OAD	121.0°	120.0°
CAW	CAL	HAL	118.8°	120.1°
CAL	CAW	CAK	117.7°	120.0°
CAL	CAW	CAY	120.2°	120.0°
CAU	CAV	OAD	118.0°	120.0°
CAV	CAU	CAK	117.0°	120.2°
CAV	CAU	IAG	121.5°	119.9°
CAV	OAD	HOAD	109.5°	114.0°
CAK	CAU	IAG	121.5°	119.9°
CAU	CAK	CAW	123.4°	120.3°
CAU	CAK	HAK	118.3°	119.8°
CAW	CAK	HAK	118.3°	119.9°
CAK	CAW	CAY	122.1°	120.0°
CAW	CAY	CAT	121.8°	120.1°
CAW	CAY	CAI	120.1°	120.1°
CAT	CAY	CAI	118.1°	119.8°
CAY	CAT	CAJ	121.8°	119.9°
CAY	CAT	FAF	122.3°	120.1°
CAY	CAI	CAH	120.3°	119.9°
CAY	CAI	HAI	119.9°	120.0°
CAJ	CAT	FAF	115.8°	120.0°
CAT	CAJ	CAS	118.7°	120.0°
CAT	CAJ	HAJ	120.6°	120.0°
CAH	CAI	HAI	119.8°	120.0°
CAI	CAH	CAS	119.1°	120.2°
CAI	CAH	HAH	120.4°	119.9°
CAS	CAH	HAH	120.4°	119.9°
CAH	CAS	FAE	119.7°	119.9°
CAH	CAS	CAJ	122.0°	120.2°
FAE	CAS	CAJ	118.3°	119.9°
CAS	CAJ	HAJ	120.7°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OAP	CAQ	CAN	OAB	179.7°	179.7°
OAP	CAQ	OAB	HOAB	0.0°	0.0°
OAP	CAQ	CAN	CAM	177.0°	0.0°
OAP	CAQ	CAN	HAN1	57.0°	120.0°
OAP	CAQ	CAN	HAN2	64.4°	120.0°
CAN	CAQ	OAB	HOAB	179.7°	179.7°
CAQ	CAN	CAM	HAN1	120.0°	120.0°
CAQ	CAN	CAM	HAN2	118.6°	120.0°
CAQ	CAN	HAN1	HAN2	118.7°	120.0°
CAQ	CAN	CAM	NAO	70.7°	180.0°
CAQ	CAN	CAM	HAM1	169.3°	60.0°
CAQ	CAN	CAM	HAM2	49.6°	60.0°
OAB	CAQ	CAN	CAM	3.3°	179.7°
OAB	CAQ	CAN	HAN1	123.3°	60.3°
OAB	CAQ	CAN	HAN2	115.3°	59.7°
CAM	CAN	HAN1	HAN2	118.7°	120.0°
CAN	CAM	NAO	HAM1	120.0°	119.9°
CAN	CAM	NAO	HAM2	120.3°	120.1°
CAN	CAM	HAM1	HAM2	120.3°	120.0°
CAN	CAM	NAO	CAR	59.0°	180.0°
CAN	CAM	NAO	HNAO	121.0°	0.1°
HAN1	CAN	CAM	NAO	49.3°	60.1°
HAN1	CAN	CAM	HAM1	70.7°	180.0°
HAN1	CAN	CAM	HAM2	169.6°	60.0°
HAN2	CAN	CAM	NAO	170.7°	60.0°
HAN2	CAN	CAM	HAM1	50.7°	60.0°
HAN2	CAN	CAM	HAM2	68.9°	180.0°
NAO	CAM	HAM1	HAM2	120.3°	120.0°
CAM	NAO	CAR	HNAO	180.0°	180.0°
CAM	NAO	CAR	CAX	178.4°	180.0°
CAM	NAO	CAR	OAC	1.8°	0.0°
HAM1	CAM	NAO	CAR	61.0°	60.0°
HAM1	CAM	NAO	HNAO	119.0°	120.0°
HAM2	CAM	NAO	CAR	179.3°	60.0°
HAM2	CAM	NAO	HNAO	0.7°	120.0°
NAO	CAR	CAX	OAC	176.6°	180.0°
NAO	CAR	CAX	CAL	165.7°	0.0°
NAO	CAR	CAX	CAV	16.0°	179.7°
HNAO	NAO	CAR	CAX	1.6°	0.0°
HNAO	NAO	CAR	OAC	178.2°	179.9°
CAR	CAX	CAL	CAV	178.4°	179.7°
CAR	CAX	CAL	CAW	179.3°	180.0°
CAR	CAX	CAL	HAL	0.7°	0.0°
CAR	CAX	CAV	CAU	179.1°	180.0°
CAR	CAX	CAV	OAD	1.0°	0.0°
OAC	CAR	CAX	CAL	17.8°	180.0°
OAC	CAR	CAX	CAV	160.6°	0.3°
CAX	CAL	CAW	HAL	180.0°	179.9°
CAL	CAX	CAV	CAU	0.7°	0.3°
CAL	CAX	CAV	OAD	179.4°	179.8°
CAX	CAL	CAW	CAK	0.4°	0.1°
CAX	CAL	CAW	CAY	179.4°	180.0°
CAV	CAX	CAL	CAW	0.9°	0.3°
CAV	CAX	CAL	HAL	179.1°	179.8°
CAX	CAV	CAU	OAD	179.9°	179.9°
CAX	CAV	OAD	HOAD	132.8°	90.0°
CAX	CAV	CAU	CAK	0.2°	0.0°
CAX	CAV	CAU	IAG	179.6°	180.0°
CAL	CAW	CAK	CAU	0.2°	0.2°
CAL	CAW	CAK	CAY	179.8°	179.9°
CAL	CAW	CAK	HAK	179.8°	180.0°
CAL	CAW	CAY	CAT	133.4°	130.0°
CAL	CAW	CAY	CAI	46.3°	50.3°
HAL	CAL	CAW	CAK	179.6°	180.0°
HAL	CAL	CAW	CAY	0.6°	0.1°
CAU	CAV	OAD	HOAD	47.3°	90.0°
CAV	CAU	CAK	IAG	179.8°	180.0°
CAV	CAU	CAK	CAW	0.3°	0.2°
CAV	CAU	CAK	HAK	179.7°	180.0°
OAD	CAV	CAU	CAK	180.0°	180.0°
OAD	CAV	CAU	IAG	0.3°	0.0°
CAU	CAK	CAW	HAK	180.0°	179.8°
CAU	CAK	CAW	CAY	180.0°	179.7°
IAG	CAU	CAK	CAW	179.9°	179.8°
IAG	CAU	CAK	HAK	0.1°	0.0°
CAK	CAW	CAY	CAT	46.8°	50.0°
CAK	CAW	CAY	CAI	133.5°	129.7°
HAK	CAK	CAW	CAY	0.0°	0.0°
CAW	CAY	CAT	CAI	179.7°	179.7°
CAW	CAY	CAT	CAJ	179.8°	179.9°
CAW	CAY	CAT	FAF	1.1°	0.0°
CAW	CAY	CAI	CAH	179.6°	180.0°
CAW	CAY	CAI	HAI	0.4°	0.0°
CAY	CAT	CAJ	FAF	178.8°	180.0°
CAT	CAY	CAI	CAH	0.2°	0.2°
CAT	CAY	CAI	HAI	179.8°	179.7°
CAY	CAT	CAJ	CAS	0.6°	0.0°
CAY	CAT	CAJ	HAJ	179.5°	179.9°
CAI	CAY	CAT	CAJ	0.5°	0.2°
CAI	CAY	CAT	FAF	179.2°	179.7°
CAY	CAI	CAH	HAI	180.0°	179.9°
CAY	CAI	CAH	CAS	0.7°	0.0°
CAY	CAI	CAH	HAH	179.3°	180.0°
CAT	CAJ	CAS	CAH	0.0°	0.3°
CAT	CAJ	CAS	FAE	179.8°	180.0°
CAT	CAJ	CAS	HAJ	180.0°	179.9°
FAF	CAT	CAJ	CAS	179.3°	180.0°
FAF	CAT	CAJ	HAJ	0.7°	0.1°
CAI	CAH	CAS	HAH	180.0°	180.0°
CAI	CAH	CAS	FAE	179.5°	180.0°
CAI	CAH	CAS	CAJ	0.7°	0.3°
HAI	CAI	CAH	CAS	179.3°	179.9°
HAI	CAI	CAH	HAH	0.7°	0.0°
CAH	CAS	FAE	CAJ	179.8°	179.7°
CAH	CAS	CAJ	HAJ	179.9°	179.8°
HAH	CAH	CAS	FAE	0.5°	0.0°
HAH	CAH	CAS	CAJ	179.3°	179.7°
FAE	CAS	CAJ	HAJ	0.2°	0.1°

Definition date:	2007-05-09
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI