BI8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CB0	NAO	sing	1.46Å	1.48Å
CB0	HB01	sing	1.09Å	1.12Å
CB0	HB02	sing	1.09Å	1.12Å
CB0	HB03	sing	1.09Å	1.11Å
NBC	CBB	sing	1.47Å	1.47Å
NBC	HBC1	sing	1.01Å	1.02Å
NBC	HBC2	sing	1.01Å	1.02Å
CBB	CBA	sing	1.53Å	1.53Å
CBB	HBB1	sing	1.09Å	1.11Å
CBB	HBB2	sing	1.09Å	1.12Å
CBA	CAY	sing	1.53Å	1.53Å
CBA	HBA1	sing	1.09Å	1.12Å
CBA	HBA2	sing	1.09Å	1.11Å
CAY	NAH	sing	1.46Å	1.47Å
CAY	HAY1	sing	1.09Å	1.12Å
CAY	HAY2	sing	1.09Å	1.11Å
NAH	CAW	sing	1.36Å	1.34Å	Aromatic
NAH	CAE	sing	1.38Å	1.33Å	Aromatic
CAW	CAG	doub	1.36Å	1.33Å	Aromatic
CAW	HAW	sing	1.08Å	1.10Å
CAE	CAF	sing	1.39Å	1.39Å	Aromatic
CAE	CAD	doub	1.41Å	1.39Å	Aromatic
CAF	CAA	doub	1.38Å	1.39Å	Aromatic
CAF	HAF	sing	1.08Å	1.10Å
CAA	CAB	sing	1.39Å	1.39Å	Aromatic
CAA	HAA	sing	1.08Å	1.10Å
CAB	CAC	doub	1.38Å	1.39Å	Aromatic
CAB	HAB	sing	1.08Å	1.10Å
CAC	CAD	sing	1.39Å	1.39Å	Aromatic
CAC	HAC	sing	1.08Å	1.10Å
CAD	CAG	sing	1.47Å	1.39Å	Aromatic
CAG	CAI	sing	1.47Å	1.39Å
CAI	CAT	sing	1.48Å	1.39Å
CAI	CAJ	doub	1.39Å	1.39Å
CAT	OAZ	doub	1.21Å	1.23Å
CAT	NAU	sing	1.34Å	1.33Å
NAU	CAV	sing	1.34Å	1.33Å
NAU	HAU	sing	0.97Å	1.02Å
CAV	OAX	doub	1.21Å	1.23Å
CAV	CAJ	sing	1.48Å	1.39Å
CAJ	CAK	sing	1.47Å	1.39Å
CAK	CAM	sing	1.47Å	1.39Å	Aromatic
CAK	CAL	doub	1.36Å	1.33Å	Aromatic
CAM	CAP	doub	1.39Å	1.39Å	Aromatic
CAM	CAN	sing	1.40Å	1.39Å	Aromatic
CAP	CAQ	sing	1.38Å	1.39Å	Aromatic
CAP	HAP	sing	1.08Å	1.10Å
CAQ	CAR	doub	1.39Å	1.39Å	Aromatic
CAQ	HAQ	sing	1.08Å	1.10Å
CAR	CAS	sing	1.38Å	1.39Å	Aromatic
CAR	HAR	sing	1.08Å	1.10Å
CAS	CAN	doub	1.39Å	1.39Å	Aromatic
CAS	HAS	sing	1.08Å	1.10Å
CAN	NAO	sing	1.38Å	1.33Å	Aromatic
NAO	CAL	sing	1.36Å	1.33Å	Aromatic
CAL	HAL	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
NAO	CB0	HB01	123.4°	109.5°
NAO	CB0	HB02	107.3°	109.5°
NAO	CB0	HB03	107.3°	109.5°
CB0	NAO	CAN	124.2°	124.8°
CB0	NAO	CAL	123.4°	124.9°
HB01	CB0	HB02	107.2°	109.5°
HB01	CB0	HB03	107.3°	109.5°
HB02	CB0	HB03	102.5°	109.4°
CBB	NBC	HBC1	166.8°	106.7°
CBB	NBC	HBC2	166.9°	106.7°
NBC	CBB	CBA	109.5°	109.5°
NBC	CBB	HBB1	112.2°	109.4°
NBC	CBB	HBB2	112.2°	109.5°
HBC1	NBC	HBC2	21.4°	106.7°
CBA	CBB	HBB1	112.2°	109.5°
CBA	CBB	HBB2	112.2°	109.5°
CBB	CBA	CAY	111.1°	109.5°
CBB	CBA	HBA1	111.6°	109.4°
CBB	CBA	HBA2	111.6°	109.5°
HBB1	CBB	HBB2	98.2°	109.5°
CAY	CBA	HBA1	111.6°	109.5°
CAY	CBA	HBA2	111.6°	109.5°
CBA	CAY	NAH	115.2°	109.5°
CBA	CAY	HAY1	110.1°	109.4°
CBA	CAY	HAY2	110.1°	109.5°
HBA1	CBA	HBA2	98.8°	109.4°
NAH	CAY	HAY1	110.1°	109.6°
NAH	CAY	HAY2	110.1°	109.4°
CAY	NAH	CAW	125.7°	125.0°
CAY	NAH	CAE	121.8°	124.8°
HAY1	CAY	HAY2	100.1°	109.5°
CAW	NAH	CAE	112.2°	110.3°
NAH	CAW	CAG	107.6°	109.7°
NAH	CAW	HAW	126.2°	125.1°
NAH	CAE	CAF	134.3°	133.2°
NAH	CAE	CAD	104.7°	107.5°
CAG	CAW	HAW	126.2°	125.2°
CAW	CAG	CAD	107.6°	106.6°
CAW	CAG	CAI	120.9°	126.7°
CAF	CAE	CAD	120.9°	119.4°
CAE	CAF	CAA	119.6°	120.0°
CAE	CAF	HAF	120.2°	120.0°
CAE	CAD	CAC	119.3°	120.1°
CAE	CAD	CAG	107.9°	106.0°
CAA	CAF	HAF	120.2°	120.0°
CAF	CAA	CAB	119.8°	120.6°
CAF	CAA	HAA	120.1°	119.7°
CAB	CAA	HAA	120.1°	119.6°
CAA	CAB	CAC	120.2°	120.3°
CAA	CAB	HAB	119.9°	119.9°
CAC	CAB	HAB	119.9°	119.8°
CAB	CAC	CAD	120.2°	119.7°
CAB	CAC	HAC	119.9°	120.2°
CAD	CAC	HAC	119.9°	120.1°
CAC	CAD	CAG	132.8°	133.9°
CAD	CAG	CAI	130.4°	126.7°
CAG	CAI	CAT	123.1°	127.0°
CAG	CAI	CAJ	129.6°	127.0°
CAT	CAI	CAJ	107.2°	106.1°
CAI	CAT	OAZ	127.5°	125.8°
CAI	CAT	NAU	106.0°	108.7°
CAI	CAJ	CAV	107.7°	106.1°
CAI	CAJ	CAK	128.0°	127.0°
OAZ	CAT	NAU	126.4°	125.6°
CAT	NAU	CAV	113.4°	110.5°
CAT	NAU	HAU	123.3°	124.8°
CAV	NAU	HAU	123.3°	124.7°
NAU	CAV	OAX	126.3°	125.6°
NAU	CAV	CAJ	105.7°	108.6°
OAX	CAV	CAJ	128.0°	125.7°
CAV	CAJ	CAK	124.4°	126.9°
CAJ	CAK	CAM	132.9°	126.8°
CAJ	CAK	CAL	119.3°	126.8°
CAM	CAK	CAL	107.8°	106.5°
CAK	CAM	CAP	132.9°	133.9°
CAK	CAM	CAN	107.6°	106.0°
CAK	CAL	NAO	107.4°	109.7°
CAK	CAL	HAL	126.3°	125.1°
CAP	CAM	CAN	119.4°	120.1°
CAM	CAP	CAQ	120.2°	119.6°
CAM	CAP	HAP	119.9°	120.2°
CAM	CAN	CAS	120.9°	119.4°
CAM	CAN	NAO	104.7°	107.5°
CAQ	CAP	HAP	119.9°	120.2°
CAP	CAQ	CAR	119.9°	120.3°
CAP	CAQ	HAQ	120.0°	119.8°
CAR	CAQ	HAQ	120.1°	119.8°
CAQ	CAR	CAS	120.3°	120.6°
CAQ	CAR	HAR	119.9°	119.7°
CAS	CAR	HAR	119.9°	119.7°
CAR	CAS	CAN	119.3°	119.9°
CAR	CAS	HAS	120.3°	120.0°
CAN	CAS	HAS	120.3°	120.0°
CAS	CAN	NAO	134.4°	133.2°
CAN	NAO	CAL	112.4°	110.3°
NAO	CAL	HAL	126.3°	125.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
NAO	CB0	HB01	HB02	125.3°	120.1°
NAO	CB0	HB01	HB03	125.3°	120.0°
NAO	CB0	HB02	HB03	112.8°	120.0°
CB0	NAO	CAL	CAK	178.2°	179.9°
CB0	NAO	CAN	CAM	177.8°	179.9°
CB0	NAO	CAN	CAS	1.0°	0.7°
CB0	NAO	CAN	CAL	178.4°	179.7°
CB0	NAO	CAL	HAL	1.8°	0.2°
HB01	CB0	HB02	HB03	112.8°	120.0°
HB01	CB0	NAO	CAN	1.8°	90.3°
HB01	CB0	NAO	CAL	180.0°	90.1°
HB02	CB0	NAO	CAN	127.0°	29.7°
HB02	CB0	NAO	CAL	54.7°	149.9°
HB03	CB0	NAO	CAN	123.5°	149.7°
HB03	CB0	NAO	CAL	54.7°	29.9°
CBB	NBC	HBC1	HBC2	144.1°	113.8°
NBC	CBB	CBA	HBB1	125.3°	120.0°
NBC	CBB	CBA	HBB2	125.2°	120.1°
NBC	CBB	HBB1	HBB2	118.1°	120.0°
NBC	CBB	CBA	CAY	170.7°	180.0°
NBC	CBB	CBA	HBA1	45.4°	60.0°
NBC	CBB	CBA	HBA2	64.1°	59.9°
HBC1	NBC	CBB	CBA	0.4°	179.9°
HBC1	NBC	CBB	HBB1	124.9°	60.0°
HBC1	NBC	CBB	HBB2	125.7°	60.0°
HBC2	NBC	CBB	CBA	110.0°	66.3°
HBC2	NBC	CBB	HBB1	15.2°	173.8°
HBC2	NBC	CBB	HBB2	124.7°	53.8°
CBA	CBB	HBB1	HBB2	118.1°	120.0°
CBB	CBA	CAY	HBA1	125.3°	120.0°
CBB	CBA	CAY	HBA2	125.2°	120.0°
CBB	CBA	HBA1	HBA2	117.5°	119.9°
CBB	CBA	CAY	NAH	65.6°	179.9°
CBB	CBA	CAY	HAY1	59.6°	60.0°
CBB	CBA	CAY	HAY2	169.1°	60.0°
HBB1	CBB	CBA	CAY	64.0°	60.0°
HBB1	CBB	CBA	HBA1	170.7°	180.0°
HBB1	CBB	CBA	HBA2	61.2°	60.0°
HBB2	CBB	CBA	CAY	45.4°	60.0°
HBB2	CBB	CBA	HBA1	79.8°	60.1°
HBB2	CBB	CBA	HBA2	170.7°	NaN°
CAY	CBA	HBA1	HBA2	117.5°	120.1°
CBA	CAY	NAH	HAY1	125.3°	120.0°
CBA	CAY	NAH	HAY2	125.3°	120.0°
CBA	CAY	HAY1	HAY2	116.0°	120.0°
CBA	CAY	NAH	CAW	35.7°	90.0°
CBA	CAY	NAH	CAE	150.5°	90.1°
HBA1	CBA	CAY	NAH	169.1°	60.0°
HBA1	CBA	CAY	HAY1	65.6°	180.0°
HBA1	CBA	CAY	HAY2	43.9°	60.0°
HBA2	CBA	CAY	NAH	59.6°	60.1°
HBA2	CBA	CAY	HAY1	175.1°	60.0°
HBA2	CBA	CAY	HAY2	65.6°	180.0°
NAH	CAY	HAY1	HAY2	115.9°	120.0°
CAY	NAH	CAW	CAE	174.3°	180.0°
CAY	NAH	CAW	CAG	174.2°	180.0°
CAY	NAH	CAW	HAW	5.8°	0.0°
CAY	NAH	CAE	CAF	3.6°	0.1°
CAY	NAH	CAE	CAD	174.5°	179.7°
HAY1	CAY	NAH	CAW	161.0°	150.0°
HAY1	CAY	NAH	CAE	25.2°	30.0°
HAY2	CAY	NAH	CAW	89.5°	30.0°
HAY2	CAY	NAH	CAE	84.3°	150.0°
NAH	CAW	CAG	HAW	180.0°	180.0°
CAW	NAH	CAE	CAF	178.1°	180.0°
CAW	NAH	CAE	CAD	0.1°	0.3°
NAH	CAW	CAG	CAD	0.0°	0.3°
NAH	CAW	CAG	CAI	169.0°	180.0°
CAE	NAH	CAW	CAG	0.1°	0.0°
CAE	NAH	CAW	HAW	179.9°	180.0°
NAH	CAE	CAF	CAD	177.8°	179.6°
NAH	CAE	CAF	CAA	177.3°	179.9°
NAH	CAE	CAF	HAF	2.7°	0.1°
NAH	CAE	CAD	CAC	178.2°	179.7°
NAH	CAE	CAD	CAG	0.1°	0.5°
CAW	CAG	CAD	CAE	0.0°	0.5°
CAW	CAG	CAD	CAC	178.0°	179.5°
CAW	CAG	CAD	CAI	167.6°	179.7°
CAW	CAG	CAI	CAT	134.4°	90.0°
CAW	CAG	CAI	CAJ	43.4°	90.0°
HAW	CAW	CAG	CAD	180.0°	179.7°
HAW	CAW	CAG	CAI	11.0°	0.0°
CAE	CAF	CAA	HAF	180.0°	180.0°
CAE	CAF	CAA	CAB	0.4°	0.0°
CAE	CAF	CAA	HAA	179.6°	179.9°
CAF	CAE	CAD	CAC	0.1°	0.6°
CAF	CAE	CAD	CAG	178.4°	179.8°
CAD	CAE	CAF	CAA	0.5°	0.3°
CAD	CAE	CAF	HAF	179.5°	179.7°
CAE	CAD	CAC	CAB	0.4°	0.6°
CAE	CAD	CAC	CAG	177.8°	178.9°
CAE	CAD	CAC	HAC	179.6°	179.7°
CAE	CAD	CAG	CAI	167.6°	179.8°
CAF	CAA	CAB	HAA	180.0°	179.9°
CAF	CAA	CAB	CAC	0.1°	0.0°
CAF	CAA	CAB	HAB	179.9°	180.0°
HAF	CAF	CAA	CAB	179.6°	180.0°
HAF	CAF	CAA	HAA	0.4°	0.1°
CAA	CAB	CAC	HAB	180.0°	180.0°
CAA	CAB	CAC	CAD	0.5°	0.3°
CAA	CAB	CAC	HAC	179.5°	180.0°
HAA	CAA	CAB	CAC	179.9°	180.0°
HAA	CAA	CAB	HAB	0.1°	0.1°
CAB	CAC	CAD	HAC	180.0°	179.7°
CAB	CAC	CAD	CAG	177.4°	179.5°
HAB	CAB	CAC	CAD	179.5°	179.7°
HAB	CAB	CAC	HAC	0.5°	0.0°
CAC	CAD	CAG	CAI	10.4°	0.8°
HAC	CAC	CAD	CAG	2.6°	0.7°
CAD	CAG	CAI	CAT	31.8°	89.6°
CAD	CAG	CAI	CAJ	150.4°	90.3°
CAG	CAI	CAT	CAJ	178.2°	180.0°
CAG	CAI	CAT	OAZ	0.2°	0.1°
CAG	CAI	CAT	NAU	178.5°	180.0°
CAG	CAI	CAJ	CAV	178.3°	179.8°
CAG	CAI	CAJ	CAK	2.9°	0.1°
CAI	CAT	OAZ	NAU	177.9°	179.9°
CAI	CAT	NAU	CAV	0.3°	0.3°
CAI	CAT	NAU	HAU	179.7°	180.0°
CAT	CAI	CAJ	CAV	0.2°	0.2°
CAT	CAI	CAJ	CAK	179.0°	180.0°
CAJ	CAI	CAT	OAZ	178.0°	179.9°
CAJ	CAI	CAT	NAU	0.3°	0.0°
CAI	CAJ	CAV	NAU	0.0°	0.4°
CAI	CAJ	CAV	OAX	179.5°	180.0°
CAI	CAJ	CAV	CAK	178.9°	179.7°
CAI	CAJ	CAK	CAM	27.7°	90.0°
CAI	CAJ	CAK	CAL	154.5°	90.0°
OAZ	CAT	NAU	CAV	178.0°	179.7°
OAZ	CAT	NAU	HAU	2.0°	0.1°
CAT	NAU	CAV	HAU	180.0°	179.8°
CAT	NAU	CAV	OAX	179.3°	180.0°
CAT	NAU	CAV	CAJ	0.1°	0.4°
NAU	CAV	OAX	CAJ	179.3°	179.5°
NAU	CAV	CAJ	CAK	178.9°	179.9°
HAU	NAU	CAV	OAX	0.7°	0.3°
HAU	NAU	CAV	CAJ	179.9°	179.8°
OAX	CAV	CAJ	CAK	1.6°	0.3°
CAV	CAJ	CAK	CAM	150.9°	89.7°
CAV	CAJ	CAK	CAL	26.8°	90.3°
CAJ	CAK	CAM	CAL	178.0°	180.0°
CAJ	CAK	CAM	CAP	0.3°	0.1°
CAJ	CAK	CAM	CAN	178.6°	179.8°
CAJ	CAK	CAL	NAO	178.6°	180.0°
CAJ	CAK	CAL	HAL	1.4°	0.1°
CAK	CAM	CAP	CAN	178.8°	179.7°
CAK	CAM	CAP	CAQ	179.2°	179.9°
CAK	CAM	CAP	HAP	0.8°	0.1°
CAK	CAM	CAN	CAS	179.8°	179.7°
CAK	CAM	CAN	NAO	0.7°	0.4°
CAM	CAK	CAL	NAO	0.3°	0.0°
CAM	CAK	CAL	HAL	179.7°	179.9°
CAL	CAK	CAM	CAP	178.3°	179.9°
CAL	CAK	CAM	CAN	0.6°	0.2°
CAK	CAL	NAO	CAN	0.2°	0.3°
CAK	CAL	NAO	HAL	180.0°	179.9°
CAM	CAP	CAQ	HAP	180.0°	180.0°
CAM	CAP	CAQ	CAR	0.1°	0.0°
CAM	CAP	CAQ	HAQ	179.9°	179.9°
CAP	CAM	CAN	CAS	0.7°	0.5°
CAP	CAM	CAN	NAO	178.4°	179.9°
CAN	CAM	CAP	CAQ	0.3°	0.3°
CAN	CAM	CAP	HAP	179.7°	179.8°
CAM	CAN	CAS	CAR	0.5°	0.5°
CAM	CAN	CAS	NAO	178.7°	179.2°
CAM	CAN	CAS	HAS	179.5°	179.7°
CAM	CAN	NAO	CAL	0.5°	0.4°
CAP	CAQ	CAR	HAQ	180.0°	180.0°
CAP	CAQ	CAR	CAS	0.3°	0.0°
CAP	CAQ	CAR	HAR	179.7°	179.9°
HAP	CAP	CAQ	CAR	179.9°	180.0°
HAP	CAP	CAQ	HAQ	0.1°	0.0°
CAQ	CAR	CAS	HAR	180.0°	179.9°
CAQ	CAR	CAS	CAN	0.0°	0.3°
CAQ	CAR	CAS	HAS	180.0°	180.0°
HAQ	CAQ	CAR	CAS	179.7°	179.9°
HAQ	CAQ	CAR	HAR	0.3°	0.0°
CAR	CAS	CAN	HAS	180.0°	179.8°
CAR	CAS	CAN	NAO	178.2°	179.7°
HAR	CAR	CAS	CAN	180.0°	179.8°
HAR	CAR	CAS	HAS	0.0°	0.1°
CAS	CAN	NAO	CAL	179.4°	179.6°
HAS	CAS	CAN	NAO	1.8°	0.6°
CAN	NAO	CAL	HAL	179.8°	179.8°

Definition date:	2004-01-22
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	1UVR