BZ5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAK	CAT	sing	1.45Å	1.33Å	Aromatic
CAK	CAS	doub	1.32Å	1.32Å	Aromatic
CAT	CAI	sing	1.41Å	1.40Å	Aromatic
CAT	CAU	doub	1.40Å	1.42Å	Aromatic
CAI	CAH	doub	1.36Å	1.37Å	Aromatic
CAH	CAR	sing	1.39Å	1.41Å	Aromatic
CAH	CAA	sing	1.51Å	1.54Å
CAR	CAJ	doub	1.37Å	1.39Å	Aromatic
CAJ	CAU	sing	1.40Å	1.37Å	Aromatic
CAU	SAO	sing	1.76Å	1.72Å	Aromatic
SAO	CAS	sing	1.75Å	1.70Å	Aromatic
OAN	CAQ	doub	1.21Å	1.23Å
CAQ	CA0	sing	1.51Å	1.52Å
CAQ	CAW	sing	1.51Å	1.53Å
CAX	CAP	sing	1.51Å	1.53Å
CAX	CA0	sing	1.53Å	1.53Å
CAX	OAF	sing	1.43Å	1.44Å
CAX	CAM	sing	1.53Å	1.53Å
CAP	OAC	doub	1.21Å	1.24Å
CAP	OAB	sing	1.34Å	1.24Å
CA0	CAA	sing	1.53Å	1.53Å
CAM	CAV	sing	1.53Å	1.53Å
CAV	OAD	sing	1.43Å	1.47Å
CAV	CAW	sing	1.53Å	1.51Å
CAW	OAE	sing	1.43Å	1.47Å
CAK	HAK	sing	1.08Å	1.08Å
CAS	HAS	sing	1.08Å	1.08Å
CAI	HAI	sing	1.08Å	1.08Å
CAR	HAR	sing	1.08Å	1.08Å
CAA	HAA1	sing	1.09Å	1.10Å
CAA	HAA2	sing	1.09Å	1.10Å
CAJ	HAJ	sing	1.08Å	1.08Å
CA0	HA0	sing	1.09Å	1.10Å
CAW	HAW	sing	1.09Å	1.10Å
OAF	HAF	sing	0.97Å	0.95Å
CAM	HAM1	sing	1.09Å	1.10Å
CAM	HAM2	sing	1.09Å	1.10Å
OAB	HAB	sing	0.97Å	0.95Å
CAV	HAV	sing	1.09Å	1.10Å
OAD	HAD	sing	0.97Å	0.95Å
OAE	HAE	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAT	CAK	CAS	116.3°	114.9°
CAK	CAT	CAI	128.7°	129.4°
CAK	CAT	CAU	111.3°	111.8°
CAT	CAK	HAK	121.9°	122.5°
CAK	CAS	SAO	111.9°	111.4°
CAS	CAK	HAK	121.9°	122.5°
CAK	CAS	HAS	124.0°	124.3°
CAI	CAT	CAU	120.0°	118.8°
CAT	CAI	CAH	119.9°	120.5°
CAT	CAI	HAI	120.0°	119.7°
CAT	CAU	CAJ	120.4°	119.8°
CAT	CAU	SAO	109.5°	109.6°
CAI	CAH	CAR	118.8°	120.6°
CAI	CAH	CAA	121.5°	119.7°
CAH	CAI	HAI	120.0°	119.8°
CAR	CAH	CAA	119.6°	119.7°
CAH	CAR	CAJ	122.7°	120.2°
CAH	CAR	HAR	118.7°	119.9°
CAH	CAA	CA0	112.2°	109.5°
CAH	CAA	HAA1	108.8°	109.5°
CAH	CAA	HAA2	108.8°	109.5°
CAR	CAJ	CAU	118.1°	120.2°
CAJ	CAR	HAR	118.6°	119.9°
CAR	CAJ	HAJ	121.0°	119.8°
CAJ	CAU	SAO	130.1°	130.6°
CAU	CAJ	HAJ	120.9°	120.0°
CAU	SAO	CAS	90.9°	92.2°
SAO	CAS	HAS	124.0°	124.3°
OAN	CAQ	CA0	120.9°	120.9°
OAN	CAQ	CAW	120.4°	120.8°
CA0	CAQ	CAW	118.7°	118.3°
CAQ	CA0	CAX	105.9°	108.5°
CAQ	CA0	CAA	112.5°	109.6°
CAQ	CA0	HA0	108.1°	109.6°
CAQ	CAW	CAV	109.9°	108.6°
CAQ	CAW	OAE	110.4°	109.7°
CAQ	CAW	HAW	108.6°	109.6°
CAP	CAX	CA0	109.9°	109.5°
CAP	CAX	OAF	109.4°	109.5°
CAP	CAX	CAM	109.2°	109.5°
CAX	CAP	OAC	117.2°	120.1°
CAX	CAP	OAB	117.4°	120.0°
CA0	CAX	OAF	108.0°	109.5°
CA0	CAX	CAM	109.8°	109.4°
CAX	CA0	CAA	114.1°	109.6°
CAX	CA0	HA0	108.0°	109.7°
OAF	CAX	CAM	110.5°	109.5°
CAX	OAF	HAF	109.5°	114.0°
CAX	CAM	CAV	112.2°	110.0°
CAX	CAM	HAM1	108.8°	109.4°
CAX	CAM	HAM2	108.8°	109.3°
OAC	CAP	OAB	125.4°	120.0°
CAP	OAB	HAB	109.5°	117.0°
CA0	CAA	HAA1	108.8°	109.5°
CA0	CAA	HAA2	108.8°	109.4°
CAA	CA0	HA0	108.1°	109.8°
CAM	CAV	OAD	110.9°	109.5°
CAM	CAV	CAW	109.2°	109.4°
CAV	CAM	HAM1	108.8°	109.5°
CAV	CAM	HAM2	108.8°	109.2°
CAM	CAV	HAV	109.2°	109.5°
OAD	CAV	CAW	108.1°	109.7°
OAD	CAV	HAV	110.0°	109.5°
CAV	OAD	HAD	109.5°	114.0°
CAV	CAW	OAE	109.8°	109.6°
CAV	CAW	HAW	108.8°	109.6°
CAW	CAV	HAV	109.4°	109.3°
OAE	CAW	HAW	109.3°	109.7°
CAW	OAE	HAE	109.5°	114.0°
HAA1	CAA	HAA2	109.5°	109.5°
HAM1	CAM	HAM2	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAT	CAK	CAS	HAK	180.0°	179.7°
CAK	CAT	CAI	CAU	176.9°	180.0°
CAK	CAT	CAI	CAH	179.4°	180.0°
CAK	CAT	CAU	CAJ	178.6°	180.0°
CAK	CAT	CAU	SAO	1.0°	0.0°
CAT	CAK	CAS	SAO	3.8°	0.0°
CAT	CAK	CAS	HAS	176.2°	180.0°
CAK	CAT	CAI	HAI	0.6°	0.0°
CAS	CAK	CAT	CAI	179.8°	180.0°
CAS	CAK	CAT	CAU	3.1°	0.0°
CAK	CAS	SAO	CAU	2.6°	0.0°
CAK	CAS	SAO	HAS	180.0°	179.9°
CAT	CAI	CAH	HAI	180.0°	179.9°
CAT	CAI	CAH	CAR	2.8°	0.1°
CAT	CAI	CAH	CAA	179.3°	179.9°
CAI	CAT	CAU	CAJ	1.2°	0.0°
CAI	CAT	CAU	SAO	178.4°	180.0°
CAI	CAT	CAK	HAK	0.2°	0.3°
CAU	CAT	CAI	CAH	2.5°	0.1°
CAT	CAU	CAJ	CAR	0.3°	0.0°
CAT	CAU	CAJ	SAO	179.5°	180.0°
CAT	CAU	SAO	CAS	0.9°	0.0°
CAU	CAT	CAK	HAK	176.9°	179.7°
CAU	CAT	CAI	HAI	177.5°	180.0°
CAT	CAU	CAJ	HAJ	179.7°	180.0°
CAI	CAH	CAR	CAA	177.9°	180.0°
CAI	CAH	CAR	CAJ	2.0°	0.0°
CAI	CAH	CAA	CA0	124.5°	81.9°
CAI	CAH	CAR	HAR	178.0°	180.0°
CAI	CAH	CAA	HAA1	4.1°	158.1°
CAI	CAH	CAA	HAA2	115.2°	38.1°
CAH	CAR	CAJ	HAR	180.0°	180.0°
CAH	CAR	CAJ	CAU	0.7°	0.0°
CAR	CAH	CAA	CA0	57.7°	98.1°
CAR	CAH	CAI	HAI	177.2°	180.0°
CAR	CAH	CAA	HAA1	178.1°	21.9°
CAR	CAH	CAA	HAA2	62.7°	141.9°
CAH	CAR	CAJ	HAJ	179.3°	180.0°
CAA	CAH	CAR	CAJ	179.9°	180.0°
CAH	CAA	CA0	CAQ	107.3°	67.3°
CAH	CAA	CA0	CAX	132.0°	173.7°
CAH	CAA	CA0	HAA1	120.4°	120.0°
CAH	CAA	CA0	HAA2	120.4°	120.0°
CAA	CAH	CAI	HAI	0.7°	0.0°
CAA	CAH	CAR	HAR	0.1°	0.0°
CAH	CAA	HAA1	HAA2	118.8°	120.0°
CAH	CAA	CA0	HA0	11.9°	53.1°
CAR	CAJ	CAU	HAJ	180.0°	180.0°
CAR	CAJ	CAU	SAO	179.2°	180.0°
CAJ	CAU	SAO	CAS	179.6°	180.0°
CAU	CAJ	CAR	HAR	179.3°	180.0°
CAU	SAO	CAS	HAS	177.4°	180.0°
SAO	CAU	CAJ	HAJ	0.8°	0.0°
SAO	CAS	CAK	HAK	176.2°	179.7°
OAN	CAQ	CA0	CAW	177.0°	179.8°
OAN	CAQ	CA0	CAX	129.3°	128.7°
OAN	CAQ	CA0	CAA	4.1°	9.0°
OAN	CAQ	CAW	CAV	130.8°	128.7°
OAN	CAQ	CAW	OAE	9.6°	8.9°
OAN	CAQ	CA0	HA0	115.1°	111.6°
OAN	CAQ	CAW	HAW	110.3°	111.6°
CAQ	CA0	CAX	CAP	176.2°	174.6°
CAQ	CA0	CAX	CAA	124.2°	119.7°
CAQ	CA0	CAX	HA0	115.6°	119.7°
CAQ	CA0	CAX	OAF	64.5°	65.3°
CAQ	CA0	CAX	CAM	56.1°	54.6°
CAQ	CA0	CAA	HA0	119.3°	120.4°
CA0	CAQ	CAW	CAV	52.1°	51.5°
CA0	CAQ	CAW	OAE	173.4°	171.3°
CAQ	CA0	CAA	HAA1	13.1°	52.7°
CAQ	CA0	CAA	HAA2	132.3°	172.7°
CA0	CAQ	CAW	HAW	66.8°	68.1°
CAW	CAQ	CA0	CAX	53.7°	51.6°
CAW	CAQ	CA0	CAA	178.9°	171.3°
CAQ	CAW	CAV	CAM	50.7°	54.5°
CAQ	CAW	CAV	OAD	171.4°	174.6°
CAQ	CAW	CAV	OAE	121.6°	119.8°
CAQ	CAW	CAV	HAW	118.8°	119.7°
CAQ	CAW	OAE	HAW	119.4°	120.5°
CAW	CAQ	CA0	HA0	61.9°	68.2°
CAQ	CAW	CAV	HAV	68.8°	65.3°
CAQ	CAW	OAE	HAE	4.3°	60.0°
CAP	CAX	CA0	OAF	119.3°	120.1°
CAP	CAX	CA0	CAM	120.1°	119.9°
CAP	CAX	OAF	CAM	120.3°	120.0°
CAX	CAP	OAC	OAB	177.3°	180.0°
CAP	CAX	CA0	CAA	59.6°	65.7°
CAP	CAX	CAM	CAV	175.8°	176.7°
CAP	CAX	CA0	HA0	60.6°	54.9°
CAP	CAX	OAF	HAF	180.0°	60.0°
CAP	CAX	CAM	HAM1	55.4°	56.4°
CAP	CAX	CAM	HAM2	63.8°	63.5°
CAX	CAP	OAB	HAB	177.3°	180.0°
CA0	CAX	OAF	CAM	120.1°	119.9°
CA0	CAX	CAP	OAC	75.4°	24.9°
CA0	CAX	CAP	OAB	102.2°	155.0°
CAX	CA0	CAA	HA0	120.1°	120.5°
CA0	CAX	CAM	CAV	63.7°	63.4°
CAX	CA0	CAA	HAA1	107.6°	66.3°
CAX	CA0	CAA	HAA2	11.7°	53.7°
CA0	CAX	OAF	HAF	60.4°	180.0°
CA0	CAX	CAM	HAM1	175.9°	176.3°
CA0	CAX	CAM	HAM2	56.7°	56.5°
OAF	CAX	CAP	OAC	166.2°	145.0°
OAF	CAX	CAP	OAB	16.3°	35.0°
OAF	CAX	CA0	CAA	59.7°	54.3°
OAF	CAX	CAM	CAV	55.4°	56.6°
OAF	CAX	CA0	HA0	179.9°	175.0°
OAF	CAX	CAM	HAM1	65.0°	63.7°
OAF	CAX	CAM	HAM2	175.8°	176.5°
CAM	CAX	CAP	OAC	45.1°	95.0°
CAM	CAX	CAP	OAB	137.4°	85.1°
CAM	CAX	CA0	CAA	179.6°	174.3°
CAX	CAM	CAV	HAM1	120.4°	120.3°
CAX	CAM	CAV	HAM2	120.4°	119.9°
CAX	CAM	CAV	OAD	178.6°	176.4°
CAX	CAM	CAV	CAW	59.6°	63.3°
CAM	CAX	CA0	HA0	59.5°	65.1°
CAM	CAX	OAF	HAF	59.7°	60.0°
CAX	CAM	HAM1	HAM2	118.8°	119.8°
CAX	CAM	CAV	HAV	60.0°	56.4°
OAC	CAP	OAB	HAB	0.0°	0.0°
CA0	CAA	HAA1	HAA2	118.7°	120.0°
CAM	CAV	OAD	CAW	119.7°	120.1°
CAM	CAV	OAD	HAV	120.9°	120.0°
CAM	CAV	CAW	HAV	119.5°	119.8°
CAM	CAV	CAW	OAE	172.3°	174.3°
CAM	CAV	CAW	HAW	68.1°	65.2°
CAV	CAM	HAM1	HAM2	118.8°	119.6°
CAM	CAV	OAD	HAD	180.0°	180.0°
OAD	CAV	CAW	HAV	119.8°	120.1°
OAD	CAV	CAW	OAE	67.0°	65.6°
OAD	CAV	CAW	HAW	52.6°	54.9°
OAD	CAV	CAM	HAM1	61.0°	56.1°
OAD	CAV	CAM	HAM2	58.2°	63.6°
CAV	CAW	OAE	HAW	119.3°	120.4°
CAW	CAV	CAM	HAM1	180.0°	176.4°
CAW	CAV	CAM	HAM2	60.8°	56.7°
CAW	CAV	OAD	HAD	60.3°	59.9°
CAV	CAW	OAE	HAE	125.6°	179.1°
OAE	CAW	CAV	HAV	52.8°	54.4°
HAK	CAK	CAS	HAS	3.8°	0.2°
HAR	CAR	CAJ	HAJ	0.7°	0.0°
HAA1	CAA	CA0	HA0	132.3°	173.1°
HAA2	CAA	CA0	HA0	108.5°	66.8°
HAW	CAW	CAV	HAV	172.4°	175.0°
HAW	CAW	OAE	HAE	115.1°	60.5°
HAM1	CAM	CAV	HAV	60.4°	63.9°
HAM2	CAM	CAV	HAV	179.6°	176.4°
HAV	CAV	OAD	HAD	59.1°	60.0°

Release date:	2012-12-14
Definition date:	2012-08-14
Last modified:	2014-09-05
Release status:	REL
Processing site:	EBI
Derived from:	4B6Q