SDT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OAD	CAP	doub	1.21Å	1.24Å
CAP	CAI	sing	1.52Å	1.53Å
CAP	CAW	sing	1.50Å	1.51Å
CAI	CAL	sing	1.55Å	1.53Å
CAL	CAV	sing	1.54Å	1.53Å
CAV	CAW	sing	1.56Å	1.56Å
CAV	CAU	sing	1.52Å	1.54Å
CAW	CAB	sing	1.53Å	1.54Å
CAW	CAN	sing	1.52Å	1.54Å
CAN	CAJ	sing	1.54Å	1.55Å
CAJ	CAO	sing	1.51Å	1.55Å
CAU	CAO	sing	1.52Å	1.53Å
CAU	CAM	sing	1.53Å	1.53Å
CAO	OAC	doub	1.21Å	1.24Å
CAM	CAK	sing	1.53Å	1.52Å
CAK	CAT	sing	1.51Å	1.52Å
CAT	CAS	doub	1.39Å	1.41Å	Aromatic
CAT	CAQ	sing	1.38Å	1.41Å	Aromatic
CAS	OAF	sing	1.36Å	1.38Å
CAS	CAR	sing	1.39Å	1.42Å	Aromatic
CAR	OAE	sing	1.36Å	1.37Å
CAR	CAH	doub	1.38Å	1.39Å	Aromatic
CAH	CAG	sing	1.38Å	1.39Å	Aromatic
CAG	CAQ	doub	1.38Å	1.38Å	Aromatic
CAQ	CAA	sing	1.51Å	1.50Å
CAI	HAI	sing	1.09Å	1.10Å
CAI	HAIA	sing	1.09Å	1.10Å
CAL	HAL	sing	1.09Å	1.10Å
CAL	HALA	sing	1.09Å	1.10Å
CAV	HAV	sing	1.09Å	1.10Å
CAB	HAB	sing	1.09Å	1.10Å
CAB	HABA	sing	1.09Å	1.10Å
CAB	HABB	sing	1.09Å	1.10Å
CAN	HAN	sing	1.09Å	1.10Å
CAN	HANA	sing	1.09Å	1.10Å
CAJ	HAJ	sing	1.09Å	1.10Å
CAJ	HAJA	sing	1.09Å	1.10Å
CAU	HAU	sing	1.09Å	1.10Å
CAM	HAM	sing	1.09Å	1.10Å
CAM	HAMA	sing	1.09Å	1.10Å
CAK	HAK	sing	1.09Å	1.10Å
CAK	HAKA	sing	1.09Å	1.10Å
OAF	HOAF	sing	0.97Å	0.95Å
OAE	HOAE	sing	0.97Å	0.95Å
CAH	HAH	sing	1.08Å	1.08Å
CAG	HAG	sing	1.08Å	1.08Å
CAA	HAA	sing	1.09Å	1.10Å
CAA	HAAA	sing	1.09Å	1.10Å
CAA	HAAB	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OAD	CAP	CAI	124.7°	126.9°
OAD	CAP	CAW	124.2°	127.0°
CAI	CAP	CAW	111.0°	106.1°
CAP	CAI	CAL	104.4°	106.7°
CAP	CAI	HAI	111.2°	110.1°
CAP	CAI	HAIA	112.3°	110.1°
CAP	CAW	CAV	95.5°	103.6°
CAP	CAW	CAB	107.8°	109.7°
CAP	CAW	CAN	114.6°	116.0°
CAI	CAL	CAV	102.3°	102.7°
CAL	CAI	HAI	111.2°	110.0°
CAL	CAI	HAIA	112.3°	110.0°
CAI	CAL	HAL	111.9°	110.8°
CAI	CAL	HALA	113.4°	110.8°
CAL	CAV	CAW	106.7°	101.1°
CAL	CAV	CAU	120.6°	114.6°
CAV	CAL	HAL	111.9°	110.8°
CAV	CAL	HALA	113.4°	110.8°
CAL	CAV	HAV	105.2°	111.1°
CAW	CAV	CAU	114.0°	106.7°
CAV	CAW	CAB	117.3°	109.8°
CAV	CAW	CAN	111.6°	108.1°
CAW	CAV	HAV	113.4°	111.4°
CAV	CAU	CAO	104.8°	106.6°
CAV	CAU	CAM	115.4°	110.1°
CAU	CAV	HAV	96.3°	111.4°
CAV	CAU	HAU	110.7°	110.1°
CAB	CAW	CAN	109.6°	109.4°
CAW	CAB	HAB	109.5°	109.5°
CAW	CAB	HABA	109.5°	109.5°
CAW	CAB	HABB	109.4°	109.5°
CAW	CAN	CAJ	110.9°	107.5°
CAW	CAN	HAN	109.0°	109.9°
CAW	CAN	HANA	108.7°	109.9°
CAN	CAJ	CAO	113.5°	110.2°
CAJ	CAN	HAN	109.0°	109.9°
CAJ	CAN	HANA	108.7°	109.8°
CAN	CAJ	HAJ	108.2°	109.3°
CAN	CAJ	HAJA	107.3°	109.4°
CAJ	CAO	CAU	117.7°	120.0°
CAJ	CAO	OAC	119.1°	120.1°
CAO	CAJ	HAJ	108.1°	109.3°
CAO	CAJ	HAJA	107.2°	109.4°
CAO	CAU	CAM	114.7°	110.5°
CAU	CAO	OAC	123.2°	119.9°
CAO	CAU	HAU	111.5°	109.4°
CAU	CAM	CAK	110.2°	109.5°
CAM	CAU	HAU	99.9°	110.1°
CAU	CAM	HAM	109.2°	109.4°
CAU	CAM	HAMA	109.1°	109.5°
CAM	CAK	CAT	115.3°	109.4°
CAK	CAM	HAM	109.2°	109.5°
CAK	CAM	HAMA	109.1°	109.5°
CAM	CAK	HAK	107.6°	109.5°
CAM	CAK	HAKA	106.2°	109.5°
CAK	CAT	CAS	118.8°	120.0°
CAK	CAT	CAQ	122.3°	120.0°
CAT	CAK	HAK	107.6°	109.5°
CAT	CAK	HAKA	106.2°	109.5°
CAS	CAT	CAQ	118.8°	120.0°
CAT	CAS	OAF	118.6°	120.1°
CAT	CAS	CAR	120.4°	119.8°
CAT	CAQ	CAG	120.5°	120.1°
CAT	CAQ	CAA	124.4°	119.9°
OAF	CAS	CAR	121.0°	120.1°
CAS	OAF	HOAF	109.5°	114.0°
CAS	CAR	OAE	124.7°	120.1°
CAS	CAR	CAH	118.2°	119.8°
OAE	CAR	CAH	117.1°	120.1°
CAR	OAE	HOAE	109.5°	114.0°
CAR	CAH	CAG	121.8°	120.0°
CAR	CAH	HAH	119.1°	120.0°
CAH	CAG	CAQ	120.2°	120.1°
CAG	CAH	HAH	119.1°	120.0°
CAH	CAG	HAG	119.9°	120.0°
CAG	CAQ	CAA	115.0°	119.9°
CAQ	CAG	HAG	119.9°	119.9°
CAQ	CAA	HAA	109.5°	109.5°
CAQ	CAA	HAAA	109.5°	109.5°
CAQ	CAA	HAAB	109.5°	109.4°
HAI	CAI	HAIA	105.6°	110.0°
HAL	CAL	HALA	104.1°	110.9°
HAB	CAB	HABA	109.4°	109.4°
HAB	CAB	HABB	109.5°	109.5°
HABA	CAB	HABB	109.5°	109.5°
HAN	CAN	HANA	110.5°	109.9°
HAJ	CAJ	HAJA	112.7°	109.2°
HAM	CAM	HAMA	110.1°	109.5°
HAK	CAK	HAKA	114.2°	109.5°
HAA	CAA	HAAA	109.5°	109.5°
HAA	CAA	HAAB	109.4°	109.5°
HAAA	CAA	HAAB	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OAD	CAP	CAI	CAW	179.0°	179.7°
OAD	CAP	CAI	CAL	165.3°	176.5°
OAD	CAP	CAW	CAV	144.1°	150.9°
OAD	CAP	CAW	CAB	94.9°	91.9°
OAD	CAP	CAW	CAN	27.4°	32.7°
OAD	CAP	CAI	HAI	45.3°	57.2°
OAD	CAP	CAI	HAIA	72.7°	64.3°
CAP	CAI	CAL	HAI	120.0°	119.4°
CAP	CAI	CAL	HAIA	121.9°	119.3°
CAP	CAI	CAL	CAV	15.0°	23.4°
CAI	CAP	CAW	CAV	34.9°	29.4°
CAI	CAP	CAW	CAB	86.1°	87.8°
CAI	CAP	CAW	CAN	151.6°	147.6°
CAP	CAI	HAI	HAIA	122.1°	121.5°
CAP	CAI	CAL	HAL	135.0°	141.7°
CAP	CAI	CAL	HALA	107.6°	94.8°
CAW	CAP	CAI	CAL	13.7°	3.8°
CAP	CAW	CAV	CAL	44.5°	43.8°
CAP	CAW	CAV	CAB	113.3°	117.1°
CAP	CAW	CAV	CAN	119.2°	123.7°
CAP	CAW	CAV	CAU	179.8°	163.9°
CAP	CAW	CAB	CAN	125.3°	128.3°
CAP	CAW	CAN	CAJ	157.8°	177.3°
CAW	CAP	CAI	HAI	133.7°	123.1°
CAW	CAP	CAI	HAIA	108.2°	115.4°
CAP	CAW	CAV	HAV	70.9°	74.3°
CAP	CAW	CAB	HAB	79.6°	61.5°
CAP	CAW	CAB	HABA	40.3°	178.6°
CAP	CAW	CAB	HABB	160.4°	58.6°
CAP	CAW	CAN	HAN	82.2°	57.7°
CAP	CAW	CAN	HANA	38.4°	63.3°
CAI	CAL	CAV	HAL	120.0°	118.3°
CAI	CAL	CAV	HALA	122.5°	118.3°
CAI	CAL	CAV	CAW	38.6°	40.5°
CAI	CAL	CAV	CAU	170.8°	154.9°
CAL	CAI	HAI	HAIA	122.1°	121.3°
CAI	CAL	HAL	HALA	122.9°	123.4°
CAI	CAL	CAV	HAV	82.2°	77.8°
CAL	CAV	CAW	CAU	135.7°	120.1°
CAL	CAV	CAW	HAV	115.4°	118.1°
CAL	CAV	CAU	HAV	111.9°	127.1°
CAL	CAV	CAW	CAB	68.7°	73.3°
CAL	CAV	CAW	CAN	163.7°	167.4°
CAL	CAV	CAU	CAO	173.4°	169.9°
CAL	CAV	CAU	CAM	46.2°	70.2°
CAV	CAL	CAI	HAI	105.0°	95.9°
CAV	CAL	CAI	HAIA	136.9°	142.8°
CAV	CAL	HAL	HALA	122.9°	123.4°
CAL	CAV	CAU	HAU	66.3°	51.3°
CAW	CAV	CAU	HAV	119.1°	121.8°
CAV	CAW	CAB	CAN	128.5°	118.4°
CAV	CAW	CAN	CAJ	50.8°	67.0°
CAW	CAV	CAU	CAO	57.6°	58.8°
CAW	CAV	CAU	CAM	175.2°	178.7°
CAW	CAV	CAL	HAL	158.6°	158.8°
CAW	CAV	CAL	HALA	83.9°	77.8°
CAV	CAW	CAB	HAB	26.5°	174.7°
CAV	CAW	CAB	HABA	146.5°	65.4°
CAV	CAW	CAB	HABB	93.5°	54.6°
CAV	CAW	CAN	HAN	170.8°	173.5°
CAV	CAW	CAN	HANA	68.7°	52.5°
CAW	CAV	CAU	HAU	62.7°	59.7°
CAU	CAV	CAW	CAB	67.0°	46.8°
CAU	CAV	CAW	CAN	60.6°	72.5°
CAV	CAU	CAO	CAJ	52.6°	49.5°
CAV	CAU	CAO	CAM	127.6°	119.6°
CAV	CAU	CAO	HAU	119.8°	119.0°
CAV	CAU	CAM	HAU	118.7°	121.5°
CAV	CAU	CAO	OAC	127.6°	130.0°
CAV	CAU	CAM	CAK	47.7°	175.0°
CAU	CAV	CAL	HAL	69.3°	86.8°
CAU	CAV	CAL	HALA	48.2°	36.6°
CAV	CAU	CAM	HAM	72.3°	65.0°
CAV	CAU	CAM	HAMA	167.4°	55.0°
CAB	CAW	CAN	CAJ	80.8°	52.6°
CAB	CAW	CAV	HAV	175.8°	168.6°
CAW	CAB	HAB	HABA	120.0°	120.0°
CAW	CAB	HAB	HABB	120.0°	120.0°
CAW	CAB	HABA	HABB	120.0°	120.0°
CAB	CAW	CAN	HAN	39.1°	67.0°
CAB	CAW	CAN	HANA	159.7°	172.0°
CAW	CAN	CAJ	HAN	120.0°	119.5°
CAW	CAN	CAJ	HANA	119.4°	119.5°
CAW	CAN	CAJ	CAO	45.1°	51.4°
CAN	CAW	CAV	HAV	48.3°	49.4°
CAN	CAW	CAB	HAB	155.0°	66.9°
CAN	CAW	CAB	HABA	85.0°	53.1°
CAN	CAW	CAB	HABB	35.0°	173.1°
CAW	CAN	HAN	HANA	119.4°	121.0°
CAW	CAN	CAJ	HAJ	74.9°	68.7°
CAW	CAN	CAJ	HAJA	163.3°	171.7°
CAN	CAJ	CAO	HAJ	120.0°	120.2°
CAN	CAJ	CAO	HAJA	118.2°	120.3°
CAN	CAJ	CAO	CAU	49.2°	45.8°
CAN	CAJ	CAO	OAC	131.0°	133.8°
CAJ	CAN	HAN	HANA	119.4°	120.9°
CAN	CAJ	HAJ	HAJA	118.4°	119.6°
CAJ	CAO	CAU	OAC	179.8°	179.6°
CAJ	CAO	CAU	CAM	179.8°	169.2°
CAO	CAJ	CAN	HAN	165.1°	171.0°
CAO	CAJ	CAN	HANA	74.3°	68.1°
CAO	CAJ	HAJ	HAJA	118.3°	119.7°
CAJ	CAO	CAU	HAU	67.2°	69.4°
CAO	CAU	CAM	HAU	119.3°	120.9°
CAO	CAU	CAM	CAK	74.4°	67.5°
CAO	CAU	CAV	HAV	61.5°	63.0°
CAU	CAO	CAJ	HAJ	70.8°	74.4°
CAU	CAO	CAJ	HAJA	167.4°	166.1°
CAO	CAU	CAM	HAM	165.7°	52.5°
CAO	CAU	CAM	HAMA	45.3°	172.5°
CAM	CAU	CAO	OAC	0.0°	10.4°
CAU	CAM	CAK	HAM	120.0°	120.0°
CAU	CAM	CAK	HAMA	119.7°	120.0°
CAU	CAM	CAK	CAT	153.4°	180.0°
CAM	CAU	CAV	HAV	65.7°	56.9°
CAU	CAM	HAM	HAMA	119.7°	120.0°
CAU	CAM	CAK	HAK	86.6°	60.0°
CAU	CAM	CAK	HAKA	36.0°	60.0°
OAC	CAO	CAJ	HAJ	109.0°	106.1°
OAC	CAO	CAJ	HAJA	12.7°	13.5°
OAC	CAO	CAU	HAU	112.6°	111.0°
CAM	CAK	CAT	HAK	120.0°	120.0°
CAM	CAK	CAT	HAKA	117.4°	120.0°
CAM	CAK	CAT	CAS	95.2°	90.1°
CAM	CAK	CAT	CAQ	86.8°	90.3°
CAK	CAM	CAU	HAU	166.3°	53.4°
CAK	CAM	HAM	HAMA	119.7°	120.0°
CAM	CAK	HAK	HAKA	117.6°	120.0°
CAK	CAT	CAS	CAQ	178.1°	179.6°
CAK	CAT	CAS	OAF	1.3°	0.1°
CAK	CAT	CAS	CAR	178.2°	180.0°
CAK	CAT	CAQ	CAG	177.7°	179.8°
CAK	CAT	CAQ	CAA	2.6°	0.1°
CAT	CAK	CAM	HAM	33.4°	60.0°
CAT	CAK	CAM	HAMA	86.9°	60.0°
CAT	CAK	HAK	HAKA	117.6°	120.1°
CAT	CAS	OAF	CAR	179.6°	179.9°
CAT	CAS	CAR	OAE	179.8°	180.0°
CAT	CAS	CAR	CAH	0.4°	0.1°
CAS	CAT	CAQ	CAG	0.2°	0.6°
CAS	CAT	CAQ	CAA	179.4°	179.7°
CAS	CAT	CAK	HAK	24.8°	29.9°
CAS	CAT	CAK	HAKA	147.4°	149.9°
CAT	CAS	OAF	HOAF	86.0°	90.0°
CAQ	CAT	CAS	OAF	179.4°	179.7°
CAQ	CAT	CAS	CAR	0.2°	0.4°
CAT	CAQ	CAG	CAH	0.5°	0.5°
CAT	CAQ	CAG	CAA	179.7°	179.7°
CAQ	CAT	CAK	HAK	153.2°	149.7°
CAQ	CAT	CAK	HAKA	30.6°	29.7°
CAT	CAQ	CAG	HAG	179.5°	179.7°
CAT	CAQ	CAA	HAA	94.6°	90.0°
CAT	CAQ	CAA	HAAA	25.5°	150.0°
CAT	CAQ	CAA	HAAB	145.5°	30.0°
OAF	CAS	CAR	OAE	0.6°	0.0°
OAF	CAS	CAR	CAH	179.2°	180.0°
CAS	CAR	OAE	CAH	179.8°	180.0°
CAS	CAR	CAH	CAG	0.2°	0.0°
CAR	CAS	OAF	HOAF	94.5°	90.0°
CAS	CAR	OAE	HOAE	85.8°	90.0°
CAS	CAR	CAH	HAH	179.8°	180.0°
OAE	CAR	CAH	CAG	180.0°	180.0°
OAE	CAR	CAH	HAH	0.0°	0.1°
CAR	CAH	CAG	HAH	180.0°	180.0°
CAR	CAH	CAG	CAQ	0.2°	0.3°
CAH	CAR	OAE	HOAE	94.4°	90.0°
CAR	CAH	CAG	HAG	179.8°	180.0°
CAH	CAG	CAQ	HAG	180.0°	179.7°
CAH	CAG	CAQ	CAA	179.2°	179.7°
CAQ	CAG	CAH	HAH	179.7°	179.8°
CAG	CAQ	CAA	HAA	85.8°	89.7°
CAG	CAQ	CAA	HAAA	154.2°	30.3°
CAG	CAQ	CAA	HAAB	34.2°	150.3°
CAA	CAQ	CAG	HAG	0.8°	0.0°
CAQ	CAA	HAA	HAAA	120.0°	120.0°
CAQ	CAA	HAA	HAAB	120.0°	120.0°
CAQ	CAA	HAAA	HAAB	120.0°	120.0°
HAI	CAI	CAL	HAL	15.0°	22.4°
HAI	CAI	CAL	HALA	132.4°	145.8°
HAIA	CAI	CAL	HAL	103.1°	99.0°
HAIA	CAI	CAL	HALA	14.3°	24.5°
HAL	CAL	CAV	HAV	37.8°	40.5°
HALA	CAL	CAV	HAV	155.3°	163.9°
HAV	CAV	CAU	HAU	178.2°	178.5°
HAB	CAB	HABA	HABB	120.0°	120.0°
HAN	CAN	CAJ	HAJ	45.1°	50.8°
HAN	CAN	CAJ	HAJA	76.7°	68.8°
HANA	CAN	CAJ	HAJ	165.7°	171.8°
HANA	CAN	CAJ	HAJA	43.9°	52.2°
HAU	CAU	CAM	HAM	46.4°	173.4°
HAU	CAU	CAM	HAMA	74.0°	66.6°
HAM	CAM	CAK	HAK	153.4°	180.0°
HAM	CAM	CAK	HAKA	84.0°	60.0°
HAMA	CAM	CAK	HAK	33.1°	60.0°
HAMA	CAM	CAK	HAKA	155.7°	180.0°
HAH	CAH	CAG	HAG	0.3°	0.1°
HAA	CAA	HAAA	HAAB	120.0°	120.0°

Definition date:	2008-02-14
Last modified:	2020-06-17
Release status:	REL
Processing site:	PDBJ
Derived from:	2ZI8