AXI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O81	C80	doub	1.22Å	1.25Å
C80	N82	sing	1.35Å	1.35Å
C80	C23	sing	1.47Å	1.49Å
N82	C88	sing	1.46Å	1.46Å
C23	C22	sing	1.40Å	1.43Å	Aromatic
C23	C18	doub	1.40Å	1.44Å	Aromatic
C22	C21	doub	1.38Å	1.42Å	Aromatic
C21	C20	sing	1.39Å	1.41Å	Aromatic
C20	C19	doub	1.38Å	1.42Å	Aromatic
C18	C19	sing	1.39Å	1.43Å	Aromatic
C18	S24	sing	1.76Å	1.75Å
S24	C07	sing	1.76Å	1.74Å
C07	C08	sing	1.40Å	1.42Å	Aromatic
C07	C12	doub	1.38Å	1.43Å	Aromatic
C08	C09	doub	1.36Å	1.44Å	Aromatic
C09	C10	sing	1.40Å	1.43Å	Aromatic
C12	C11	sing	1.39Å	1.39Å	Aromatic
C11	N15	sing	1.37Å	1.39Å	Aromatic
C11	C10	doub	1.41Å	1.39Å	Aromatic
N15	N14	sing	1.40Å	1.29Å	Aromatic
N14	C13	doub	1.31Å	1.28Å	Aromatic
C13	C10	sing	1.47Å	1.45Å	Aromatic
C13	C16	sing	1.47Å	1.47Å
C16	C17	doub	1.34Å	1.40Å
C17	C02	sing	1.47Å	1.50Å
C02	N03	doub	1.33Å	1.35Å	Aromatic
C02	C01	sing	1.40Å	1.42Å	Aromatic
N03	C04	sing	1.32Å	1.36Å	Aromatic
C04	C05	doub	1.38Å	1.41Å	Aromatic
C05	C06	sing	1.39Å	1.41Å	Aromatic
C06	C01	doub	1.38Å	1.42Å	Aromatic
N82	H82	sing	0.97Å	1.00Å
C88	H881	sing	1.09Å	1.10Å
C88	H882	sing	1.09Å	1.10Å
C88	H883	sing	1.09Å	1.10Å
C22	H22	sing	1.08Å	1.08Å
C21	H21	sing	1.08Å	1.08Å
C20	H20	sing	1.08Å	1.08Å
C19	H19	sing	1.08Å	1.08Å
C08	H08	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C09	H09	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å
C17	H17	sing	1.08Å	1.08Å
C01	H01	sing	1.08Å	1.08Å
C04	H04	sing	1.08Å	1.08Å
C05	H05	sing	1.08Å	1.08Å
C06	H06	sing	1.08Å	1.08Å
N15	H1	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O81	C80	N82	120.6°	120.0°
O81	C80	C23	119.0°	120.0°
N82	C80	C23	120.3°	120.1°
C80	N82	C88	124.1°	120.0°
C80	N82	H82	118.0°	120.0°
C80	C23	C22	116.6°	120.2°
C80	C23	C18	124.5°	120.3°
C88	N82	H82	118.0°	120.0°
N82	C88	H881	109.5°	109.5°
N82	C88	H882	109.4°	109.4°
N82	C88	H883	109.5°	109.5°
C22	C23	C18	119.0°	119.5°
C23	C22	C21	122.7°	119.9°
C23	C22	H22	118.7°	120.0°
C23	C18	C19	117.8°	119.7°
C23	C18	S24	123.7°	120.2°
C22	C21	C20	118.2°	120.4°
C21	C22	H22	118.6°	120.0°
C22	C21	H21	120.9°	119.8°
C21	C20	C19	120.3°	120.4°
C20	C21	H21	120.9°	119.8°
C21	C20	H20	119.9°	119.8°
C20	C19	C18	122.0°	120.1°
C19	C20	H20	119.8°	119.8°
C20	C19	H19	119.0°	119.9°
C19	C18	S24	118.4°	120.2°
C18	C19	H19	119.0°	120.0°
C18	S24	C07	108.1°	103.0°
S24	C07	C08	120.2°	119.7°
S24	C07	C12	120.1°	119.8°
C08	C07	C12	119.6°	120.5°
C07	C08	C09	121.3°	120.5°
C07	C08	H08	119.3°	119.7°
C07	C12	C11	118.9°	119.6°
C07	C12	H12	120.5°	120.2°
C08	C09	C10	116.6°	119.9°
C09	C08	H08	119.4°	119.8°
C08	C09	H09	121.7°	120.0°
C09	C10	C11	121.7°	120.0°
C09	C10	C13	135.7°	133.8°
C10	C09	H09	121.7°	120.1°
C12	C11	N15	130.4°	133.5°
C12	C11	C10	121.9°	119.5°
C11	C12	H12	120.6°	120.1°
N15	C11	C10	107.7°	107.0°
C11	N15	N14	109.1°	109.4°
C11	N15	H1	125.4°	125.4°
C11	C10	C13	102.6°	106.2°
N15	N14	C13	111.4°	109.9°
N14	N15	H1	125.5°	125.3°
N14	C13	C10	109.2°	107.5°
N14	C13	C16	121.1°	126.2°
C10	C13	C16	129.6°	126.2°
C13	C16	C17	128.1°	120.0°
C13	C16	H16	115.9°	120.0°
C16	C17	C02	123.5°	120.0°
C17	C16	H16	116.0°	120.0°
C16	C17	H17	118.3°	120.0°
C17	C02	N03	115.1°	119.7°
C17	C02	C01	122.7°	119.8°
C02	C17	H17	118.3°	120.0°
N03	C02	C01	122.1°	120.5°
C02	N03	C04	120.6°	121.6°
C02	C01	C06	117.5°	119.1°
C02	C01	H01	121.2°	120.5°
N03	C04	C05	120.9°	120.9°
N03	C04	H04	119.5°	119.5°
C04	C05	C06	119.1°	119.4°
C05	C04	H04	119.5°	119.5°
C04	C05	H05	120.4°	120.3°
C05	C06	C01	119.8°	118.5°
C06	C05	H05	120.4°	120.3°
C05	C06	H06	120.1°	120.7°
C06	C01	H01	121.3°	120.5°
C01	C06	H06	120.1°	120.8°
H881	C88	H882	109.5°	109.5°
H881	C88	H883	109.5°	109.5°
H882	C88	H883	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O81	C80	N82	C23	178.6°	179.6°
O81	C80	N82	C88	5.1°	0.1°
O81	C80	C23	C22	141.4°	180.0°
O81	C80	C23	C18	37.6°	0.2°
O81	C80	N82	H82	174.8°	180.0°
C80	N82	C88	H82	180.0°	179.9°
N82	C80	C23	C22	37.2°	0.3°
N82	C80	C23	C18	143.8°	179.4°
C80	N82	C88	H881	180.0°	59.9°
C80	N82	C88	H882	60.0°	60.1°
C80	N82	C88	H883	60.0°	180.0°
C23	C80	N82	C88	173.5°	179.7°
C80	C23	C22	C18	179.1°	179.8°
C80	C23	C22	C21	179.8°	180.0°
C80	C23	C18	C19	179.9°	179.7°
C80	C23	C18	S24	1.9°	0.1°
C23	C80	N82	H82	6.5°	0.4°
C80	C23	C22	H22	0.2°	0.0°
N82	C88	H881	H882	120.0°	120.0°
N82	C88	H881	H883	120.0°	120.1°
N82	C88	H882	H883	120.0°	120.0°
C23	C22	C21	H22	180.0°	180.0°
C23	C22	C21	C20	0.7°	0.0°
C22	C23	C18	C19	1.1°	0.5°
C22	C23	C18	S24	179.1°	179.7°
C23	C22	C21	H21	179.2°	180.0°
C18	C23	C22	C21	0.7°	0.3°
C23	C18	C19	C20	1.7°	0.5°
C23	C18	C19	S24	178.1°	179.8°
C23	C18	S24	C07	146.0°	174.3°
C18	C23	C22	H22	179.3°	179.7°
C23	C18	C19	H19	178.3°	179.7°
C22	C21	C20	H21	180.0°	180.0°
C22	C21	C20	C19	1.2°	0.0°
C22	C21	C20	H20	178.7°	180.0°
C21	C20	C19	H20	180.0°	180.0°
C21	C20	C19	C18	1.7°	0.3°
C20	C21	C22	H22	179.3°	180.0°
C21	C20	C19	H19	178.2°	179.9°
C20	C19	C18	H19	180.0°	179.8°
C20	C19	C18	S24	179.7°	179.7°
C19	C20	C21	H21	178.8°	180.0°
C19	C18	S24	C07	36.1°	5.5°
C18	C19	C20	H20	178.2°	179.7°
C18	S24	C07	C08	133.9°	94.9°
C18	S24	C07	C12	46.0°	85.4°
S24	C18	C19	H19	0.2°	0.1°
S24	C07	C08	C12	180.0°	179.7°
S24	C07	C08	C09	179.4°	180.0°
S24	C07	C12	C11	179.8°	179.9°
S24	C07	C08	H08	0.6°	0.0°
S24	C07	C12	H12	0.3°	0.0°
C07	C08	C09	H08	180.0°	180.0°
C07	C08	C09	C10	0.7°	0.0°
C08	C07	C12	C11	0.3°	0.2°
C08	C07	C12	H12	179.7°	179.7°
C07	C08	C09	H09	179.2°	180.0°
C12	C07	C08	C09	0.7°	0.3°
C07	C12	C11	H12	180.0°	180.0°
C07	C12	C11	N15	179.2°	179.9°
C07	C12	C11	C10	0.0°	0.0°
C12	C07	C08	H08	179.3°	179.7°
C08	C09	C10	H09	180.0°	180.0°
C08	C09	C10	C11	0.5°	0.2°
C08	C09	C10	C13	178.4°	179.9°
C09	C10	C11	C12	0.1°	0.3°
C09	C10	C11	N15	179.3°	179.8°
C09	C10	C11	C13	178.5°	179.8°
C09	C10	C13	N14	178.1°	179.7°
C09	C10	C13	C16	0.7°	0.2°
C10	C09	C08	H08	179.3°	180.0°
C12	C11	N15	C10	179.2°	179.9°
C12	C11	N15	N14	177.9°	179.9°
C12	C11	C10	C13	178.6°	179.9°
C12	C11	N15	H1	2.2°	0.1°
C11	N15	N14	H1	180.0°	180.0°
C11	N15	N14	C13	1.5°	0.0°
N15	C11	C10	C13	0.7°	0.0°
N15	C11	C12	H12	0.8°	0.1°
C10	C11	N15	N14	1.4°	0.0°
C11	C10	C13	N14	0.2°	0.0°
C11	C10	C13	C16	177.5°	179.9°
C10	C11	C12	H12	180.0°	180.0°
C11	C10	C09	H09	179.5°	179.8°
C10	C11	N15	H1	178.6°	180.0°
N15	N14	C13	C10	1.1°	0.0°
N15	N14	C13	C16	178.7°	180.0°
N14	C13	C10	C16	177.3°	180.0°
N14	C13	C16	C17	176.2°	0.1°
N14	C13	C16	H16	3.8°	179.9°
C13	N14	N15	H1	178.4°	180.0°
C10	C13	C16	C17	6.7°	180.0°
C13	C10	C09	H09	1.6°	0.1°
C10	C13	C16	H16	173.3°	0.0°
C13	C16	C17	H16	180.0°	180.0°
C13	C16	C17	C02	180.0°	180.0°
C13	C16	C17	H17	0.0°	0.1°
C16	C17	C02	H17	180.0°	179.9°
C16	C17	C02	N03	178.2°	0.1°
C16	C17	C02	C01	2.1°	179.7°
C17	C02	N03	C01	179.8°	179.8°
C17	C02	N03	C04	180.0°	180.0°
C17	C02	C01	C06	180.0°	179.7°
C02	C17	C16	H16	0.0°	0.1°
C17	C02	C01	H01	0.0°	0.0°
C02	N03	C04	C05	0.3°	0.0°
N03	C02	C01	C06	0.2°	0.6°
N03	C02	C17	H17	1.8°	180.0°
N03	C02	C01	H01	179.8°	179.8°
C02	N03	C04	H04	179.7°	180.0°
C01	C02	N03	C04	0.2°	0.2°
C02	C01	C06	C05	0.2°	0.6°
C02	C01	C06	H01	180.0°	179.7°
C01	C02	C17	H17	177.9°	0.2°
C02	C01	C06	H06	179.8°	179.7°
N03	C04	C05	H04	180.0°	180.0°
N03	C04	C05	C06	0.2°	0.0°
N03	C04	C05	H05	179.7°	179.9°
C04	C05	C06	H05	180.0°	179.9°
C04	C05	C06	C01	0.2°	0.3°
C04	C05	C06	H06	179.8°	180.0°
C05	C06	C01	H06	180.0°	179.8°
C05	C06	C01	H01	179.8°	179.8°
C06	C05	C04	H04	179.8°	180.0°
C01	C06	C05	H05	179.7°	179.8°
H82	N82	C88	H881	0.1°	119.9°
H82	N82	C88	H882	120.0°	120.1°
H82	N82	C88	H883	120.0°	0.1°
H881	C88	H882	H883	120.0°	120.0°
H22	C22	C21	H21	0.8°	0.0°
H21	C21	C20	H20	1.3°	0.1°
H20	C20	C19	H19	1.8°	0.1°
H08	C08	C09	H09	0.7°	0.0°
H16	C16	C17	H17	180.0°	179.9°
H01	C01	C06	H06	0.2°	0.0°
H04	C04	C05	H05	0.3°	0.1°
H05	C05	C06	H06	0.3°	0.0°

Release date:	2012-09-21
Definition date:	2012-01-24
Last modified:	2024-07-30
Release status:	REL
Processing site:	EBI
Derived from:	4AG8