HXV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C02	C01	sing	1.53Å	1.55Å
C03	C02	sing	1.51Å	1.51Å
N04	C03	doub	1.33Å	1.35Å	Aromatic
C05	N04	sing	1.32Å	1.33Å	Aromatic
N06	C05	sing	1.39Å	1.34Å
N07	C05	doub	1.32Å	1.34Å	Aromatic
C08	N07	sing	1.33Å	1.32Å	Aromatic
N09	C08	sing	1.39Å	1.34Å
C10	C08	doub	1.40Å	1.41Å	Aromatic
O11	C10	sing	1.36Å	1.39Å
C12	O11	sing	1.43Å	1.46Å
C13	C12	sing	1.53Å	1.52Å
C14	C13	sing	1.53Å	1.54Å
C15	C14	sing	1.53Å	1.53Å
O16	C15	sing	1.43Å	1.45Å
C17	O16	sing	1.36Å	1.37Å
C18	C17	doub	1.39Å	1.40Å	Aromatic
C20	C19	sing	1.53Å	1.56Å
C21	C20	sing	1.51Å	1.49Å
N22	C21	doub	1.31Å	1.31Å	Aromatic
N23	N22	sing	1.29Å	1.41Å	Aromatic
N24	N23	doub	1.29Å	1.28Å	Aromatic
N25	N24	sing	1.29Å	1.39Å	Aromatic
C19	C18	sing	1.51Å	1.52Å
C26	C18	sing	1.38Å	1.38Å	Aromatic
C27	C26	doub	1.38Å	1.39Å	Aromatic
C28	C27	sing	1.38Å	1.38Å	Aromatic
C29	C28	doub	1.38Å	1.39Å	Aromatic
C03	C10	sing	1.38Å	1.37Å	Aromatic
C17	C29	sing	1.39Å	1.39Å	Aromatic
C21	N25	sing	1.35Å	1.35Å	Aromatic
C13	H132	sing	1.09Å	1.10Å
C13	H131	sing	1.09Å	1.10Å
C15	H151	sing	1.09Å	1.10Å
C15	H152	sing	1.09Å	1.10Å
C20	H201	sing	1.09Å	1.10Å
C20	H202	sing	1.09Å	1.10Å
C26	H261	sing	1.08Å	1.08Å
C28	H281	sing	1.08Å	1.08Å
C01	H013	sing	1.09Å	1.10Å
C01	H011	sing	1.09Å	1.10Å
C01	H012	sing	1.09Å	1.10Å
C02	H021	sing	1.09Å	1.10Å
C02	H022	sing	1.09Å	1.10Å
C12	H121	sing	1.09Å	1.10Å
C12	H122	sing	1.09Å	1.10Å
C14	H142	sing	1.09Å	1.10Å
C14	H141	sing	1.09Å	1.10Å
C19	H192	sing	1.09Å	1.10Å
C19	H191	sing	1.09Å	1.10Å
C27	H271	sing	1.08Å	1.08Å
C29	H291	sing	1.08Å	1.08Å
N06	H062	sing	0.97Å	1.00Å
N06	H061	sing	0.97Å	1.00Å
N09	H091	sing	0.97Å	1.00Å
N09	H092	sing	0.97Å	1.00Å
N25	H251	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	C02	C03	110.4°	109.4°
C02	C01	H013	109.5°	109.5°
C02	C01	H011	109.5°	109.5°
C02	C01	H012	109.5°	109.4°
C01	C02	H021	109.2°	109.5°
C01	C02	H022	109.2°	109.5°
C02	C03	N04	117.2°	120.4°
C02	C03	C10	122.2°	120.4°
C03	C02	H021	109.2°	109.5°
C03	C02	H022	109.2°	109.5°
C03	N04	C05	118.2°	121.0°
N04	C03	C10	120.7°	119.2°
N04	C05	N06	118.4°	119.1°
N04	C05	N07	125.0°	121.7°
N06	C05	N07	116.6°	119.2°
C05	N06	H062	109.5°	120.0°
C05	N06	H061	109.5°	120.0°
C05	N07	C08	117.2°	120.7°
N07	C08	N09	118.6°	120.5°
N07	C08	C10	121.4°	119.0°
N09	C08	C10	120.0°	120.5°
C08	N09	H091	109.5°	120.0°
C08	N09	H092	109.5°	120.0°
C08	C10	O11	118.1°	120.8°
C08	C10	C03	117.6°	118.4°
C10	O11	C12	116.2°	117.0°
O11	C10	C03	124.2°	120.8°
O11	C12	C13	104.8°	109.5°
O11	C12	H121	110.6°	109.5°
O11	C12	H122	110.6°	109.5°
C12	C13	C14	110.0°	109.5°
C12	C13	H132	109.3°	109.5°
C12	C13	H131	109.3°	109.5°
C13	C12	H121	110.6°	109.4°
C13	C12	H122	110.6°	109.4°
C13	C14	C15	110.7°	109.4°
C14	C13	H132	109.3°	109.5°
C14	C13	H131	109.3°	109.4°
C13	C14	H142	109.1°	109.5°
C13	C14	H141	109.2°	109.4°
C14	C15	O16	106.3°	109.5°
C14	C15	H151	110.3°	109.5°
C14	C15	H152	110.3°	109.5°
C15	C14	H142	109.2°	109.5°
C15	C14	H141	109.2°	109.5°
C15	O16	C17	121.8°	117.0°
O16	C15	H151	110.2°	109.4°
O16	C15	H152	110.3°	109.5°
O16	C17	C18	115.9°	120.0°
O16	C17	C29	123.9°	120.1°
C17	C18	C19	119.8°	120.1°
C17	C18	C26	118.3°	119.9°
C18	C17	C29	120.2°	119.9°
C19	C20	C21	112.2°	109.5°
C20	C19	C18	113.5°	109.5°
C19	C20	H201	108.8°	109.5°
C19	C20	H202	108.8°	109.5°
C20	C19	H192	108.5°	109.5°
C20	C19	H191	108.4°	109.5°
C20	C21	N22	126.2°	126.7°
C20	C21	N25	124.9°	126.7°
C21	C20	H201	108.8°	109.5°
C21	C20	H202	108.8°	109.5°
C21	N22	N23	106.3°	108.0°
N22	C21	N25	108.9°	106.7°
N22	N23	N24	110.0°	109.4°
N23	N24	N25	106.6°	108.8°
N24	N25	C21	108.2°	107.1°
N24	N25	H251	125.9°	126.4°
C19	C18	C26	121.9°	120.0°
C18	C19	H192	108.4°	109.4°
C18	C19	H191	108.4°	109.5°
C18	C26	C27	122.0°	120.0°
C18	C26	H261	119.0°	120.0°
C26	C27	C28	119.2°	120.1°
C27	C26	H261	119.0°	120.0°
C26	C27	H271	120.4°	120.0°
C27	C28	C29	119.6°	120.1°
C27	C28	H281	120.2°	119.9°
C28	C27	H271	120.4°	119.9°
C28	C29	C17	120.6°	119.9°
C29	C28	H281	120.2°	120.0°
C28	C29	H291	119.7°	120.0°
C17	C29	H291	119.7°	120.1°
C21	N25	H251	125.9°	126.4°
H132	C13	H131	109.5°	109.5°
H151	C15	H152	109.5°	109.4°
H201	C20	H202	109.5°	109.5°
H013	C01	H011	109.5°	109.5°
H013	C01	H012	109.5°	109.5°
H011	C01	H012	109.5°	109.5°
H021	C02	H022	109.5°	109.5°
H121	C12	H122	109.5°	109.5°
H142	C14	H141	109.5°	109.5°
H192	C19	H191	109.5°	109.4°
H062	N06	H061	109.5°	120.0°
H091	N09	H092	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C02	C03	H021	120.1°	120.0°
C01	C02	C03	H022	120.1°	120.0°
C01	C02	C03	N04	61.9°	88.9°
C01	C02	C03	C10	117.7°	91.1°
C02	C01	H013	H011	120.0°	120.0°
C02	C01	H013	H012	120.0°	119.9°
C02	C01	H011	H012	120.0°	120.0°
C01	C02	H021	H022	119.6°	120.0°
C02	C03	N04	C10	179.6°	180.0°
C02	C03	N04	C05	179.8°	180.0°
C02	C03	C10	C08	179.6°	180.0°
C02	C03	C10	O11	0.7°	0.3°
C03	C02	C01	H013	180.0°	55.6°
C03	C02	C01	H011	60.0°	64.5°
C03	C02	C01	H012	60.0°	175.6°
C03	C02	H021	H022	119.6°	120.0°
C03	N04	C05	N06	179.6°	180.0°
C03	N04	C05	N07	0.6°	0.0°
N04	C03	C10	C08	0.0°	0.0°
N04	C03	C10	O11	179.8°	179.7°
N04	C03	C02	H021	58.3°	31.1°
N04	C03	C02	H022	178.0°	151.1°
N04	C05	N06	N07	179.8°	180.0°
N04	C05	N07	C08	0.0°	0.0°
C05	N04	C03	C10	0.6°	0.0°
N04	C05	N06	H062	0.0°	0.0°
N04	C05	N06	H061	120.0°	180.0°
N06	C05	N07	C08	179.8°	180.0°
C05	N06	H062	H061	120.0°	179.9°
C05	N07	C08	N09	179.9°	179.9°
C05	N07	C08	C10	0.6°	0.0°
N07	C05	N06	H062	179.8°	180.0°
N07	C05	N06	H061	60.2°	0.1°
N07	C08	N09	C10	179.3°	179.9°
N07	C08	C10	O11	179.1°	179.7°
N07	C08	C10	C03	0.6°	0.0°
N07	C08	N09	H091	0.0°	180.0°
N07	C08	N09	H092	120.0°	0.1°
N09	C08	C10	O11	0.1°	0.2°
N09	C08	C10	C03	179.8°	179.9°
C08	N09	H091	H092	120.0°	179.9°
C08	C10	O11	C03	179.7°	179.7°
C08	C10	O11	C12	87.6°	86.3°
C10	C08	N09	H091	179.3°	0.0°
C10	C08	N09	H092	59.3°	180.0°
C10	O11	C12	C13	177.4°	175.3°
C10	O11	C12	H121	63.4°	55.3°
C10	O11	C12	H122	58.1°	64.8°
O11	C12	C13	H121	119.2°	120.0°
O11	C12	C13	H122	119.3°	120.0°
O11	C12	C13	C14	165.0°	180.0°
C12	O11	C10	C03	92.7°	93.4°
O11	C12	C13	H132	44.9°	60.0°
O11	C12	C13	H131	74.9°	60.0°
O11	C12	H121	H122	122.2°	120.0°
C12	C13	C14	H132	120.1°	120.1°
C12	C13	C14	H131	120.1°	120.0°
C12	C13	C14	C15	59.5°	180.0°
C12	C13	H132	H131	119.7°	120.0°
C13	C12	H121	H122	122.1°	120.0°
C12	C13	C14	H142	60.7°	60.0°
C12	C13	C14	H141	179.7°	60.0°
C13	C14	C15	H142	120.2°	120.0°
C13	C14	C15	H141	120.2°	119.9°
C13	C14	C15	O16	61.3°	179.9°
C14	C13	H132	H131	119.7°	119.9°
C13	C14	C15	H151	58.1°	60.0°
C13	C14	C15	H152	179.2°	60.0°
C14	C13	C12	H121	75.7°	60.0°
C14	C13	C12	H122	45.7°	60.0°
C13	C14	H142	H141	119.4°	119.9°
C14	C15	O16	H151	119.5°	120.0°
C14	C15	O16	H152	119.5°	120.1°
C14	C15	O16	C17	167.3°	180.0°
C15	C14	C13	H132	179.6°	59.9°
C15	C14	C13	H131	60.6°	60.0°
C14	C15	H151	H152	121.5°	120.1°
C15	C14	H142	H141	119.4°	120.1°
C15	O16	C17	C18	178.8°	179.8°
C15	O16	C17	C29	0.7°	0.0°
O16	C15	H151	H152	121.5°	120.0°
O16	C15	C14	H142	178.5°	60.1°
O16	C15	C14	H141	58.8°	60.0°
O16	C17	C18	C29	179.5°	179.7°
O16	C17	C18	C19	0.6°	0.0°
O16	C17	C18	C26	179.8°	180.0°
O16	C17	C29	C28	180.0°	180.0°
C17	O16	C15	H151	73.3°	60.0°
C17	O16	C15	H152	47.8°	59.9°
O16	C17	C29	H291	0.0°	0.0°
C17	C18	C19	C20	74.5°	85.0°
C17	C18	C19	C26	179.6°	179.9°
C17	C18	C26	C27	0.1°	0.1°
C18	C17	C29	C28	0.5°	0.3°
C17	C18	C26	H261	179.9°	180.0°
C17	C18	C19	H192	46.1°	35.1°
C17	C18	C19	H191	164.9°	155.0°
C18	C17	C29	H291	179.5°	179.7°
C19	C20	C21	H201	120.4°	120.0°
C19	C20	C21	H202	120.4°	120.0°
C19	C20	C21	N22	123.9°	54.7°
C20	C19	C18	H192	120.6°	120.0°
C20	C19	C18	H191	120.6°	120.1°
C20	C19	C18	C26	105.9°	95.0°
C19	C20	C21	N25	55.9°	125.0°
C19	C20	H201	H202	118.8°	120.0°
C20	C19	H192	H191	118.2°	120.0°
C20	C21	N22	N25	179.8°	179.8°
C20	C21	N22	N23	180.0°	180.0°
C20	C21	N25	N24	179.9°	179.9°
C21	C20	C19	C18	64.9°	180.0°
C21	C20	H201	H202	118.7°	120.0°
C21	C20	C19	H192	174.6°	60.0°
C21	C20	C19	H191	55.7°	60.0°
C20	C21	N25	H251	0.1°	0.0°
C21	N22	N23	N24	0.2°	0.1°
N22	C21	N25	N24	0.1°	0.4°
N22	C21	C20	H201	115.7°	65.3°
N22	C21	C20	H202	3.5°	174.7°
N22	C21	N25	H251	179.9°	179.7°
N22	N23	N24	N25	0.1°	0.3°
N23	N22	C21	N25	0.2°	0.2°
N23	N24	N25	C21	0.0°	0.4°
N23	N24	N25	H251	180.0°	179.7°
N24	N25	C21	H251	180.0°	179.9°
C19	C18	C26	C27	179.7°	180.0°
C19	C18	C17	C29	179.9°	179.7°
C18	C19	C20	H201	174.7°	60.1°
C18	C19	C20	H202	55.5°	60.0°
C19	C18	C26	H261	0.3°	0.1°
C18	C19	H192	H191	118.2°	120.0°
C18	C26	C27	H261	180.0°	179.9°
C18	C26	C27	C28	0.1°	0.3°
C26	C18	C17	C29	0.3°	0.2°
C26	C18	C19	H192	133.5°	145.0°
C26	C18	C19	H191	14.7°	25.1°
C18	C26	C27	H271	179.9°	179.6°
C26	C27	C28	H271	180.0°	180.0°
C26	C27	C28	C29	0.3°	0.3°
C26	C27	C28	H281	179.7°	180.0°
C27	C28	C29	H281	180.0°	179.7°
C27	C28	C29	C17	0.5°	0.0°
C28	C27	C26	H261	179.9°	179.8°
C27	C28	C29	H291	179.5°	180.0°
C28	C29	C17	H291	180.0°	180.0°
C29	C28	C27	H271	179.7°	179.7°
C10	C03	C02	H021	122.2°	148.9°
C10	C03	C02	H022	2.5°	28.9°
C17	C29	C28	H281	179.5°	179.7°
N25	C21	C20	H201	64.5°	115.0°
N25	C21	C20	H202	176.3°	5.1°
H132	C13	C12	H121	164.2°	60.0°
H132	C13	C12	H122	74.4°	180.0°
H132	C13	C14	H142	59.4°	180.0°
H132	C13	C14	H141	60.2°	60.0°
H131	C13	C12	H121	44.3°	180.0°
H131	C13	C12	H122	165.8°	60.0°
H131	C13	C14	H142	179.2°	60.0°
H131	C13	C14	H141	59.6°	180.0°
H151	C15	C14	H142	62.0°	180.0°
H151	C15	C14	H141	178.3°	59.9°
H152	C15	C14	H142	59.0°	60.0°
H152	C15	C14	H141	60.6°	179.9°
H201	C20	C19	H192	54.2°	180.0°
H201	C20	C19	H191	64.7°	60.0°
H202	C20	C19	H192	65.0°	60.0°
H202	C20	C19	H191	176.1°	180.0°
H261	C26	C27	H271	0.1°	0.3°
H281	C28	C27	H271	0.3°	0.0°
H281	C28	C29	H291	0.5°	0.3°
H013	C01	H011	H012	120.0°	120.0°
H013	C01	C02	H021	59.8°	64.4°
H013	C01	C02	H022	59.9°	175.6°
H011	C01	C02	H021	60.2°	175.6°
H011	C01	C02	H022	179.9°	55.6°
H012	C01	C02	H021	179.9°	55.6°
H012	C01	C02	H022	60.1°	64.4°

Release date:	2022-02-09
Definition date:	2022-01-03
Last modified:	2022-02-04
Release status:	REL
Processing site:	RCSB
Derived from:	5SD6