YU3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O25	S23	doub	1.42Å	1.45Å
S23	O26	doub	1.42Å	1.47Å
S23	C24	sing	1.81Å	1.80Å
S23	C22	sing	1.81Å	1.82Å
C22	C21	sing	1.51Å	1.53Å
C21	C20	doub	1.38Å	1.39Å	Aromatic
C21	C27	sing	1.39Å	1.38Å	Aromatic
F28	C27	sing	1.35Å	1.36Å
C20	C19	sing	1.38Å	1.39Å	Aromatic
C27	C29	doub	1.38Å	1.39Å	Aromatic
C19	C18	doub	1.40Å	1.38Å	Aromatic
C29	C18	sing	1.40Å	1.39Å	Aromatic
C18	C17	sing	1.48Å	1.50Å
O15	C14	doub	1.22Å	1.30Å
C14	C13	sing	1.47Å	1.50Å
C14	O16	sing	1.35Å	1.25Å
C17	C13	doub	1.38Å	1.39Å	Aromatic
C17	C30	sing	1.47Å	1.40Å	Aromatic
C13	N12	sing	1.38Å	1.32Å	Aromatic
C30	C31	doub	1.40Å	1.39Å	Aromatic
C30	C11	sing	1.41Å	1.38Å	Aromatic
C31	C32	sing	1.37Å	1.38Å	Aromatic
N12	C11	sing	1.37Å	1.34Å	Aromatic
C11	C10	doub	1.39Å	1.40Å	Aromatic
C32	C33	doub	1.39Å	1.40Å	Aromatic
O09	C08	doub	1.22Å	1.17Å
C10	C33	sing	1.38Å	1.39Å	Aromatic
C10	C02	sing	1.51Å	1.55Å
C08	N07	sing	1.35Å	1.46Å
C08	C03	sing	1.41Å	1.45Å
N07	C06	sing	1.36Å	1.48Å
C02	C03	sing	1.51Å	1.46Å
C02	C01	sing	1.53Å	1.51Å
C03	C04	doub	1.36Å	1.44Å
C06	C05	doub	1.35Å	1.49Å
C04	C05	sing	1.40Å	1.47Å
C01	H013	sing	1.09Å	1.10Å
C01	H012	sing	1.09Å	1.10Å
C01	H011	sing	1.09Å	1.10Å
C02	H021	sing	1.09Å	1.10Å
C04	H041	sing	1.08Å	1.08Å
C05	H051	sing	1.08Å	1.08Å
C06	H061	sing	1.08Å	1.08Å
C19	H191	sing	1.08Å	1.08Å
C20	H201	sing	1.08Å	1.08Å
C22	H221	sing	1.09Å	1.10Å
C22	H222	sing	1.09Å	1.10Å
C24	H243	sing	1.09Å	1.10Å
C24	H242	sing	1.09Å	1.10Å
C24	H241	sing	1.09Å	1.10Å
C29	H291	sing	1.08Å	1.08Å
C31	H311	sing	1.08Å	1.08Å
C32	H321	sing	1.08Å	1.08Å
C33	H331	sing	1.08Å	1.08Å
N07	H071	sing	0.97Å	1.00Å
N12	H121	sing	0.97Å	1.00Å
O16	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O25	S23	O26	114.7°	119.2°
O25	S23	C24	110.1°	108.5°
O25	S23	C22	108.6°	108.6°
O26	S23	C24	107.3°	108.6°
O26	S23	C22	109.2°	108.6°
C24	S23	C22	106.6°	102.0°
S23	C24	H243	109.5°	109.5°
S23	C24	H242	109.5°	109.5°
S23	C24	H241	109.5°	109.5°
S23	C22	C21	112.8°	109.5°
S23	C22	H221	108.6°	109.5°
S23	C22	H222	108.6°	109.5°
C22	C21	C20	121.9°	119.9°
C22	C21	C27	119.8°	119.9°
C21	C22	H221	108.6°	109.5°
C21	C22	H222	108.6°	109.5°
C20	C21	C27	118.3°	120.3°
C21	C20	C19	121.5°	120.2°
C21	C20	H201	119.3°	119.9°
C21	C27	F28	118.8°	120.0°
C21	C27	C29	121.2°	120.1°
F28	C27	C29	120.0°	119.9°
C20	C19	C18	119.2°	119.9°
C20	C19	H191	120.4°	120.1°
C19	C20	H201	119.3°	119.9°
C27	C29	C18	119.7°	119.8°
C27	C29	H291	120.2°	120.1°
C19	C18	C29	120.1°	119.7°
C19	C18	C17	121.8°	120.1°
C18	C19	H191	120.4°	120.0°
C29	C18	C17	118.0°	120.1°
C18	C29	H291	120.2°	120.0°
C18	C17	C13	127.3°	126.8°
C18	C17	C30	128.0°	126.7°
O15	C14	C13	114.8°	120.0°
O15	C14	O16	124.0°	120.0°
C13	C14	O16	120.1°	120.0°
C14	C13	C17	129.6°	125.5°
C14	C13	N12	119.8°	125.5°
C14	O16	H1	109.5°	114.0°
C13	C17	C30	104.6°	106.5°
C17	C13	N12	110.5°	109.0°
C17	C30	C31	133.4°	133.6°
C17	C30	C11	107.5°	106.4°
C13	N12	C11	108.9°	110.1°
C13	N12	H121	125.6°	124.9°
C31	C30	C11	119.1°	120.0°
C30	C31	C32	119.7°	119.8°
C30	C31	H311	120.2°	120.1°
C30	C11	N12	108.6°	108.0°
C30	C11	C10	121.9°	119.2°
C31	C32	C33	121.3°	120.5°
C32	C31	H311	120.2°	120.1°
C31	C32	H321	119.4°	119.7°
N12	C11	C10	129.5°	132.8°
C11	N12	H121	125.6°	124.9°
C11	C10	C33	118.4°	119.8°
C11	C10	C02	117.0°	120.1°
C32	C33	C10	119.7°	120.7°
C33	C32	H321	119.4°	119.8°
C32	C33	H331	120.2°	119.6°
O09	C08	N07	125.4°	120.0°
O09	C08	C03	118.8°	119.9°
C33	C10	C02	124.5°	120.1°
C10	C33	H331	120.2°	119.7°
C10	C02	C03	110.9°	109.5°
C10	C02	C01	111.4°	109.5°
C10	C02	H021	107.9°	109.5°
N07	C08	C03	115.8°	120.0°
C08	N07	C06	124.4°	120.7°
C08	N07	H071	117.8°	119.6°
C08	C03	C02	118.1°	120.3°
C08	C03	C04	121.6°	119.3°
N07	C06	C05	117.9°	120.7°
N07	C06	H061	121.1°	119.6°
C06	N07	H071	117.8°	119.6°
C03	C02	C01	109.1°	109.4°
C02	C03	C04	120.3°	120.4°
C03	C02	H021	109.0°	109.5°
C02	C01	H013	109.5°	109.4°
C02	C01	H012	109.5°	109.5°
C02	C01	H011	109.4°	109.4°
C01	C02	H021	108.5°	109.4°
C03	C04	C05	123.3°	119.3°
C03	C04	H041	118.3°	120.4°
C06	C05	C04	116.8°	120.0°
C06	C05	H051	121.6°	120.0°
C05	C06	H061	121.1°	119.7°
C05	C04	H041	118.3°	120.3°
C04	C05	H051	121.6°	120.0°
H013	C01	H012	109.5°	109.5°
H013	C01	H011	109.5°	109.5°
H012	C01	H011	109.4°	109.5°
H221	C22	H222	109.5°	109.4°
H243	C24	H242	109.5°	109.4°
H243	C24	H241	109.5°	109.5°
H242	C24	H241	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O25	S23	O26	C24	122.7°	124.9°
O25	S23	O26	C22	122.1°	125.0°
O25	S23	C24	C22	117.6°	114.5°
O25	S23	C22	C21	177.7°	65.5°
O25	S23	C22	H221	57.2°	174.4°
O25	S23	C22	H222	61.8°	54.5°
O25	S23	C24	H243	180.0°	65.5°
O25	S23	C24	H242	60.0°	174.5°
O25	S23	C24	H241	60.0°	54.5°
O26	S23	C24	C22	116.9°	114.5°
O26	S23	C22	C21	51.9°	65.5°
O26	S23	C22	H221	68.6°	54.6°
O26	S23	C22	H222	172.4°	174.5°
O26	S23	C24	H243	54.5°	65.4°
O26	S23	C24	H242	174.5°	54.6°
O26	S23	C24	H241	65.5°	174.5°
C24	S23	C22	C21	63.7°	180.0°
C24	S23	C22	H221	175.8°	60.0°
C24	S23	C22	H222	56.8°	60.0°
S23	C24	H243	H242	120.0°	120.0°
S23	C24	H243	H241	120.0°	120.0°
S23	C24	H242	H241	120.0°	120.0°
S23	C22	C21	H221	120.5°	120.0°
S23	C22	C21	H222	120.5°	120.0°
S23	C22	C21	C20	88.7°	90.0°
S23	C22	C21	C27	91.4°	90.0°
S23	C22	H221	H222	118.4°	120.0°
C22	S23	C24	H243	62.4°	180.0°
C22	S23	C24	H242	57.6°	60.0°
C22	S23	C24	H241	177.5°	60.0°
C22	C21	C20	C27	180.0°	180.0°
C22	C21	C27	F28	0.1°	0.0°
C22	C21	C20	C19	179.7°	180.0°
C22	C21	C27	C29	179.1°	179.8°
C22	C21	C20	H201	0.3°	0.1°
C21	C22	H221	H222	118.5°	120.0°
C20	C21	C27	F28	179.9°	180.0°
C21	C20	C19	H201	180.0°	179.9°
C20	C21	C27	C29	0.9°	0.3°
C21	C20	C19	C18	1.0°	0.1°
C21	C20	C19	H191	179.0°	180.0°
C20	C21	C22	H221	31.8°	149.9°
C20	C21	C22	H222	150.8°	30.0°
C21	C27	F28	C29	178.9°	179.8°
C27	C21	C20	C19	0.3°	0.0°
C21	C27	C29	C18	0.2°	0.5°
C27	C21	C20	H201	179.6°	180.0°
C27	C21	C22	H221	148.2°	30.0°
C27	C21	C22	H222	29.1°	150.0°
C21	C27	C29	H291	179.8°	180.0°
F28	C27	C29	C18	179.1°	179.7°
F28	C27	C29	H291	0.9°	0.2°
C20	C19	C18	H191	180.0°	180.0°
C20	C19	C18	C29	1.7°	0.3°
C20	C19	C18	C17	179.0°	180.0°
C27	C29	C18	C19	1.1°	0.5°
C27	C29	C18	H291	180.0°	179.5°
C27	C29	C18	C17	178.5°	179.8°
C19	C18	C29	C17	177.3°	179.7°
C19	C18	C17	C13	142.6°	65.0°
C19	C18	C17	C30	43.1°	115.0°
C18	C19	C20	H201	179.0°	180.0°
C19	C18	C29	H291	178.8°	179.9°
C29	C18	C17	C13	40.2°	115.3°
C29	C18	C17	C30	134.2°	64.7°
C29	C18	C19	H191	178.3°	179.7°
C18	C17	C13	C14	8.9°	0.2°
C18	C17	C13	C30	175.4°	180.0°
C18	C17	C13	N12	175.5°	180.0°
C18	C17	C30	C31	5.0°	0.1°
C18	C17	C30	C11	175.8°	180.0°
C17	C18	C19	H191	1.0°	0.0°
C17	C18	C29	H291	1.5°	0.2°
O15	C14	C13	O16	168.5°	180.0°
O15	C14	C13	C17	39.9°	0.3°
O15	C14	C13	N12	135.3°	180.0°
O15	C14	O16	H1	0.0°	0.0°
C14	C13	C17	N12	175.5°	179.7°
C14	C13	C17	C30	175.7°	179.7°
C14	C13	N12	C11	175.8°	179.7°
C14	C13	N12	H121	4.2°	0.0°
C13	C14	O16	H1	167.3°	180.0°
O16	C14	C13	C17	151.7°	179.7°
O16	C14	C13	N12	33.1°	0.0°
C13	C17	C30	C31	179.6°	180.0°
C13	C17	C30	C11	0.5°	0.0°
C17	C13	N12	C11	0.3°	0.0°
C17	C13	N12	H121	179.7°	179.7°
C30	C17	C13	N12	0.1°	0.0°
C17	C30	C31	C11	179.1°	179.9°
C17	C30	C31	C32	178.3°	180.0°
C17	C30	C11	N12	0.6°	0.0°
C17	C30	C11	C10	178.8°	180.0°
C17	C30	C31	H311	1.8°	0.1°
C13	N12	C11	C30	0.6°	0.0°
C13	N12	C11	H121	180.0°	179.8°
C13	N12	C11	C10	178.8°	180.0°
C30	C31	C32	H311	180.0°	179.9°
C31	C30	C11	N12	179.9°	180.0°
C31	C30	C11	C10	0.5°	0.0°
C30	C31	C32	C33	0.1°	0.1°
C30	C31	C32	H321	179.9°	179.9°
C11	C30	C31	C32	0.8°	0.1°
C30	C11	N12	C10	179.4°	180.0°
C30	C11	C10	C33	0.6°	0.0°
C30	C11	C10	C02	178.6°	180.0°
C11	C30	C31	H311	179.2°	180.0°
C30	C11	N12	H121	179.4°	179.7°
C31	C32	C33	H321	180.0°	179.8°
C31	C32	C33	C10	1.0°	0.1°
C31	C32	C33	H331	179.0°	180.0°
N12	C11	C10	C33	178.7°	180.0°
N12	C11	C10	C02	2.1°	0.0°
C11	C10	C33	C32	1.4°	0.0°
C11	C10	C33	C02	179.2°	179.9°
C11	C10	C02	C03	99.6°	121.8°
C11	C10	C02	C01	138.6°	118.3°
C11	C10	C02	H021	19.7°	1.7°
C11	C10	C33	H331	178.7°	179.9°
C10	C11	N12	H121	1.2°	0.3°
C32	C33	C10	H331	180.0°	180.0°
C32	C33	C10	C02	177.8°	179.9°
C33	C32	C31	H311	179.9°	180.0°
O09	C08	N07	C03	179.7°	179.5°
O09	C08	N07	C06	179.2°	180.0°
O09	C08	C03	C02	1.8°	0.2°
O09	C08	C03	C04	177.2°	180.0°
O09	C08	N07	H071	0.8°	0.5°
C33	C10	C02	C03	81.2°	58.3°
C33	C10	C02	C01	40.5°	61.7°
C33	C10	C02	H021	159.5°	178.3°
C10	C33	C32	H321	179.0°	179.9°
C10	C02	C03	C08	71.8°	75.9°
C10	C02	C03	C01	123.0°	120.0°
C10	C02	C03	H021	118.6°	120.1°
C10	C02	C01	H021	118.6°	120.0°
C10	C02	C03	C04	109.1°	104.3°
C10	C02	C01	H013	180.0°	60.0°
C10	C02	C01	H012	60.0°	180.0°
C10	C02	C01	H011	60.0°	60.0°
C02	C10	C33	H331	2.2°	0.0°
C08	N07	C06	H071	180.0°	179.5°
N07	C08	C03	C02	178.4°	179.7°
N07	C08	C03	C04	2.5°	0.5°
C08	N07	C06	C05	0.0°	0.2°
C08	N07	C06	H061	180.0°	179.7°
C03	C08	N07	C06	0.6°	0.5°
C08	C03	C02	C04	179.1°	179.8°
C08	C03	C02	C01	165.1°	164.1°
C08	C03	C04	C05	4.0°	0.2°
C08	C03	C02	H021	46.8°	44.2°
C08	C03	C04	H041	176.0°	179.8°
C03	C08	N07	H071	179.4°	180.0°
N07	C06	C05	H061	180.0°	179.9°
N07	C06	C05	C04	1.2°	0.1°
N07	C06	C05	H051	178.8°	179.9°
C03	C02	C01	H021	118.6°	120.0°
C02	C03	C04	C05	176.9°	180.0°
C03	C02	C01	H013	57.2°	180.0°
C03	C02	C01	H012	62.8°	60.0°
C03	C02	C01	H011	177.3°	60.0°
C02	C03	C04	H041	3.1°	0.0°
C01	C02	C03	C04	14.0°	15.7°
C02	C01	H013	H012	120.0°	120.0°
C02	C01	H013	H011	120.0°	119.9°
C02	C01	H012	H011	119.9°	120.0°
C03	C04	C05	C06	3.2°	0.1°
C03	C04	C05	H041	180.0°	180.0°
C04	C03	C02	H021	132.3°	135.6°
C03	C04	C05	H051	176.8°	179.9°
C06	C05	C04	H051	180.0°	179.9°
C06	C05	C04	H041	176.8°	180.0°
C05	C06	N07	H071	180.0°	179.7°
C04	C05	C06	H061	178.8°	180.0°
H013	C01	H012	H011	120.0°	120.1°
H013	C01	C02	H021	61.4°	60.0°
H012	C01	C02	H021	178.6°	60.0°
H011	C01	C02	H021	58.7°	180.0°
H041	C04	C05	H051	3.2°	0.1°
H051	C05	C06	H061	1.1°	0.1°
H061	C06	N07	H071	0.1°	0.2°
H191	C19	C20	H201	1.0°	0.0°
H243	C24	H242	H241	119.9°	119.9°
H311	C31	C32	H321	0.1°	0.2°
H321	C32	C33	H331	1.0°	0.2°

Release date:	2024-07-10
Definition date:	2023-06-21
Last modified:	2024-07-05
Release status:	REL
Processing site:	PDBE
Derived from:	8PGG