YA5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O03	C02	doub	1.22Å	1.24Å
C02	O01	sing	1.35Å	1.23Å
C02	C04	sing	1.47Å	1.56Å
C05	C04	doub	1.38Å	1.33Å
C05	N06	sing	1.34Å	1.40Å
C04	C24	sing	1.47Å	1.47Å
N06	C07	sing	1.38Å	1.38Å
C24	O25	doub	1.22Å	1.23Å
C24	C23	sing	1.47Å	1.48Å
C11	C12	doub	1.38Å	1.40Å	Aromatic
C11	C10	sing	1.38Å	1.39Å	Aromatic
C12	C13	sing	1.38Å	1.38Å	Aromatic
C10	C09	doub	1.39Å	1.41Å	Aromatic
C07	C23	doub	1.40Å	1.41Å	Aromatic
C07	C08	sing	1.40Å	1.41Å	Aromatic
C23	C22	sing	1.40Å	1.40Å	Aromatic
C13	C14	doub	1.39Å	1.41Å	Aromatic
C09	C14	sing	1.40Å	1.40Å	Aromatic
C09	C08	sing	1.48Å	1.47Å
C14	O15	sing	1.36Å	1.40Å
C08	C20	doub	1.39Å	1.39Å	Aromatic
S16	O18	doub	1.42Å	1.40Å
S16	O15	sing	1.52Å	1.62Å
S16	O17	doub	1.42Å	1.41Å
C22	C21	doub	1.38Å	1.39Å	Aromatic
C20	C21	sing	1.38Å	1.40Å	Aromatic
C10	H1	sing	1.08Å	1.08Å
C13	H2	sing	1.08Å	1.08Å
C20	H3	sing	1.08Å	1.08Å
C21	H4	sing	1.08Å	1.08Å
C22	H5	sing	1.08Å	1.08Å
C05	H6	sing	1.08Å	1.08Å
C11	H7	sing	1.08Å	1.08Å
C12	H8	sing	1.08Å	1.08Å
N06	H9	sing	0.97Å	1.00Å
O01	H10	sing	0.97Å	0.95Å
S16	F1	sing	1.61Å	1.47Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O03	C02	O01	127.2°	120.0°
O03	C02	C04	114.9°	120.0°
O01	C02	C04	117.9°	120.0°
C02	O01	H10	109.5°	117.0°
C02	C04	C05	119.5°	120.6°
C02	C04	C24	121.0°	120.6°
C04	C05	N06	122.8°	122.2°
C05	C04	C24	119.5°	118.8°
C04	C05	H6	118.6°	118.9°
C05	N06	C07	121.6°	122.9°
N06	C05	H6	118.6°	118.9°
C05	N06	H9	119.2°	118.6°
C04	C24	O25	124.2°	121.4°
C04	C24	C23	117.3°	117.2°
N06	C07	C23	119.3°	120.3°
N06	C07	C08	119.9°	120.5°
C07	N06	H9	119.2°	118.5°
O25	C24	C23	118.4°	121.4°
C24	C23	C07	119.5°	118.6°
C24	C23	C22	121.4°	121.1°
C12	C11	C10	119.5°	120.2°
C11	C12	C13	120.0°	120.4°
C12	C11	H7	120.3°	119.9°
C11	C12	H8	120.0°	119.8°
C11	C10	C09	121.9°	120.0°
C11	C10	H1	119.1°	120.0°
C10	C11	H7	120.3°	119.9°
C12	C13	C14	120.0°	120.1°
C12	C13	H2	120.1°	120.0°
C13	C12	H8	120.0°	119.8°
C10	C09	C14	117.5°	119.7°
C10	C09	C08	120.6°	120.2°
C09	C10	H1	119.1°	120.0°
C23	C07	C08	120.8°	119.1°
C07	C23	C22	119.1°	120.3°
C07	C08	C09	118.4°	120.2°
C07	C08	C20	118.6°	119.7°
C23	C22	C21	120.4°	119.9°
C23	C22	H5	119.8°	120.1°
C13	C14	C09	121.3°	119.7°
C13	C14	O15	117.7°	120.1°
C14	C13	H2	120.0°	120.0°
C14	C09	C08	121.9°	120.1°
C09	C14	O15	121.0°	120.1°
C09	C08	C20	123.0°	120.1°
C14	O15	S16	129.7°	114.0°
C08	C20	C21	121.1°	120.5°
C08	C20	H3	119.4°	119.7°
O18	S16	O15	113.2°	106.4°
O18	S16	O17	120.9°	123.1°
O18	S16	F1	91.6°	106.4°
O15	S16	O17	108.2°	106.4°
O15	S16	F1	104.7°	107.2°
O17	S16	F1	116.5°	106.4°
C22	C21	C20	120.0°	120.5°
C22	C21	H4	120.0°	119.8°
C21	C22	H5	119.8°	120.1°
C21	C20	H3	119.5°	119.7°
C20	C21	H4	120.0°	119.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O03	C02	O01	C04	179.2°	179.9°
O03	C02	C04	C05	11.0°	0.1°
O03	C02	C04	C24	169.7°	180.0°
O03	C02	O01	H10	0.0°	0.1°
O01	C02	C04	C05	168.3°	180.0°
O01	C02	C04	C24	11.0°	0.1°
C02	C04	C05	C24	179.3°	179.9°
C02	C04	C05	N06	179.1°	180.0°
C02	C04	C24	O25	1.1°	0.1°
C02	C04	C24	C23	179.6°	179.9°
C02	C04	C05	H6	0.9°	0.1°
C04	C02	O01	H10	179.2°	180.0°
C04	C05	N06	H6	180.0°	179.9°
C04	C05	N06	C07	0.3°	0.1°
C05	C04	C24	O25	179.6°	180.0°
C05	C04	C24	C23	0.3°	0.0°
C04	C05	N06	H9	179.6°	180.0°
N06	C05	C04	C24	0.2°	0.1°
C05	N06	C07	H9	180.0°	179.9°
C05	N06	C07	C23	0.1°	0.1°
C05	N06	C07	C08	179.7°	180.0°
C04	C24	O25	C23	179.3°	180.0°
C04	C24	C23	C07	0.7°	0.0°
C04	C24	C23	C22	180.0°	179.3°
C24	C04	C05	H6	179.8°	180.0°
N06	C07	C23	C24	0.6°	0.0°
N06	C07	C23	C08	179.6°	179.9°
N06	C07	C23	C22	179.9°	179.3°
N06	C07	C08	C09	0.7°	0.1°
N06	C07	C08	C20	179.9°	179.5°
C07	N06	C05	H6	179.7°	180.0°
O25	C24	C23	C07	180.0°	180.0°
O25	C24	C23	C22	0.7°	0.7°
C24	C23	C07	C22	179.3°	179.3°
C24	C23	C07	C08	179.8°	180.0°
C24	C23	C22	C21	179.7°	179.7°
C24	C23	C22	H5	0.3°	0.3°
C12	C11	C10	H7	180.0°	179.9°
C11	C12	C13	H8	180.0°	180.0°
C12	C11	C10	C09	0.9°	0.1°
C11	C12	C13	C14	0.1°	0.3°
C12	C11	C10	H1	179.1°	179.8°
C11	C12	C13	H2	179.9°	179.7°
C10	C11	C12	C13	0.2°	0.0°
C11	C10	C09	H1	180.0°	179.8°
C11	C10	C09	C14	1.2°	0.2°
C11	C10	C09	C08	179.8°	179.7°
C10	C11	C12	H8	179.8°	180.0°
C12	C13	C14	H2	180.0°	179.5°
C12	C13	C14	C09	0.3°	0.5°
C12	C13	C14	O15	179.3°	180.0°
C13	C12	C11	H7	179.8°	179.9°
C10	C09	C08	C07	89.6°	112.9°
C10	C09	C14	C13	0.9°	0.5°
C10	C09	C14	C08	178.9°	179.9°
C10	C09	C14	O15	179.9°	180.0°
C10	C09	C08	C20	91.1°	66.5°
C09	C10	C11	H7	179.1°	180.0°
C23	C07	C08	C09	179.7°	180.0°
C23	C07	C08	C20	0.5°	0.5°
C07	C23	C22	C21	0.5°	0.5°
C07	C23	C22	H5	179.5°	179.5°
C23	C07	N06	H9	179.9°	180.0°
C08	C07	C23	C22	0.5°	0.8°
C07	C08	C09	C14	89.2°	66.9°
C07	C08	C09	C20	179.2°	179.5°
C07	C08	C20	C21	0.4°	0.0°
C07	C08	C20	H3	179.6°	179.7°
C08	C07	N06	H9	0.3°	0.1°
C23	C22	C21	H5	180.0°	180.0°
C23	C22	C21	C20	0.4°	0.0°
C23	C22	C21	H4	179.6°	180.0°
C13	C14	C09	O15	179.0°	179.5°
C13	C14	C09	C08	179.8°	179.4°
C13	C14	O15	S16	40.9°	84.3°
C14	C13	C12	H8	179.9°	179.7°
C14	C09	C08	C20	90.0°	113.6°
C09	C14	O15	S16	140.0°	96.2°
C14	C09	C10	H1	178.8°	180.0°
C09	C14	C13	H2	179.7°	180.0°
C08	C09	C14	O15	1.2°	0.1°
C09	C08	C20	C21	179.6°	179.5°
C08	C09	C10	H1	0.2°	0.1°
C09	C08	C20	H3	0.4°	0.2°
C14	O15	S16	O18	54.0°	172.9°
C14	O15	S16	O17	169.2°	40.0°
O15	C14	C13	H2	0.7°	0.5°
C14	O15	S16	F1	44.3°	73.5°
C08	C20	C21	C22	0.3°	0.3°
C08	C20	C21	H3	180.0°	179.7°
C08	C20	C21	H4	179.7°	179.7°
O18	S16	O15	O17	136.8°	132.9°
O18	S16	O15	F1	98.3°	113.5°
O18	S16	O17	F1	109.5°	122.9°
O15	S16	O17	F1	117.6°	114.1°
C22	C21	C20	H4	180.0°	180.0°
C22	C21	C20	H3	179.7°	180.0°
C20	C21	C22	H5	179.6°	180.0°
H1	C10	C11	H7	0.9°	0.2°
H2	C13	C12	H8	0.1°	0.3°
H3	C20	C21	H4	0.3°	0.0°
H4	C21	C22	H5	0.4°	0.0°
H6	C05	N06	H9	0.3°	0.1°
H7	C11	C12	H8	0.2°	0.0°

Release date:	2024-09-25
Definition date:	2023-11-28
Last modified:	2024-09-27
Release status:	REL
Processing site:	RCSB
Derived from:	8UZZ