YCI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O03	C02	doub	1.22Å	1.27Å
C02	O01	sing	1.35Å	1.26Å
C02	C04	sing	1.47Å	1.53Å
C05	C04	doub	1.38Å	1.39Å
C05	N06	sing	1.34Å	1.32Å
C04	C24	sing	1.47Å	1.40Å
N06	C07	sing	1.38Å	1.35Å
C24	O25	doub	1.22Å	1.19Å
C24	C23	sing	1.47Å	1.41Å
C11	C10	doub	1.38Å	1.39Å	Aromatic
C11	C12	sing	1.39Å	1.39Å	Aromatic
C07	C23	doub	1.40Å	1.38Å	Aromatic
C07	C08	sing	1.40Å	1.41Å	Aromatic
C10	C09	sing	1.40Å	1.38Å	Aromatic
O13	C12	sing	1.36Å	1.40Å
O13	S14	sing	1.52Å	1.65Å
C23	C22	sing	1.40Å	1.41Å	Aromatic
C12	C18	doub	1.39Å	1.39Å	Aromatic
O16	S14	doub	1.42Å	1.51Å
C09	C08	sing	1.48Å	1.39Å
C09	C19	doub	1.39Å	1.39Å	Aromatic
C08	C20	doub	1.39Å	1.39Å	Aromatic
C18	C19	sing	1.38Å	1.39Å	Aromatic
S14	O15	doub	1.42Å	1.51Å
S14	F17	sing	1.61Å	1.61Å
C22	C21	doub	1.38Å	1.39Å	Aromatic
C20	C21	sing	1.39Å	1.39Å	Aromatic
C10	H1	sing	1.08Å	1.08Å
C20	H2	sing	1.08Å	1.08Å
C21	H3	sing	1.08Å	1.08Å
C22	H4	sing	1.08Å	1.08Å
C11	H7	sing	1.08Å	1.08Å
C18	H8	sing	1.08Å	1.08Å
C19	H9	sing	1.08Å	1.08Å
O01	H10	sing	0.97Å	0.95Å
N06	H6	sing	0.97Å	1.00Å
C05	H5	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O03	C02	O01	119.7°	120.0°
O03	C02	C04	120.0°	120.0°
O01	C02	C04	120.2°	120.0°
C02	O01	H10	109.5°	117.0°
C02	C04	C05	119.7°	120.6°
C02	C04	C24	122.2°	120.6°
C04	C05	N06	123.3°	122.2°
C05	C04	C24	118.1°	118.9°
C04	C05	H5	118.4°	118.9°
C05	N06	C07	119.8°	122.8°
C05	N06	H6	120.1°	118.6°
N06	C05	H5	118.3°	118.9°
C04	C24	O25	122.1°	121.5°
C04	C24	C23	118.0°	117.1°
N06	C07	C23	120.8°	120.3°
N06	C07	C08	119.3°	120.5°
C07	N06	H6	120.1°	118.6°
O25	C24	C23	119.9°	121.4°
C24	C23	C07	120.0°	118.7°
C24	C23	C22	119.9°	121.1°
C10	C11	C12	119.9°	120.1°
C11	C10	C09	120.5°	119.9°
C11	C10	H1	119.8°	120.1°
C10	C11	H7	120.0°	120.0°
C11	C12	O13	120.1°	119.9°
C11	C12	C18	119.7°	120.2°
C12	C11	H7	120.1°	120.0°
C23	C07	C08	119.9°	119.1°
C07	C23	C22	120.1°	120.2°
C07	C08	C09	121.1°	120.1°
C07	C08	C20	119.6°	119.7°
C10	C09	C08	119.7°	120.0°
C10	C09	C19	119.6°	119.9°
C09	C10	H1	119.8°	120.0°
C12	O13	S14	117.3°	114.0°
O13	C12	C18	120.2°	119.9°
O13	S14	O16	110.8°	106.4°
O13	S14	O15	111.6°	106.4°
O13	S14	F17	110.4°	107.2°
C23	C22	C21	119.8°	119.9°
C23	C22	H4	120.1°	120.0°
C12	C18	C19	120.3°	120.1°
C12	C18	H8	119.8°	120.0°
O16	S14	O15	101.0°	123.2°
O16	S14	F17	111.0°	106.4°
C08	C09	C19	120.7°	120.1°
C09	C08	C20	119.3°	120.2°
C09	C19	C18	120.0°	119.9°
C09	C19	H9	120.0°	120.0°
C08	C20	C21	120.4°	120.6°
C08	C20	H2	119.8°	119.7°
C19	C18	H8	119.9°	120.0°
C18	C19	H9	120.0°	120.1°
O15	S14	F17	111.6°	106.4°
C22	C21	C20	120.1°	120.5°
C22	C21	H3	119.9°	119.8°
C21	C22	H4	120.1°	120.1°
C21	C20	H2	119.8°	119.7°
C20	C21	H3	120.0°	119.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O03	C02	O01	C04	178.6°	180.0°
O03	C02	C04	C05	33.6°	0.0°
O03	C02	C04	C24	145.2°	180.0°
O03	C02	O01	H10	0.0°	0.0°
O01	C02	C04	C05	147.8°	180.0°
O01	C02	C04	C24	33.5°	0.0°
C02	C04	C05	C24	178.8°	180.0°
C02	C04	C05	N06	179.7°	180.0°
C02	C04	C24	O25	1.0°	0.0°
C02	C04	C24	C23	179.2°	180.0°
C04	C02	O01	H10	178.6°	180.0°
C02	C04	C05	H5	0.3°	0.1°
C04	C05	N06	H5	180.0°	179.9°
C04	C05	N06	C07	0.9°	0.0°
C05	C04	C24	O25	179.8°	180.0°
C05	C04	C24	C23	0.5°	0.0°
C04	C05	N06	H6	179.1°	179.9°
N06	C05	C04	C24	0.9°	0.0°
C05	N06	C07	H6	180.0°	179.9°
C05	N06	C07	C23	0.5°	0.0°
C05	N06	C07	C08	179.8°	180.0°
C04	C24	O25	C23	179.8°	180.0°
C04	C24	C23	C07	0.1°	0.0°
C04	C24	C23	C22	179.8°	179.3°
C24	C04	C05	H5	179.2°	179.9°
N06	C07	C23	C24	0.1°	0.0°
N06	C07	C23	C08	179.7°	180.0°
N06	C07	C23	C22	179.8°	179.3°
N06	C07	C08	C09	0.8°	0.0°
N06	C07	C08	C20	180.0°	179.5°
C07	N06	C05	H5	179.1°	179.9°
O25	C24	C23	C07	179.9°	180.0°
O25	C24	C23	C22	0.0°	0.8°
C24	C23	C07	C22	179.9°	179.3°
C24	C23	C07	C08	179.8°	180.0°
C24	C23	C22	C21	179.8°	179.7°
C24	C23	C22	H4	0.2°	0.3°
C10	C11	C12	H7	180.0°	179.9°
C11	C10	C09	H1	180.0°	179.7°
C10	C11	C12	O13	179.7°	180.0°
C10	C11	C12	C18	0.2°	0.0°
C11	C10	C09	C08	179.6°	179.8°
C11	C10	C09	C19	0.6°	0.3°
C12	C11	C10	C09	0.4°	0.0°
C11	C12	O13	C18	179.5°	180.0°
C11	C12	O13	S14	80.8°	90.0°
C11	C12	C18	C19	0.3°	0.3°
C12	C11	C10	H1	179.6°	179.7°
C11	C12	C18	H8	179.7°	180.0°
C23	C07	C08	C09	179.6°	180.0°
C23	C07	C08	C20	0.3°	0.5°
C07	C23	C22	C21	0.1°	0.5°
C07	C23	C22	H4	179.9°	179.5°
C23	C07	N06	H6	179.5°	179.9°
C07	C08	C09	C10	79.6°	130.0°
C08	C07	C23	C22	0.1°	0.7°
C07	C08	C09	C20	179.2°	179.5°
C07	C08	C09	C19	101.5°	50.0°
C07	C08	C20	C21	0.6°	0.1°
C07	C08	C20	H2	179.4°	179.7°
C08	C07	N06	H6	0.2°	0.1°
C10	C09	C08	C19	178.9°	180.0°
C10	C09	C08	C20	99.7°	49.5°
C10	C09	C19	C18	0.7°	0.5°
C09	C10	C11	H7	179.6°	179.9°
C10	C09	C19	H9	179.3°	180.0°
C12	O13	S14	O16	164.9°	165.1°
O13	C12	C18	C19	179.8°	179.7°
C12	O13	S14	O15	53.2°	32.1°
C12	O13	S14	F17	71.6°	81.4°
O13	C12	C11	H7	0.3°	0.0°
O13	C12	C18	H8	0.2°	0.0°
S14	O13	C12	C18	99.7°	90.0°
O13	S14	O16	O15	118.4°	122.9°
O13	S14	O16	F17	123.1°	114.1°
O13	S14	O15	F17	124.1°	114.1°
C23	C22	C21	H4	180.0°	180.0°
C23	C22	C21	C20	0.3°	0.0°
C23	C22	C21	H3	179.6°	179.9°
C12	C18	C19	C09	0.5°	0.5°
C12	C18	C19	H8	180.0°	179.8°
C18	C12	C11	H7	179.8°	179.9°
C12	C18	C19	H9	179.5°	180.0°
O16	S14	O15	F17	118.1°	123.0°
C08	C09	C19	C18	179.6°	179.5°
C09	C08	C20	C21	179.8°	179.5°
C08	C09	C10	H1	0.4°	0.0°
C09	C08	C20	H2	0.2°	0.2°
C08	C09	C19	H9	0.4°	0.0°
C19	C09	C08	C20	79.3°	130.5°
C09	C19	C18	H9	180.0°	179.5°
C19	C09	C10	H1	179.4°	180.0°
C09	C19	C18	H8	179.5°	179.7°
C08	C20	C21	C22	0.6°	0.2°
C08	C20	C21	H2	180.0°	179.8°
C08	C20	C21	H3	179.4°	179.7°
C22	C21	C20	H3	180.0°	179.9°
C22	C21	C20	H2	179.5°	180.0°
C20	C21	C22	H4	179.7°	180.0°
H1	C10	C11	H7	0.4°	0.2°
H2	C20	C21	H3	0.6°	0.1°
H3	C21	C22	H4	0.4°	0.0°
H8	C18	C19	H9	0.5°	0.2°
H6	N06	C05	H5	0.9°	0.1°

Release date:	2024-09-25
Definition date:	2023-11-30
Last modified:	2024-09-20
Release status:	REL
Processing site:	RCSB
Derived from:	8V0B