YKU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C06	C01	doub	1.38Å	1.39Å	Aromatic
C06	C05	sing	1.38Å	1.38Å	Aromatic
C01	C02	sing	1.38Å	1.38Å	Aromatic
C05	C04	doub	1.39Å	1.38Å	Aromatic
C02	C03	doub	1.38Å	1.38Å	Aromatic
N22	C21	trip	1.14Å	1.13Å
C04	C03	sing	1.39Å	1.39Å	Aromatic
C04	C07	sing	1.48Å	1.53Å
C11	C07	sing	1.41Å	1.39Å	Aromatic
C11	C10	doub	1.36Å	1.37Å	Aromatic
C21	C19	sing	1.43Å	1.53Å
C07	N08	doub	1.32Å	1.33Å	Aromatic
C20	C19	doub	1.39Å	1.39Å	Aromatic
C20	C15	sing	1.39Å	1.39Å	Aromatic
C19	C18	sing	1.40Å	1.38Å	Aromatic
C10	N12	sing	1.39Å	1.45Å
C10	N09	sing	1.36Å	1.31Å	Aromatic
N12	C13	sing	1.35Å	1.45Å
C13	O14	doub	1.21Å	1.18Å
C13	C15	sing	1.48Å	1.53Å
N08	N09	sing	1.40Å	1.36Å	Aromatic
C15	C16	doub	1.40Å	1.38Å	Aromatic
N09	C23	sing	1.40Å	1.45Å
C18	C17	doub	1.38Å	1.38Å	Aromatic
C16	C17	sing	1.38Å	1.38Å	Aromatic
C23	C28	doub	1.39Å	1.38Å	Aromatic
C23	C24	sing	1.39Å	1.38Å	Aromatic
C28	C27	sing	1.38Å	1.38Å	Aromatic
C24	C25	doub	1.38Å	1.38Å	Aromatic
C27	C26	doub	1.38Å	1.38Å	Aromatic
C25	C26	sing	1.38Å	1.38Å	Aromatic
N12	H1	sing	0.97Å	1.00Å
C17	H2	sing	1.08Å	1.08Å
C20	H3	sing	1.08Å	1.08Å
C24	H4	sing	1.08Å	1.08Å
C26	H5	sing	1.08Å	1.08Å
C28	H6	sing	1.08Å	1.08Å
C01	H7	sing	1.08Å	1.08Å
C02	H8	sing	1.08Å	1.08Å
C03	H9	sing	1.08Å	1.08Å
C05	H10	sing	1.08Å	1.08Å
C06	H11	sing	1.08Å	1.08Å
C11	H12	sing	1.08Å	1.08Å
C16	H13	sing	1.08Å	1.08Å
C18	H14	sing	1.08Å	1.08Å
C25	H15	sing	1.08Å	1.08Å
C27	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	C06	C05	120.2°	120.1°
C06	C01	C02	119.9°	120.3°
C06	C01	H7	120.1°	119.8°
C01	C06	H11	119.9°	120.0°
C06	C05	C04	119.8°	119.8°
C06	C05	H10	120.1°	120.1°
C05	C06	H11	119.9°	119.9°
C01	C02	C03	119.9°	120.1°
C02	C01	H7	120.0°	119.9°
C01	C02	H8	120.1°	119.9°
C05	C04	C03	120.0°	119.8°
C05	C04	C07	120.3°	120.1°
C04	C05	H10	120.1°	120.1°
C02	C03	C04	120.2°	119.9°
C03	C02	H8	120.1°	120.0°
C02	C03	H9	119.9°	120.1°
N22	C21	C19	178.9°	180.0°
C03	C04	C07	119.7°	120.1°
C04	C03	H9	119.9°	120.1°
C04	C07	C11	128.1°	125.9°
C04	C07	N08	124.3°	125.9°
C07	C11	C10	107.0°	107.8°
C11	C07	N08	107.7°	108.2°
C07	C11	H12	126.5°	126.1°
C11	C10	N12	128.5°	126.1°
C11	C10	N09	107.3°	107.6°
C10	C11	H12	126.5°	126.1°
C21	C19	C20	121.3°	120.1°
C21	C19	C18	118.2°	120.0°
C07	N08	N09	107.5°	108.4°
C19	C20	C15	119.4°	119.7°
C20	C19	C18	120.4°	119.9°
C19	C20	H3	120.3°	120.1°
C20	C15	C13	122.6°	120.0°
C20	C15	C16	119.9°	119.9°
C15	C20	H3	120.3°	120.2°
C19	C18	C17	120.1°	120.1°
C19	C18	H14	120.0°	120.0°
N12	C10	N09	124.2°	126.2°
C10	N12	C13	121.8°	120.0°
C10	N12	H1	119.1°	120.0°
C10	N09	N08	110.5°	108.0°
C10	N09	C23	125.3°	125.9°
N12	C13	O14	120.4°	120.0°
N12	C13	C15	119.1°	120.0°
C13	N12	H1	119.1°	120.0°
O14	C13	C15	120.5°	120.0°
C13	C15	C16	117.6°	120.1°
N08	N09	C23	124.2°	126.1°
C15	C16	C17	120.7°	120.2°
C15	C16	H13	119.7°	120.0°
N09	C23	C28	119.8°	120.0°
N09	C23	C24	120.2°	120.1°
C18	C17	C16	119.6°	120.3°
C18	C17	H2	120.2°	119.9°
C17	C18	H14	119.9°	119.9°
C16	C17	H2	120.2°	119.9°
C17	C16	H13	119.7°	119.9°
C28	C23	C24	120.0°	119.9°
C23	C28	C27	120.0°	119.9°
C23	C28	H6	120.0°	120.1°
C23	C24	C25	119.9°	119.9°
C23	C24	H4	120.0°	120.0°
C28	C27	C26	120.0°	120.1°
C27	C28	H6	120.0°	120.0°
C28	C27	H16	120.0°	120.0°
C24	C25	C26	120.1°	120.1°
C25	C24	H4	120.0°	120.0°
C24	C25	H15	120.0°	120.0°
C27	C26	C25	119.9°	120.1°
C27	C26	H5	120.0°	119.9°
C26	C27	H16	120.0°	120.0°
C25	C26	H5	120.0°	119.9°
C26	C25	H15	120.0°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C06	C05	H11	180.0°	179.5°
C06	C01	C02	H7	180.0°	179.7°
C01	C06	C05	C04	0.5°	0.5°
C06	C01	C02	C03	0.2°	0.3°
C06	C01	C02	H8	179.8°	179.8°
C01	C06	C05	H10	179.6°	179.7°
C05	C06	C01	C02	0.2°	0.5°
C06	C05	C04	H10	180.0°	179.8°
C06	C05	C04	C03	0.8°	0.2°
C06	C05	C04	C07	179.6°	179.7°
C05	C06	C01	H7	179.8°	179.8°
C01	C02	C03	H8	180.0°	179.9°
C01	C02	C03	C04	0.5°	0.0°
C01	C02	C03	H9	179.4°	179.9°
C02	C01	C06	H11	179.8°	179.9°
C05	C04	C03	C02	0.9°	0.0°
C05	C04	C03	C07	178.8°	179.9°
C05	C04	C07	C11	60.7°	0.1°
C05	C04	C07	N08	119.3°	179.9°
C05	C04	C03	H9	179.1°	180.0°
C04	C05	C06	H11	179.5°	180.0°
C02	C03	C04	H9	180.0°	179.9°
C02	C03	C04	C07	179.7°	180.0°
C03	C02	C01	H7	179.8°	180.0°
N22	C21	C19	C20	177.4°	58.3°
N22	C21	C19	C18	2.6°	121.7°
C03	C04	C07	C11	120.4°	180.0°
C03	C04	C07	N08	59.6°	0.1°
C04	C03	C02	H8	179.5°	179.9°
C03	C04	C05	H10	179.2°	180.0°
C04	C07	C11	N08	180.0°	179.9°
C04	C07	C11	C10	179.9°	179.8°
C04	C07	N08	N09	180.0°	179.9°
C07	C04	C03	H9	0.3°	0.1°
C07	C04	C05	H10	0.4°	0.1°
C04	C07	C11	H12	0.1°	0.1°
C07	C11	C10	H12	180.0°	179.9°
C07	C11	C10	N12	179.6°	180.0°
C07	C11	C10	N09	0.2°	0.2°
C11	C07	N08	N09	0.0°	0.0°
C10	C11	C07	N08	0.1°	0.1°
C11	C10	N12	N09	179.3°	179.7°
C11	C10	N12	C13	93.8°	0.3°
C11	C10	N09	N08	0.2°	0.2°
C11	C10	N09	C23	179.7°	179.7°
C11	C10	N12	H1	86.2°	179.7°
C21	C19	C20	C18	180.0°	180.0°
C21	C19	C20	C15	179.9°	180.0°
C21	C19	C18	C17	180.0°	179.7°
C21	C19	C20	H3	0.1°	0.0°
C21	C19	C18	H14	0.0°	0.0°
C07	N08	N09	C10	0.1°	0.2°
C07	N08	N09	C23	179.8°	179.8°
N08	C07	C11	H12	179.9°	180.0°
C19	C20	C15	H3	180.0°	180.0°
C19	C20	C15	C13	179.8°	180.0°
C19	C20	C15	C16	0.2°	0.2°
C20	C19	C18	C17	0.1°	0.3°
C20	C19	C18	H14	180.0°	179.9°
C15	C20	C19	C18	0.1°	0.0°
C20	C15	C13	N12	102.2°	179.7°
C20	C15	C13	O14	78.7°	0.3°
C20	C15	C13	C16	180.0°	179.8°
C20	C15	C16	C17	0.2°	0.2°
C20	C15	C16	H13	179.7°	179.7°
C19	C18	C17	H14	180.0°	179.7°
C19	C18	C17	C16	0.1°	0.3°
C19	C18	C17	H2	179.9°	179.7°
C18	C19	C20	H3	179.9°	180.0°
C10	N12	C13	H1	180.0°	180.0°
C10	N12	C13	O14	0.7°	0.0°
C10	N12	C13	C15	178.5°	180.0°
N12	C10	N09	N08	179.6°	180.0°
N12	C10	N09	C23	0.3°	0.0°
N12	C10	C11	H12	0.4°	0.1°
N09	C10	N12	C13	87.0°	180.0°
C10	N09	N08	C23	179.9°	179.9°
C10	N09	C23	C28	103.2°	145.1°
C10	N09	C23	C24	76.9°	34.9°
N09	C10	N12	H1	93.0°	0.0°
N09	C10	C11	H12	179.8°	179.9°
N12	C13	O14	C15	179.2°	180.0°
N12	C13	C15	C16	77.9°	0.1°
O14	C13	C15	C16	101.3°	180.0°
O14	C13	N12	H1	179.3°	180.0°
C13	C15	C16	C17	179.8°	180.0°
C15	C13	N12	H1	1.5°	0.0°
C13	C15	C20	H3	0.2°	0.0°
C13	C15	C16	H13	0.2°	0.1°
N08	N09	C23	C28	76.6°	35.0°
N08	N09	C23	C24	103.2°	145.0°
C15	C16	C17	C18	0.2°	0.1°
C15	C16	C17	H13	180.0°	179.9°
C15	C16	C17	H2	179.8°	180.0°
C16	C15	C20	H3	179.8°	179.8°
N09	C23	C28	C24	179.9°	180.0°
N09	C23	C28	C27	180.0°	179.4°
N09	C23	C24	C25	180.0°	180.0°
N09	C23	C24	H4	0.1°	0.4°
N09	C23	C28	H6	0.0°	0.3°
C18	C17	C16	H2	180.0°	179.9°
C18	C17	C16	H13	179.8°	180.0°
C16	C17	C18	H14	179.9°	180.0°
C23	C28	C27	H6	180.0°	179.1°
C28	C23	C24	C25	0.1°	0.0°
C23	C28	C27	C26	0.1°	0.8°
C28	C23	C24	H4	179.9°	179.7°
C23	C28	C27	H16	179.9°	179.1°
C24	C23	C28	C27	0.1°	0.5°
C23	C24	C25	H4	180.0°	179.6°
C23	C24	C25	C26	0.0°	0.3°
C24	C23	C28	H6	179.9°	179.7°
C23	C24	C25	H15	180.0°	179.7°
C28	C27	C26	H16	180.0°	179.9°
C28	C27	C26	C25	0.0°	0.5°
C28	C27	C26	H5	180.0°	179.4°
C24	C25	C26	C27	NaN°	0.1°
C24	C25	C26	H15	180.0°	180.0°
C24	C25	C26	H5	180.0°	179.9°
C27	C26	C25	H5	180.0°	179.9°
C26	C27	C28	H6	179.9°	179.9°
C27	C26	C25	H15	180.0°	179.9°
C26	C25	C24	H4	180.0°	180.0°
C25	C26	C27	H16	180.0°	179.4°
H2	C17	C16	H13	0.2°	0.0°
H2	C17	C18	H14	0.1°	0.1°
H4	C24	C25	H15	0.0°	0.0°
H5	C26	C25	H15	0.0°	0.0°
H5	C26	C27	H16	0.0°	0.7°
H6	C28	C27	H16	0.1°	0.0°
H7	C01	C02	H8	0.2°	0.1°
H7	C01	C06	H11	0.2°	0.2°
H8	C02	C03	H9	0.5°	0.0°
H10	C05	C06	H11	0.4°	0.2°

Release date:	2023-10-11
Definition date:	2023-06-19
Last modified:	2023-10-06
Release status:	REL
Processing site:	RCSB
Derived from:	8T6J