A1IZ5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O03	C02	doub	1.21Å	1.26Å
O01	C02	sing	1.34Å	1.25Å
C02	C04	sing	1.51Å	1.52Å
C04	N05	sing	1.46Å	1.44Å
O07	C06	doub	1.22Å	1.19Å
N05	C06	sing	1.35Å	1.45Å
C06	C08	sing	1.48Å	1.53Å
N09	C08	doub	1.33Å	1.32Å	Aromatic
N09	C10	sing	1.31Å	1.32Å	Aromatic
C08	C29	sing	1.40Å	1.40Å	Aromatic
C10	C11	doub	1.40Å	1.39Å	Aromatic
C29	O30	sing	1.36Å	1.40Å
C29	C28	doub	1.39Å	1.38Å	Aromatic
C11	C28	sing	1.40Å	1.38Å	Aromatic
C11	C12	sing	1.48Å	1.38Å
C13	C12	doub	1.37Å	1.39Å	Aromatic
C13	C14	sing	1.42Å	1.38Å	Aromatic
C17	C16	doub	1.38Å	1.39Å	Aromatic
C17	C18	sing	1.38Å	1.39Å	Aromatic
C16	C15	sing	1.39Å	1.39Å	Aromatic
C12	O27	sing	1.35Å	1.34Å	Aromatic
C19	C18	sing	1.51Å	1.53Å
C19	O20	sing	1.43Å	1.40Å
C18	C21	doub	1.38Å	1.39Å	Aromatic
C15	C14	sing	1.49Å	1.38Å
C15	C25	doub	1.39Å	1.38Å	Aromatic
C14	N26	doub	1.31Å	1.32Å	Aromatic
C21	C25	sing	1.38Å	1.38Å	Aromatic
C21	N22	sing	1.48Å	1.45Å
O27	N26	sing	1.21Å	1.36Å	Aromatic
O24	N22	doub	1.22Å	1.18Å
N22	O23	doub	1.22Å	1.18Å
C10	H1	sing	1.08Å	1.08Å
C13	H2	sing	1.08Å	1.08Å
C16	H3	sing	1.08Å	1.08Å
C17	H4	sing	1.08Å	1.08Å
C19	H5	sing	1.09Å	1.10Å
C19	H6	sing	1.09Å	1.10Å
C25	H7	sing	1.08Å	1.08Å
C04	H8	sing	1.09Å	1.10Å
C04	H9	sing	1.09Å	1.10Å
C28	H10	sing	1.08Å	1.08Å
N05	H11	sing	0.97Å	1.00Å
O01	H12	sing	0.97Å	0.95Å
O20	H13	sing	0.97Å	0.95Å
O30	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O03	C02	O01	121.4°	120.0°
O03	C02	C04	119.5°	120.0°
O01	C02	C04	119.1°	120.0°
C02	O01	H12	109.5°	117.0°
C02	C04	N05	107.2°	109.5°
C02	C04	H8	110.0°	109.5°
C02	C04	H9	110.0°	109.5°
C04	N05	C06	118.4°	120.0°
N05	C04	H8	110.1°	109.5°
N05	C04	H9	110.0°	109.5°
C04	N05	H11	120.8°	120.0°
O07	C06	N05	119.4°	120.0°
O07	C06	C08	120.1°	120.0°
N05	C06	C08	120.6°	120.0°
C06	N05	H11	120.8°	120.0°
C06	C08	N09	117.2°	119.7°
C06	C08	C29	121.4°	119.6°
C08	N09	C10	121.2°	121.9°
N09	C08	C29	121.4°	120.7°
N09	C10	C11	120.6°	120.9°
N09	C10	H1	119.7°	119.6°
C08	C29	O30	123.1°	120.5°
C08	C29	C28	118.5°	119.0°
C10	C11	C28	119.6°	119.1°
C10	C11	C12	120.5°	120.4°
C11	C10	H1	119.7°	119.5°
O30	C29	C28	118.4°	120.5°
C29	O30	H14	109.5°	114.0°
C29	C28	C11	118.7°	118.4°
C29	C28	H10	120.6°	120.8°
C28	C11	C12	119.9°	120.5°
C11	C28	H10	120.6°	120.8°
C11	C12	C13	126.7°	126.9°
C11	C12	O27	125.8°	126.8°
C12	C13	C14	106.3°	103.8°
C13	C12	O27	107.5°	106.3°
C12	C13	H2	126.8°	128.1°
C13	C14	C15	127.3°	126.9°
C13	C14	N26	108.4°	106.3°
C14	C13	H2	126.8°	128.1°
C16	C17	C18	119.8°	120.1°
C17	C16	C15	119.8°	119.9°
C17	C16	H3	120.1°	120.1°
C16	C17	H4	120.1°	120.0°
C17	C18	C19	119.9°	119.9°
C17	C18	C21	120.2°	120.2°
C18	C17	H4	120.1°	119.9°
C16	C15	C14	119.8°	120.1°
C16	C15	C25	120.5°	119.8°
C15	C16	H3	120.1°	120.0°
C12	O27	N26	108.7°	111.8°
C18	C19	O20	108.2°	109.5°
C19	C18	C21	119.8°	119.9°
C18	C19	H5	109.8°	109.5°
C18	C19	H6	109.8°	109.5°
O20	C19	H5	109.8°	109.4°
O20	C19	H6	109.8°	109.4°
C19	O20	H13	109.5°	114.0°
C18	C21	C25	120.0°	120.2°
C18	C21	N22	120.3°	119.9°
C14	C15	C25	119.6°	120.1°
C15	C14	N26	124.2°	126.8°
C15	C25	C21	119.6°	119.9°
C15	C25	H7	120.2°	120.1°
C14	N26	O27	109.0°	111.8°
C25	C21	N22	119.7°	119.9°
C21	C25	H7	120.2°	120.1°
C21	N22	O24	119.8°	120.0°
C21	N22	O23	119.9°	120.0°
O24	N22	O23	120.3°	120.0°
H5	C19	H6	109.5°	109.5°
H8	C04	H9	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O03	C02	O01	C04	179.8°	180.0°
O03	C02	C04	N05	37.0°	0.0°
O03	C02	C04	H8	82.7°	120.0°
O03	C02	C04	H9	156.6°	120.0°
O03	C02	O01	H12	0.0°	0.0°
O01	C02	C04	N05	143.2°	180.0°
O01	C02	C04	H8	97.1°	60.0°
O01	C02	C04	H9	23.6°	60.0°
C02	C04	N05	H8	119.7°	120.0°
C02	C04	N05	H9	119.6°	120.0°
C02	C04	N05	C06	121.8°	180.0°
C02	C04	H8	H9	121.0°	120.0°
C02	C04	N05	H11	58.2°	0.0°
C04	C02	O01	H12	179.8°	180.0°
C04	N05	C06	O07	0.1°	0.0°
C04	N05	C06	H11	180.0°	180.0°
C04	N05	C06	C08	179.4°	180.0°
N05	C04	H8	H9	121.1°	120.0°
O07	C06	N05	C08	179.2°	180.0°
O07	C06	C08	N09	4.0°	180.0°
O07	C06	C08	C29	175.0°	0.0°
O07	C06	N05	H11	179.9°	180.0°
N05	C06	C08	N09	176.7°	0.0°
N05	C06	C08	C29	4.3°	180.0°
C06	N05	C04	H8	2.1°	60.0°
C06	N05	C04	H9	118.6°	60.0°
C06	C08	N09	C29	179.0°	180.0°
C06	C08	N09	C10	179.2°	179.5°
C06	C08	C29	O30	1.0°	0.0°
C06	C08	C29	C28	179.7°	179.7°
C08	C06	N05	H11	0.6°	0.0°
C08	N09	C10	C11	0.6°	0.6°
N09	C08	C29	O30	179.9°	180.0°
N09	C08	C29	C28	0.7°	0.3°
C08	N09	C10	H1	179.4°	179.8°
C10	N09	C08	C29	0.2°	0.5°
N09	C10	C11	H1	180.0°	179.7°
N09	C10	C11	C28	0.9°	0.3°
N09	C10	C11	C12	179.7°	179.7°
C08	C29	O30	C28	179.4°	179.8°
C08	C29	C28	C11	0.4°	0.0°
C08	C29	C28	H10	179.6°	180.0°
C08	C29	O30	H14	180.0°	90.0°
C10	C11	C28	C29	0.4°	0.1°
C10	C11	C28	C12	179.3°	180.0°
C10	C11	C12	C13	50.6°	0.3°
C10	C11	C12	O27	129.3°	180.0°
C10	C11	C28	H10	179.6°	180.0°
O30	C29	C28	C11	179.8°	179.8°
O30	C29	C28	H10	0.2°	0.3°
C29	C28	C11	H10	180.0°	179.9°
C29	C28	C11	C12	179.7°	180.0°
C28	C29	O30	H14	0.7°	89.8°
C28	C11	C12	C13	130.1°	179.7°
C28	C11	C12	O27	50.0°	0.0°
C28	C11	C10	H1	179.0°	180.0°
C11	C12	C13	O27	180.0°	179.7°
C11	C12	C13	C14	179.8°	180.0°
C11	C12	O27	N26	179.9°	179.9°
C12	C11	C10	H1	0.3°	0.1°
C11	C12	C13	H2	0.2°	0.1°
C12	C11	C28	H10	0.3°	0.1°
C12	C13	C14	H2	180.0°	179.9°
C12	C13	C14	C15	178.7°	180.0°
C12	C13	C14	N26	0.5°	0.0°
C13	C12	O27	N26	0.1°	0.4°
C13	C14	C15	C16	41.7°	0.2°
C14	C13	C12	O27	0.2°	0.2°
C13	C14	C15	N26	177.9°	180.0°
C13	C14	C15	C25	140.5°	180.0°
C13	C14	N26	O27	0.5°	0.2°
C16	C17	C18	H4	180.0°	179.9°
C17	C16	C15	H3	180.0°	180.0°
C16	C17	C18	C19	179.7°	180.0°
C16	C17	C18	C21	0.2°	0.0°
C17	C16	C15	C14	178.9°	180.0°
C17	C16	C15	C25	1.1°	0.2°
C18	C17	C16	C15	0.6°	0.0°
C17	C18	C19	C21	179.5°	180.0°
C17	C18	C19	O20	47.8°	0.0°
C17	C18	C21	C25	0.4°	0.2°
C17	C18	C21	N22	180.0°	180.0°
C18	C17	C16	H3	179.4°	180.0°
C17	C18	C19	H5	167.6°	120.0°
C17	C18	C19	H6	72.0°	120.0°
C16	C15	C14	C25	177.8°	179.8°
C16	C15	C14	N26	136.2°	179.7°
C16	C15	C25	C21	0.9°	0.5°
C15	C16	C17	H4	179.4°	179.9°
C16	C15	C25	H7	179.1°	179.7°
C12	O27	N26	C14	0.4°	0.4°
O27	C12	C13	H2	179.8°	179.8°
C18	C19	O20	H5	119.8°	120.0°
C18	C19	O20	H6	119.8°	120.1°
C19	C18	C21	C25	179.9°	179.8°
C19	C18	C21	N22	0.5°	0.0°
C19	C18	C17	H4	0.4°	0.1°
C18	C19	H5	H6	120.6°	120.1°
C18	C19	O20	H13	180.0°	179.9°
O20	C19	C18	C21	131.6°	180.0°
O20	C19	H5	H6	120.6°	119.9°
C18	C21	C25	C15	0.1°	0.5°
C18	C21	C25	N22	179.6°	179.7°
C18	C21	N22	O24	88.9°	0.0°
C18	C21	N22	O23	91.3°	180.0°
C21	C18	C17	H4	179.8°	179.9°
C21	C18	C19	H5	11.9°	60.0°
C21	C18	C19	H6	108.5°	60.0°
C18	C21	C25	H7	179.8°	179.7°
C14	C15	C25	C21	178.7°	179.7°
C15	C14	N26	O27	178.8°	179.7°
C15	C14	C13	H2	1.3°	0.1°
C14	C15	C16	H3	1.1°	0.0°
C14	C15	C25	H7	1.3°	0.1°
C25	C15	C14	N26	41.6°	0.1°
C15	C25	C21	H7	180.0°	179.8°
C15	C25	C21	N22	179.4°	179.7°
C25	C15	C16	H3	178.9°	179.7°
N26	C14	C13	H2	179.5°	180.0°
C25	C21	N22	O24	90.6°	179.7°
C25	C21	N22	O23	89.1°	0.2°
C21	N22	O24	O23	179.7°	180.0°
N22	C21	C25	H7	0.6°	0.0°
H3	C16	C17	H4	0.6°	0.1°
H5	C19	O20	H13	60.3°	59.9°
H6	C19	O20	H13	60.2°	60.0°
H8	C04	N05	H11	177.9°	120.0°
H9	C04	N05	H11	61.4°	120.0°

Release date:	2025-05-21
Definition date:	2025-01-28
Last modified:	2025-05-16
Release status:	REL
Processing site:	PDBE
Derived from:	9I4H