W3X

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N03	C02	sing	1.35Å	1.45Å
C02	O01	doub	1.22Å	1.19Å
C02	C04	sing	1.41Å	1.53Å
C05	C04	doub	1.34Å	1.52Å
C05	N06	sing	1.37Å	1.44Å
C04	C18	sing	1.50Å	1.54Å
C08	C07	sing	1.53Å	1.53Å
C08	C09	sing	1.51Å	1.52Å
N06	C07	sing	1.47Å	1.45Å
N06	C16	sing	1.39Å	1.45Å
C18	C17	sing	1.50Å	1.53Å
C09	C15	doub	1.38Å	1.38Å	Aromatic
C09	C10	sing	1.38Å	1.39Å	Aromatic
C15	C14	sing	1.38Å	1.39Å	Aromatic
C16	C17	doub	1.31Å	1.52Å
C10	C11	doub	1.38Å	1.38Å	Aromatic
C14	C12	doub	1.39Å	1.39Å	Aromatic
C11	C12	sing	1.39Å	1.39Å	Aromatic
C12	O13	sing	1.36Å	1.40Å
C18	H1	sing	1.09Å	1.10Å
C18	H2	sing	1.09Å	1.10Å
C16	H3	sing	1.08Å	1.08Å
C17	H4	sing	1.08Å	1.08Å
C15	H5	sing	1.08Å	1.08Å
C14	H6	sing	1.08Å	1.08Å
C05	H8	sing	1.08Å	1.08Å
C07	H10	sing	1.09Å	1.10Å
C07	H11	sing	1.09Å	1.10Å
N03	H12	sing	0.97Å	1.00Å
N03	H13	sing	0.97Å	1.00Å
O13	H14	sing	0.97Å	0.95Å
C08	H15	sing	1.09Å	1.10Å
C08	H16	sing	1.09Å	1.10Å
C10	H17	sing	1.08Å	1.08Å
C11	H18	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N03	C02	O01	119.9°	120.0°
N03	C02	C04	121.0°	120.0°
C02	N03	H12	120.0°	120.0°
C02	N03	H13	120.0°	120.0°
O01	C02	C04	119.1°	120.0°
C02	C04	C05	115.6°	119.3°
C02	C04	C18	118.7°	119.3°
C04	C05	N06	115.9°	120.5°
C05	C04	C18	116.6°	121.3°
C04	C05	H8	122.0°	119.8°
C05	N06	C07	119.4°	120.0°
C05	N06	C16	118.8°	120.0°
N06	C05	H8	122.0°	119.7°
C04	C18	C17	114.6°	110.9°
C04	C18	H1	108.2°	109.1°
C04	C18	H2	108.1°	109.2°
C07	C08	C09	112.2°	109.5°
C08	C07	N06	108.6°	109.5°
C08	C07	H10	109.7°	109.5°
C08	C07	H11	109.7°	109.5°
C07	C08	H15	108.8°	109.4°
C07	C08	H16	108.8°	109.5°
C08	C09	C15	119.8°	120.0°
C08	C09	C10	120.0°	119.9°
C09	C08	H15	108.8°	109.5°
C09	C08	H16	108.8°	109.5°
C07	N06	C16	121.8°	120.0°
N06	C07	H10	109.7°	109.5°
N06	C07	H11	109.7°	109.5°
N06	C16	C17	118.1°	121.0°
N06	C16	H3	120.9°	119.5°
C18	C17	C16	121.3°	121.8°
C17	C18	H1	108.2°	109.2°
C17	C18	H2	108.2°	109.3°
C18	C17	H4	119.3°	119.1°
C15	C09	C10	120.1°	120.1°
C09	C15	C14	119.9°	120.0°
C09	C15	H5	120.0°	120.0°
C09	C10	C11	120.0°	120.0°
C09	C10	H17	120.0°	120.0°
C15	C14	C12	120.0°	120.0°
C14	C15	H5	120.1°	120.0°
C15	C14	H6	120.0°	120.0°
C17	C16	H3	120.9°	119.5°
C16	C17	H4	119.4°	119.1°
C10	C11	C12	119.9°	120.0°
C11	C10	H17	120.0°	120.0°
C10	C11	H18	120.0°	120.0°
C14	C12	C11	120.0°	119.9°
C14	C12	O13	119.7°	120.1°
C12	C14	H6	120.0°	120.0°
C11	C12	O13	120.2°	120.0°
C12	C11	H18	120.0°	120.0°
C12	O13	H14	109.5°	114.0°
H1	C18	H2	109.5°	109.2°
H10	C07	H11	109.5°	109.5°
H12	N03	H13	120.0°	120.0°
H15	C08	H16	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N03	C02	O01	C04	179.7°	180.0°
N03	C02	C04	C05	148.6°	180.0°
N03	C02	C04	C18	65.5°	0.0°
C02	N03	H12	H13	180.0°	179.9°
O01	C02	C04	C05	31.1°	0.0°
O01	C02	C04	C18	114.8°	180.0°
O01	C02	N03	H12	0.0°	0.0°
O01	C02	N03	H13	180.0°	180.0°
C02	C04	C05	C18	146.6°	180.0°
C02	C04	C05	N06	103.9°	179.5°
C02	C04	C18	C17	121.8°	163.8°
C02	C04	C18	H1	117.4°	43.5°
C02	C04	C18	H2	1.1°	75.8°
C02	C04	C05	H8	76.0°	0.4°
C04	C02	N03	H12	179.7°	179.9°
C04	C02	N03	H13	0.3°	0.0°
C04	C05	N06	H8	180.0°	180.0°
C04	C05	N06	C07	134.3°	162.5°
C04	C05	N06	C16	43.0°	17.5°
C05	C04	C18	C17	23.7°	16.2°
C05	C04	C18	H1	97.0°	136.6°
C05	C04	C18	H2	144.5°	104.2°
N06	C05	C04	C18	42.7°	0.5°
C05	N06	C07	C08	60.6°	90.0°
C05	N06	C07	C16	177.3°	179.9°
C05	N06	C16	C17	24.3°	17.7°
C05	N06	C16	H3	155.7°	162.2°
C05	N06	C07	H10	179.6°	150.0°
C05	N06	C07	H11	59.3°	30.0°
C04	C18	C17	H1	120.8°	120.3°
C04	C18	C17	H2	120.7°	120.4°
C04	C18	C17	C16	6.0°	16.2°
C04	C18	H1	H2	117.6°	119.3°
C04	C18	C17	H4	174.0°	163.9°
C18	C04	C05	H8	137.4°	179.5°
C07	C08	C09	H15	120.4°	119.9°
C07	C08	C09	H16	120.4°	120.1°
C08	C07	N06	H10	119.8°	120.0°
C08	C07	N06	H11	119.8°	120.0°
C08	C07	N06	C16	116.7°	89.9°
C07	C08	C09	C15	38.7°	90.0°
C07	C08	C09	C10	141.2°	90.0°
C08	C07	H10	H11	120.4°	120.0°
C07	C08	H15	H16	118.7°	120.0°
C09	C08	C07	N06	146.5°	180.0°
C08	C09	C15	C10	179.9°	180.0°
C08	C09	C15	C14	180.0°	180.0°
C08	C09	C10	C11	179.8°	180.0°
C08	C09	C15	H5	0.0°	0.2°
C09	C08	C07	H10	26.6°	60.1°
C09	C08	C07	H11	93.7°	60.0°
C09	C08	H15	H16	118.8°	120.1°
C08	C09	C10	H17	0.2°	0.0°
C07	N06	C16	C17	152.9°	162.2°
C07	N06	C16	H3	27.1°	17.8°
C07	N06	C05	H8	45.7°	17.6°
N06	C07	H10	H11	120.4°	120.0°
N06	C07	C08	H15	26.0°	60.0°
N06	C07	C08	H16	93.1°	60.0°
N06	C16	C17	C18	5.6°	0.4°
N06	C16	C17	H3	180.0°	179.9°
N06	C16	C17	H4	174.4°	179.7°
C16	N06	C05	H8	137.0°	162.5°
C16	N06	C07	H10	3.2°	30.0°
C16	N06	C07	H11	123.5°	150.1°
C18	C17	C16	H4	180.0°	179.9°
C17	C18	H1	H2	117.7°	119.4°
C18	C17	C16	H3	174.4°	179.7°
C09	C15	C14	H5	180.0°	179.7°
C15	C09	C10	C11	0.4°	0.0°
C09	C15	C14	C12	0.1°	0.3°
C09	C15	C14	H6	179.9°	179.8°
C15	C09	C08	H15	159.1°	29.9°
C15	C09	C08	H16	81.7°	149.9°
C15	C09	C10	H17	179.6°	180.0°
C10	C09	C15	C14	0.1°	0.0°
C09	C10	C11	H17	180.0°	180.0°
C09	C10	C11	C12	0.4°	0.2°
C10	C09	C15	H5	179.9°	179.7°
C10	C09	C08	H15	20.8°	150.0°
C10	C09	C08	H16	98.4°	30.0°
C09	C10	C11	H18	179.6°	180.0°
C15	C14	C12	H6	180.0°	179.9°
C15	C14	C12	C11	0.0°	0.6°
C15	C14	C12	O13	179.9°	180.0°
C16	C17	C18	H1	114.7°	136.5°
C16	C17	C18	H2	126.8°	104.2°
C10	C11	C12	C14	0.2°	0.5°
C10	C11	C12	H18	180.0°	179.8°
C10	C11	C12	O13	179.8°	180.0°
C14	C12	C11	O13	180.0°	179.4°
C12	C14	C15	H5	179.9°	180.0°
C14	C12	O13	H14	180.0°	90.0°
C14	C12	C11	H18	179.8°	179.7°
C11	C12	C14	H6	180.0°	179.5°
C11	C12	O13	H14	0.0°	89.4°
C12	C11	C10	H17	179.6°	179.7°
O13	C12	C14	H6	0.1°	0.1°
O13	C12	C11	H18	0.2°	0.3°
H1	C18	C17	H4	65.3°	43.6°
H2	C18	C17	H4	53.3°	75.7°
H3	C16	C17	H4	5.6°	0.2°
H5	C15	C14	H6	0.1°	0.1°
H10	C07	C08	H15	93.8°	180.0°
H10	C07	C08	H16	147.0°	60.0°
H11	C07	C08	H15	145.9°	60.0°
H11	C07	C08	H16	26.8°	179.9°
H17	C10	C11	H18	0.4°	0.0°

Release date:	2024-07-03
Definition date:	2023-09-22
Last modified:	2024-06-28
Release status:	REL
Processing site:	RCSB
Derived from:	8UAT