QW4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C22	C21	doub	1.38Å	1.40Å	Aromatic
C22	C23	sing	1.39Å	1.40Å	Aromatic
C21	C20	sing	1.39Å	1.40Å	Aromatic
O03	C02	doub	1.21Å	1.18Å
C23	C24	doub	1.37Å	1.38Å	Aromatic
C20	S19	sing	1.76Å	1.75Å	Aromatic
C20	C25	doub	1.40Å	1.38Å	Aromatic
S19	C06	sing	1.76Å	1.75Å	Aromatic
C24	C25	sing	1.41Å	1.43Å	Aromatic
C25	N05	sing	1.34Å	1.36Å	Aromatic
C02	C01	sing	1.51Å	1.53Å
C02	C04	sing	1.51Å	1.54Å
N05	C06	doub	1.30Å	1.32Å	Aromatic
N05	C04	sing	1.47Å	1.47Å
C06	C07	sing	1.41Å	1.53Å
C09	C10	doub	1.35Å	1.40Å
C09	C08	sing	1.47Å	1.38Å
C10	N11	sing	1.37Å	1.35Å
C07	C08	doub	1.38Å	1.32Å
C08	C18	sing	1.48Å	1.41Å
N11	C12	sing	1.47Å	1.46Å
N11	C13	sing	1.38Å	1.39Å
C18	C13	doub	1.41Å	1.36Å	Aromatic
C18	C17	sing	1.39Å	1.43Å	Aromatic
C13	C14	sing	1.39Å	1.43Å	Aromatic
C17	C16	doub	1.38Å	1.39Å	Aromatic
C14	C15	doub	1.38Å	1.40Å	Aromatic
C16	C15	sing	1.39Å	1.40Å	Aromatic
C10	H1	sing	1.08Å	1.08Å
C12	H2	sing	1.09Å	1.10Å
C12	H3	sing	1.09Å	1.10Å
C12	H4	sing	1.09Å	1.10Å
C01	H5	sing	1.09Å	1.10Å
C01	H6	sing	1.09Å	1.10Å
C01	H7	sing	1.09Å	1.10Å
C04	H8	sing	1.09Å	1.10Å
C04	H9	sing	1.09Å	1.10Å
C07	H10	sing	1.08Å	1.08Å
C09	H12	sing	1.08Å	1.08Å
C14	H13	sing	1.08Å	1.08Å
C15	H14	sing	1.08Å	1.08Å
C16	H15	sing	1.08Å	1.08Å
C17	H16	sing	1.08Å	1.08Å
C21	H17	sing	1.08Å	1.08Å
C22	H18	sing	1.08Å	1.08Å
C23	H19	sing	1.08Å	1.08Å
C24	H20	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C21	C22	C23	120.6°	120.0°
C22	C21	C20	120.4°	120.2°
C22	C21	H17	119.8°	119.9°
C21	C22	H18	119.7°	120.0°
C22	C23	C24	119.4°	120.6°
C23	C22	H18	119.7°	120.0°
C22	C23	H19	120.3°	119.7°
C21	C20	S19	134.9°	131.1°
C21	C20	C25	119.2°	120.4°
C20	C21	H17	119.8°	119.9°
O03	C02	C01	118.7°	120.0°
O03	C02	C04	122.0°	120.0°
C23	C24	C25	120.0°	120.4°
C24	C23	H19	120.3°	119.7°
C23	C24	H20	120.0°	119.8°
S19	C20	C25	105.9°	108.6°
C20	S19	C06	93.3°	90.5°
C20	C25	C24	120.5°	118.4°
C20	C25	N05	116.5°	112.9°
S19	C06	N05	108.5°	110.2°
S19	C06	C07	129.9°	124.9°
C24	C25	N05	123.0°	128.7°
C25	C24	H20	120.0°	119.8°
C25	N05	C06	115.8°	117.8°
C25	N05	C04	122.6°	121.1°
C01	C02	C04	119.2°	120.0°
C02	C01	H5	109.5°	109.5°
C02	C01	H6	109.4°	109.5°
C02	C01	H7	109.5°	109.5°
C02	C04	N05	122.5°	109.5°
C02	C04	H8	106.1°	109.4°
C02	C04	H9	106.1°	109.5°
C06	N05	C04	121.6°	121.1°
N05	C06	C07	121.6°	124.9°
N05	C04	H8	106.1°	109.5°
N05	C04	H9	106.1°	109.5°
C06	C07	C08	127.4°	120.0°
C06	C07	H10	116.3°	120.0°
C10	C09	C08	118.8°	119.0°
C09	C10	N11	120.4°	122.0°
C09	C10	H1	119.8°	119.0°
C10	C09	H12	120.6°	120.5°
C09	C08	C07	124.3°	121.6°
C09	C08	C18	120.1°	116.9°
C08	C09	H12	120.6°	120.5°
C10	N11	C12	118.8°	119.2°
C10	N11	C13	121.5°	121.8°
N11	C10	H1	119.8°	119.0°
C07	C08	C18	115.5°	121.6°
C08	C07	H10	116.3°	120.0°
C08	C18	C13	119.9°	118.2°
C08	C18	C17	119.3°	121.7°
C12	N11	C13	119.7°	119.1°
N11	C12	H2	109.5°	109.4°
N11	C12	H3	109.5°	109.5°
N11	C12	H4	109.4°	109.5°
N11	C13	C18	119.3°	119.4°
N11	C13	C14	121.8°	121.2°
C13	C18	C17	120.8°	120.1°
C18	C13	C14	118.9°	119.4°
C18	C17	C16	120.5°	119.6°
C18	C17	H16	119.7°	120.1°
C13	C14	C15	120.2°	119.9°
C13	C14	H13	119.9°	120.0°
C17	C16	C15	118.8°	120.3°
C17	C16	H15	120.6°	119.9°
C16	C17	H16	119.7°	120.2°
C14	C15	C16	120.7°	120.7°
C15	C14	H13	119.9°	120.1°
C14	C15	H14	119.6°	119.7°
C16	C15	H14	119.7°	119.6°
C15	C16	H15	120.6°	119.9°
H2	C12	H3	109.5°	109.4°
H2	C12	H4	109.5°	109.5°
H3	C12	H4	109.5°	109.5°
H5	C01	H6	109.5°	109.5°
H5	C01	H7	109.4°	109.5°
H6	C01	H7	109.5°	109.5°
H8	C04	H9	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C21	C22	C23	H18	180.0°	180.0°
C22	C21	C20	H17	180.0°	179.9°
C21	C22	C23	C24	0.3°	0.1°
C22	C21	C20	S19	179.8°	180.0°
C22	C21	C20	C25	0.6°	0.2°
C21	C22	C23	H19	179.7°	180.0°
C23	C22	C21	C20	0.5°	0.0°
C22	C23	C24	H19	180.0°	179.9°
C22	C23	C24	C25	0.2°	0.1°
C23	C22	C21	H17	179.5°	180.0°
C22	C23	C24	H20	179.9°	180.0°
C21	C20	S19	C25	179.7°	179.8°
C21	C20	S19	C06	179.8°	180.0°
C21	C20	C25	C24	0.5°	0.4°
C21	C20	C25	N05	179.3°	179.9°
C20	C21	C22	H18	179.5°	180.0°
O03	C02	C01	C04	178.0°	180.0°
O03	C02	C04	N05	33.9°	0.0°
O03	C02	C01	H5	0.0°	180.0°
O03	C02	C01	H6	120.0°	60.0°
O03	C02	C01	H7	120.0°	60.0°
O03	C02	C04	H8	87.9°	120.0°
O03	C02	C04	H9	155.7°	120.0°
C23	C24	C25	C20	0.2°	0.4°
C23	C24	C25	H20	180.0°	179.9°
C23	C24	C25	N05	179.0°	180.0°
C24	C23	C22	H18	179.7°	180.0°
S19	C20	C25	C24	179.8°	179.8°
S19	C20	C25	N05	1.0°	0.1°
C20	S19	C06	N05	0.6°	0.2°
C20	S19	C06	C07	179.8°	180.0°
S19	C20	C21	H17	0.2°	0.1°
C25	C20	S19	C06	0.2°	0.2°
C20	C25	C24	N05	178.8°	179.6°
C20	C25	N05	C06	1.6°	0.1°
C20	C25	N05	C04	178.6°	179.9°
C25	C20	C21	H17	179.4°	179.7°
C20	C25	C24	H20	179.8°	179.8°
S19	C06	N05	C25	1.3°	0.2°
S19	C06	N05	C07	179.3°	179.7°
S19	C06	N05	C04	178.3°	179.8°
S19	C06	C07	C08	0.2°	6.9°
S19	C06	C07	H10	179.8°	173.1°
C24	C25	N05	C06	179.6°	179.5°
C24	C25	N05	C04	2.6°	0.5°
C25	C24	C23	H19	179.8°	179.8°
C25	N05	C04	C02	89.0°	90.0°
C25	N05	C06	C04	177.0°	180.0°
C25	N05	C06	C07	179.4°	180.0°
C25	N05	C04	H8	32.8°	30.0°
C25	N05	C04	H9	149.2°	150.0°
N05	C25	C24	H20	1.0°	0.2°
C01	C02	C04	N05	148.2°	180.0°
C02	C01	H5	H6	120.0°	120.0°
C02	C01	H5	H7	120.0°	120.0°
C02	C01	H6	H7	120.0°	120.0°
C01	C02	C04	H8	90.0°	60.0°
C01	C02	C04	H9	26.4°	60.0°
C02	C04	N05	C06	94.2°	90.0°
C02	C04	N05	H8	121.8°	119.9°
C02	C04	N05	H9	121.8°	120.0°
C04	C02	C01	H5	178.0°	0.0°
C04	C02	C01	H6	62.0°	120.0°
C04	C02	C01	H7	58.0°	120.0°
C02	C04	H8	H9	114.1°	120.0°
N05	C06	C07	C08	178.9°	172.8°
C06	N05	C04	H8	144.0°	150.1°
C06	N05	C04	H9	27.6°	30.0°
N05	C06	C07	H10	1.1°	7.2°
C04	N05	C06	C07	2.4°	0.0°
N05	C04	H8	H9	114.1°	120.0°
C06	C07	C08	C09	2.5°	11.7°
C06	C07	C08	H10	180.0°	179.9°
C06	C07	C08	C18	177.3°	168.3°
C10	C09	C08	H12	180.0°	180.0°
C09	C10	N11	H1	180.0°	179.8°
C10	C09	C08	C07	179.6°	167.3°
C10	C09	C08	C18	0.2°	12.8°
C09	C10	N11	C12	179.5°	165.4°
C09	C10	N11	C13	0.1°	14.6°
C08	C09	C10	N11	0.1°	0.2°
C09	C08	C07	C18	179.8°	179.9°
C09	C08	C18	C13	0.2°	12.2°
C09	C08	C18	C17	179.7°	167.8°
C08	C09	C10	H1	180.0°	180.0°
C09	C08	C07	H10	177.4°	168.3°
C10	N11	C12	C13	179.5°	180.0°
C10	N11	C13	C18	0.1°	14.7°
C10	N11	C13	C14	179.7°	166.1°
C10	N11	C12	H2	180.0°	0.0°
C10	N11	C12	H3	60.0°	120.0°
C10	N11	C12	H4	60.0°	120.0°
N11	C10	C09	H12	180.0°	179.8°
C07	C08	C18	C13	179.6°	167.9°
C07	C08	C18	C17	0.4°	12.1°
C07	C08	C09	H12	0.4°	12.7°
C08	C18	C13	N11	0.1°	0.9°
C08	C18	C13	C17	179.9°	180.0°
C08	C18	C13	C14	179.8°	179.8°
C08	C18	C17	C16	179.8°	179.9°
C18	C08	C07	H10	2.7°	11.6°
C18	C08	C09	H12	179.8°	167.2°
C08	C18	C17	H16	0.2°	0.1°
C12	N11	C13	C18	179.5°	165.3°
C12	N11	C13	C14	0.2°	13.9°
C12	N11	C10	H1	0.4°	14.4°
N11	C12	H2	H3	120.0°	120.0°
N11	C12	H2	H4	120.0°	120.0°
N11	C12	H3	H4	120.0°	120.0°
N11	C13	C18	C14	179.8°	179.3°
N11	C13	C18	C17	179.9°	179.1°
N11	C13	C14	C15	179.9°	179.2°
C13	N11	C10	H1	179.9°	165.6°
C13	N11	C12	H2	0.5°	180.0°
C13	N11	C12	H3	119.5°	60.0°
C13	N11	C12	H4	120.5°	60.0°
N11	C13	C14	H13	0.1°	0.9°
C13	C18	C17	C16	0.3°	0.2°
C18	C13	C14	C15	0.1°	0.1°
C18	C13	C14	H13	179.9°	179.9°
C13	C18	C17	H16	179.7°	179.9°
C17	C18	C13	C14	0.1°	0.2°
C18	C17	C16	H16	180.0°	180.0°
C18	C17	C16	C15	0.7°	0.0°
C18	C17	C16	H15	179.3°	180.0°
C13	C14	C15	H13	180.0°	180.0°
C13	C14	C15	C16	0.3°	0.0°
C13	C14	C15	H14	179.8°	180.0°
C17	C16	C15	C14	0.6°	0.1°
C17	C16	C15	H15	180.0°	180.0°
C17	C16	C15	H14	179.4°	180.0°
C14	C15	C16	H14	180.0°	179.9°
C14	C15	C16	H15	179.4°	179.9°
C16	C15	C14	H13	179.8°	180.0°
C15	C16	C17	H16	179.3°	180.0°
H1	C10	C09	H12	0.0°	0.0°
H2	C12	H3	H4	120.0°	120.0°
H5	C01	H6	H7	120.0°	120.0°
H13	C14	C15	H14	0.2°	0.0°
H14	C15	C16	H15	0.6°	0.1°
H15	C16	C17	H16	0.7°	0.0°
H17	C21	C22	H18	0.5°	0.1°
H18	C22	C23	H19	0.4°	0.0°
H19	C23	C24	H20	0.2°	0.1°

Release date:	2020-05-20
Definition date:	2020-01-03
Last modified:	2020-05-15
Release status:	REL
Processing site:	RCSB
Derived from:	6V9D