QP4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F07	C03	sing	1.35Å	1.35Å
N18	C23	doub	1.32Å	1.46Å	Aromatic
N18	C19	sing	1.34Å	1.52Å	Aromatic
C04	C03	doub	1.39Å	1.52Å	Aromatic
C04	C05	sing	1.38Å	1.52Å	Aromatic
C23	C22	sing	1.38Å	1.48Å	Aromatic
C03	C02	sing	1.38Å	1.52Å	Aromatic
C19	N25	sing	1.36Å	1.37Å
C19	C20	doub	1.40Å	1.39Å	Aromatic
N25	C26	doub	1.30Å	1.37Å
C05	C06	doub	1.39Å	1.52Å	Aromatic
C22	C21	doub	1.41Å	1.47Å	Aromatic
C02	C01	doub	1.38Å	1.52Å	Aromatic
C28	C29	doub	1.38Å	1.52Å	Aromatic
C28	C27	sing	1.40Å	1.53Å	Aromatic
C20	C21	sing	1.39Å	1.54Å	Aromatic
C20	C24	sing	1.51Å	1.37Å
C26	C27	sing	1.47Å	1.51Å
C26	C24	sing	1.52Å	1.39Å
C29	C31	sing	1.38Å	1.53Å	Aromatic
C21	C09	sing	1.47Å	1.53Å
C06	C01	sing	1.40Å	1.52Å	Aromatic
C06	C08	sing	1.48Å	1.52Å
C27	C30	doub	1.40Å	1.52Å	Aromatic
C31	C32	doub	1.38Å	1.52Å	Aromatic
C09	C08	doub	1.38Å	1.36Å	Aromatic
C09	N10	sing	1.38Å	1.32Å	Aromatic
C08	N12	sing	1.35Å	1.31Å	Aromatic
C30	C32	sing	1.38Å	1.52Å	Aromatic
N10	C11	sing	1.35Å	1.35Å	Aromatic
N12	C11	doub	1.30Å	1.34Å	Aromatic
C11	C13	sing	1.51Å	1.54Å
C17	O16	sing	1.43Å	1.40Å
O16	C15	sing	1.43Å	1.40Å
C13	C14	sing	1.53Å	1.53Å
C14	C15	sing	1.53Å	1.53Å
C13	H1	sing	1.09Å	1.10Å
C13	H2	sing	1.09Å	1.10Å
C14	H3	sing	1.09Å	1.10Å
C14	H4	sing	1.09Å	1.10Å
C15	H5	sing	1.09Å	1.10Å
C15	H6	sing	1.09Å	1.10Å
C17	H7	sing	1.09Å	1.10Å
C17	H8	sing	1.09Å	1.10Å
C17	H9	sing	1.09Å	1.10Å
C01	H10	sing	1.08Å	1.08Å
C02	H11	sing	1.08Å	1.08Å
C04	H12	sing	1.08Å	1.08Å
C05	H13	sing	1.08Å	1.08Å
C22	H14	sing	1.08Å	1.08Å
C23	H15	sing	1.08Å	1.08Å
C24	H16	sing	1.09Å	1.10Å
C24	H17	sing	1.09Å	1.10Å
C28	H18	sing	1.08Å	1.08Å
C29	H19	sing	1.08Å	1.08Å
C30	H20	sing	1.08Å	1.08Å
C31	H21	sing	1.08Å	1.08Å
C32	H22	sing	1.08Å	1.08Å
N10	H23	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F07	C03	C04	120.7°	119.9°
F07	C03	C02	118.1°	119.9°
C23	N18	C19	120.0°	122.2°
N18	C23	C22	119.2°	121.6°
N18	C23	H15	120.4°	119.2°
N18	C19	N25	130.2°	130.9°
N18	C19	C20	121.5°	119.2°
C03	C04	C05	118.9°	120.1°
C04	C03	C02	121.1°	120.2°
C03	C04	H12	120.5°	119.9°
C04	C05	C06	119.8°	120.0°
C05	C04	H12	120.5°	120.0°
C04	C05	H13	120.1°	120.1°
C23	C22	C21	121.0°	118.8°
C23	C22	H14	119.5°	120.7°
C22	C23	H15	120.4°	119.2°
C03	C02	C01	119.7°	120.1°
C03	C02	H11	120.2°	120.0°
N25	C19	C20	108.3°	109.9°
C19	N25	C26	107.7°	113.9°
C19	C20	C21	119.5°	120.4°
C19	C20	C24	107.7°	105.6°
N25	C26	C27	123.8°	126.2°
N25	C26	C24	108.8°	107.5°
C05	C06	C01	121.0°	119.7°
C05	C06	C08	120.7°	120.2°
C06	C05	H13	120.1°	120.0°
C22	C21	C20	118.7°	117.9°
C22	C21	C09	119.1°	121.1°
C21	C22	H14	119.5°	120.6°
C02	C01	C06	119.3°	119.9°
C02	C01	H10	120.4°	120.1°
C01	C02	H11	120.1°	119.9°
C29	C28	C27	120.1°	119.8°
C28	C29	C31	119.5°	120.2°
C29	C28	H18	120.0°	120.1°
C28	C29	H19	120.3°	119.9°
C28	C27	C26	118.9°	120.2°
C28	C27	C30	120.6°	119.6°
C27	C28	H18	120.0°	120.1°
C21	C20	C24	132.7°	134.1°
C20	C21	C09	122.2°	121.1°
C20	C24	C26	107.4°	103.1°
C20	C24	H16	110.0°	110.7°
C20	C24	H17	110.0°	110.7°
C27	C26	C24	127.3°	126.3°
C26	C27	C30	120.5°	120.2°
C26	C24	H16	110.0°	110.7°
C26	C24	H17	110.0°	110.8°
C29	C31	C32	120.1°	120.3°
C31	C29	H19	120.2°	119.9°
C29	C31	H21	120.0°	119.9°
C21	C09	C08	127.1°	127.0°
C21	C09	N10	125.8°	126.9°
C01	C06	C08	118.3°	120.1°
C06	C01	H10	120.4°	120.1°
C06	C08	C09	128.0°	126.3°
C06	C08	N12	123.6°	126.3°
C27	C30	C32	119.1°	119.8°
C27	C30	H20	120.4°	120.1°
C31	C32	C30	120.7°	120.1°
C32	C31	H21	120.0°	119.8°
C31	C32	H22	119.7°	120.0°
C08	C09	N10	107.0°	106.1°
C09	C08	N12	108.4°	107.4°
C09	N10	C11	108.7°	107.4°
C09	N10	H23	125.6°	126.3°
C08	N12	C11	108.7°	109.6°
C32	C30	H20	120.5°	120.1°
C30	C32	H22	119.7°	119.9°
N10	C11	N12	107.2°	109.5°
N10	C11	C13	127.5°	125.2°
C11	N10	H23	125.6°	126.3°
N12	C11	C13	125.3°	125.2°
C11	C13	C14	111.1°	109.5°
C11	C13	H1	109.1°	109.4°
C11	C13	H2	109.1°	109.5°
C17	O16	C15	113.0°	114.0°
O16	C17	H7	109.5°	109.5°
O16	C17	H8	109.5°	109.4°
O16	C17	H9	109.4°	109.5°
O16	C15	C14	109.8°	109.5°
O16	C15	H5	109.4°	109.5°
O16	C15	H6	109.4°	109.5°
C13	C14	C15	108.5°	109.5°
C14	C13	H1	109.1°	109.5°
C14	C13	H2	109.1°	109.5°
C13	C14	H3	109.7°	109.5°
C13	C14	H4	109.7°	109.5°
C15	C14	H3	109.7°	109.5°
C15	C14	H4	109.7°	109.5°
C14	C15	H5	109.4°	109.5°
C14	C15	H6	109.4°	109.5°
H1	C13	H2	109.4°	109.5°
H3	C14	H4	109.5°	109.4°
H5	C15	H6	109.5°	109.5°
H7	C17	H8	109.5°	109.4°
H7	C17	H9	109.5°	109.5°
H8	C17	H9	109.5°	109.5°
H16	C24	H17	109.4°	110.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F07	C03	C04	C02	179.2°	179.9°
F07	C03	C04	C05	179.4°	179.9°
F07	C03	C02	C01	180.0°	179.9°
F07	C03	C02	H11	0.1°	0.1°
F07	C03	C04	H12	0.6°	0.0°
N18	C23	C22	H15	180.0°	179.4°
C23	N18	C19	N25	179.6°	179.4°
C23	N18	C19	C20	0.7°	0.4°
N18	C23	C22	C21	1.4°	0.5°
N18	C23	C22	H14	178.6°	179.4°
C19	N18	C23	C22	1.2°	0.8°
N18	C19	N25	C20	179.0°	179.9°
N18	C19	N25	C26	179.9°	180.0°
N18	C19	C20	C21	0.4°	0.1°
N18	C19	C20	C24	179.9°	179.8°
C19	N18	C23	H15	178.8°	179.8°
C03	C04	C05	H12	180.0°	179.9°
C03	C04	C05	C06	1.0°	0.3°
C04	C03	C02	C01	0.7°	0.0°
C04	C03	C02	H11	179.3°	180.0°
C03	C04	C05	H13	179.1°	180.0°
C05	C04	C03	C02	0.2°	0.0°
C04	C05	C06	H13	180.0°	179.7°
C04	C05	C06	C01	1.6°	0.5°
C04	C05	C06	C08	179.3°	180.0°
C23	C22	C21	H14	180.0°	179.9°
C23	C22	C21	C20	1.1°	0.0°
C23	C22	C21	C09	179.4°	180.0°
C03	C02	C01	H11	180.0°	180.0°
C03	C02	C01	C06	0.0°	0.3°
C03	C02	C01	H10	179.9°	180.0°
C02	C03	C04	H12	179.8°	179.9°
N25	C19	C20	C21	179.5°	180.0°
N25	C19	C20	C24	0.8°	0.3°
C19	N25	C26	C27	179.8°	179.8°
C19	N25	C26	C24	0.9°	0.1°
C20	C19	N25	C26	1.0°	0.1°
C19	C20	C21	C22	0.5°	0.3°
C19	C20	C21	C24	179.6°	179.6°
C19	C20	C24	C26	0.3°	0.3°
C19	C20	C21	C09	178.9°	179.7°
C19	C20	C24	H16	119.9°	118.7°
C19	C20	C24	H17	119.4°	118.3°
N25	C26	C27	C28	12.0°	179.4°
N25	C26	C24	C20	0.4°	0.2°
N25	C26	C27	C24	178.7°	179.7°
N25	C26	C27	C30	169.5°	0.4°
N25	C26	C24	H16	119.3°	118.6°
N25	C26	C24	H17	120.1°	118.2°
C05	C06	C01	C02	1.1°	0.5°
C05	C06	C01	C08	177.8°	179.5°
C05	C06	C08	C09	48.7°	138.5°
C05	C06	C08	N12	129.2°	41.4°
C05	C06	C01	H10	178.9°	179.7°
C06	C05	C04	H12	179.0°	179.8°
C22	C21	C20	C09	178.3°	180.0°
C22	C21	C20	C24	179.8°	180.0°
C22	C21	C09	C08	32.7°	114.3°
C22	C21	C09	N10	145.0°	66.0°
C21	C22	C23	H15	178.6°	180.0°
C02	C01	C06	H10	180.0°	179.8°
C02	C01	C06	C08	178.9°	180.0°
C29	C28	C27	H18	180.0°	179.9°
C29	C28	C27	C26	179.2°	179.9°
C28	C29	C31	H19	180.0°	180.0°
C29	C28	C27	C30	0.7°	0.3°
C28	C29	C31	C32	0.2°	0.3°
C28	C29	C31	H21	179.8°	180.0°
C28	C27	C26	C30	178.5°	179.8°
C28	C27	C26	C24	166.7°	0.2°
C27	C28	C29	C31	0.1°	0.0°
C28	C27	C30	C32	1.1°	0.2°
C27	C28	C29	H19	179.9°	180.0°
C28	C27	C30	H20	178.9°	179.7°
C21	C20	C24	C26	179.9°	179.9°
C20	C21	C09	C08	149.0°	65.8°
C20	C21	C09	N10	33.3°	113.9°
C20	C21	C22	H14	178.9°	180.0°
C21	C20	C24	H16	60.4°	61.7°
C21	C20	C24	H17	60.2°	61.4°
C20	C24	C26	C27	179.2°	179.9°
C20	C24	C26	H16	119.7°	118.4°
C20	C24	C26	H17	119.7°	118.4°
C24	C20	C21	C09	1.5°	0.1°
C20	C24	H16	H17	121.0°	123.1°
C26	C27	C30	C32	179.5°	180.0°
C27	C26	C24	H16	59.5°	61.7°
C27	C26	C24	H17	61.1°	61.5°
C26	C27	C28	H18	0.8°	0.0°
C26	C27	C30	H20	0.4°	0.1°
C24	C26	C27	C30	11.8°	180.0°
C26	C24	H16	H17	120.9°	123.3°
C29	C31	C32	H21	180.0°	179.6°
C29	C31	C32	C30	0.2°	0.4°
C31	C29	C28	H18	179.9°	179.9°
C29	C31	C32	H22	179.8°	179.7°
C21	C09	C08	C06	2.7°	0.1°
C21	C09	C08	N10	178.1°	179.7°
C21	C09	C08	N12	179.1°	179.8°
C21	C09	N10	C11	179.0°	179.9°
C09	C21	C22	H14	0.6°	0.1°
C21	C09	N10	H23	1.0°	0.1°
C01	C06	C08	C09	133.5°	42.0°
C01	C06	C08	N12	48.5°	138.1°
C06	C01	C02	H11	180.0°	179.8°
C01	C06	C05	H13	178.4°	179.7°
C06	C08	C09	N12	178.2°	179.9°
C06	C08	C09	N10	179.2°	179.8°
C06	C08	N12	C11	179.1°	180.0°
C08	C06	C01	H10	1.1°	0.2°
C08	C06	C05	H13	0.7°	0.2°
C27	C30	C32	C31	0.8°	0.1°
C27	C30	C32	H20	180.0°	179.9°
C30	C27	C28	H18	179.3°	179.8°
C27	C30	C32	H22	179.2°	180.0°
C31	C32	C30	H22	180.0°	179.9°
C32	C31	C29	H19	179.9°	179.6°
C31	C32	C30	H20	179.2°	180.0°
C08	C09	N10	C11	0.9°	0.2°
C09	C08	N12	C11	0.8°	0.1°
C08	C09	N10	H23	179.1°	179.8°
N10	C09	C08	N12	1.0°	0.1°
C09	N10	C11	H23	180.0°	180.0°
C09	N10	C11	N12	0.4°	0.3°
C09	N10	C11	C13	179.9°	180.0°
C08	N12	C11	N10	0.3°	0.2°
C08	N12	C11	C13	179.5°	180.0°
C30	C32	C31	H21	179.8°	180.0°
N10	C11	N12	C13	179.8°	179.7°
N10	C11	C13	C14	46.9°	125.0°
N10	C11	C13	H1	73.4°	115.0°
N10	C11	C13	H2	167.1°	5.0°
N12	C11	C13	C14	133.4°	55.3°
N12	C11	C13	H1	106.3°	64.7°
N12	C11	C13	H2	13.2°	175.3°
N12	C11	N10	H23	179.6°	179.8°
C11	C13	C14	H1	120.3°	120.0°
C11	C13	C14	H2	120.3°	120.0°
C11	C13	C14	C15	90.1°	180.0°
C11	C13	H1	H2	119.3°	120.0°
C11	C13	C14	H3	150.0°	59.9°
C11	C13	C14	H4	29.7°	60.0°
C13	C11	N10	H23	0.2°	0.0°
C17	O16	C15	C14	107.5°	180.0°
C17	O16	C15	H5	12.6°	60.0°
C17	O16	C15	H6	132.5°	60.0°
O16	C17	H7	H8	120.0°	119.9°
O16	C17	H7	H9	120.0°	120.0°
O16	C17	H8	H9	120.0°	120.0°
O16	C15	C14	C13	77.1°	180.0°
O16	C15	C14	H5	120.1°	120.0°
O16	C15	C14	H6	120.1°	120.0°
O16	C15	C14	H3	163.1°	60.0°
O16	C15	C14	H4	42.8°	60.0°
O16	C15	H5	H6	119.9°	120.0°
C15	O16	C17	H7	180.0°	60.0°
C15	O16	C17	H8	60.0°	179.9°
C15	O16	C17	H9	60.0°	60.0°
C13	C14	C15	H3	119.9°	120.0°
C13	C14	C15	H4	119.9°	120.0°
C14	C13	H1	H2	119.2°	120.0°
C13	C14	H3	H4	120.4°	119.9°
C13	C14	C15	H5	162.9°	60.0°
C13	C14	C15	H6	43.0°	60.0°
C15	C14	C13	H1	30.2°	60.0°
C15	C14	C13	H2	149.6°	60.0°
C15	C14	H3	H4	120.4°	120.0°
C14	C15	H5	H6	119.8°	120.0°
H1	C13	C14	H3	89.7°	179.9°
H1	C13	C14	H4	150.0°	60.0°
H2	C13	C14	H3	29.7°	60.1°
H2	C13	C14	H4	90.5°	180.0°
H3	C14	C15	H5	43.0°	180.0°
H3	C14	C15	H6	76.9°	60.0°
H4	C14	C15	H5	77.3°	60.0°
H4	C14	C15	H6	162.8°	180.0°
H7	C17	H8	H9	120.0°	120.0°
H10	C01	C02	H11	0.0°	0.0°
H12	C04	C05	H13	1.0°	0.1°
H14	C22	C23	H15	1.4°	0.0°
H18	C28	C29	H19	0.1°	0.1°
H19	C29	C31	H21	0.1°	0.0°
H20	C30	C32	H22	0.8°	0.0°
H21	C31	C32	H22	0.2°	0.0°

Release date:	2020-04-22
Definition date:	2019-12-05
Last modified:	2020-04-17
Release status:	REL
Processing site:	RCSB
Derived from:	6V5P