QVC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C02	C01	sing	1.51Å	1.52Å
N03	C02	doub	1.30Å	1.33Å	Aromatic
O04	N03	sing	1.21Å	1.33Å	Aromatic
C05	O04	sing	1.34Å	1.31Å	Aromatic
N06	C05	doub	1.32Å	1.33Å	Aromatic
C07	C05	sing	1.48Å	1.52Å
C08	C07	doub	1.40Å	1.38Å	Aromatic
C09	C08	sing	1.38Å	1.39Å	Aromatic
N10	C09	doub	1.32Å	1.32Å	Aromatic
C11	N10	sing	1.33Å	1.32Å	Aromatic
C12	C11	doub	1.39Å	1.38Å	Aromatic
C13	C11	sing	1.48Å	1.52Å
C14	C13	doub	1.39Å	1.40Å	Aromatic
C15	C14	sing	1.38Å	1.39Å	Aromatic
N16	C15	doub	1.32Å	1.31Å	Aromatic
C17	N16	sing	1.33Å	1.35Å	Aromatic
N18	C17	sing	1.37Å	1.37Å	Aromatic
C19	N18	sing	1.37Å	1.33Å	Aromatic
C20	C19	doub	1.34Å	1.38Å	Aromatic
C21	C20	sing	1.46Å	1.42Å	Aromatic
C02	N06	sing	1.34Å	1.35Å	Aromatic
C07	C12	sing	1.40Å	1.38Å	Aromatic
C13	C21	sing	1.41Å	1.42Å	Aromatic
C17	C21	doub	1.41Å	1.36Å	Aromatic
C15	H151	sing	1.08Å	1.08Å
C14	H141	sing	1.08Å	1.08Å
C12	H121	sing	1.08Å	1.08Å
C20	H201	sing	1.08Å	1.08Å
C19	H191	sing	1.08Å	1.08Å
C01	H013	sing	1.09Å	1.10Å
C01	H012	sing	1.09Å	1.10Å
C01	H011	sing	1.09Å	1.10Å
C08	H081	sing	1.08Å	1.08Å
C09	H091	sing	1.08Å	1.08Å
N18	H181	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	C02	N03	126.1°	126.2°
C01	C02	N06	125.8°	126.2°
C02	C01	H013	109.5°	109.5°
C02	C01	H012	109.5°	109.5°
C02	C01	H011	109.5°	109.5°
C02	N03	O04	107.3°	110.5°
N03	C02	N06	108.1°	107.6°
N03	O04	C05	109.4°	109.7°
O04	C05	N06	108.2°	106.7°
O04	C05	C07	126.1°	126.6°
N06	C05	C07	125.7°	126.7°
C05	N06	C02	107.1°	105.6°
C05	C07	C08	121.3°	120.9°
C05	C07	C12	120.7°	120.9°
C07	C08	C09	119.3°	119.2°
C08	C07	C12	118.0°	118.2°
C07	C08	H081	120.3°	120.4°
C08	C09	N10	120.9°	121.0°
C09	C08	H081	120.4°	120.4°
C08	C09	H091	119.6°	119.5°
C09	N10	C11	121.3°	121.9°
N10	C09	H091	119.5°	119.4°
N10	C11	C12	120.9°	120.7°
N10	C11	C13	117.6°	119.7°
C12	C11	C13	121.5°	119.6°
C11	C12	C07	119.6°	118.9°
C11	C12	H121	120.2°	120.6°
C11	C13	C14	119.0°	121.1°
C11	C13	C21	121.8°	121.1°
C13	C14	C15	119.6°	119.3°
C14	C13	C21	119.2°	117.8°
C13	C14	H141	120.2°	120.4°
C14	C15	N16	118.8°	121.7°
C14	C15	H151	120.6°	119.1°
C15	C14	H141	120.2°	120.4°
C15	N16	C17	124.1°	122.0°
N16	C15	H151	120.6°	119.2°
N16	C17	N18	130.3°	133.1°
N16	C17	C21	120.4°	119.9°
C17	N18	C19	109.7°	109.9°
N18	C17	C21	109.3°	107.0°
C17	N18	H181	125.2°	125.0°
N18	C19	C20	107.9°	109.9°
N18	C19	H191	126.1°	125.1°
C19	N18	H181	125.1°	125.0°
C19	C20	C21	107.7°	106.9°
C19	C20	H201	126.2°	126.6°
C20	C19	H191	126.0°	125.0°
C20	C21	C13	136.6°	134.3°
C20	C21	C17	105.5°	106.3°
C21	C20	H201	126.2°	126.6°
C07	C12	H121	120.2°	120.5°
C13	C21	C17	117.9°	119.4°
H013	C01	H012	109.5°	109.5°
H013	C01	H011	109.5°	109.4°
H012	C01	H011	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C02	N03	N06	180.0°	179.8°
C01	C02	N03	O04	180.0°	180.0°
C01	C02	N06	C05	179.4°	180.0°
C02	C01	H013	H012	120.0°	120.0°
C02	C01	H013	H011	120.0°	120.0°
C02	C01	H012	H011	120.0°	120.0°
C02	N03	O04	C05	0.7°	0.1°
N03	C02	N06	C05	0.5°	0.2°
N03	C02	C01	H013	0.0°	89.8°
N03	C02	C01	H012	120.0°	30.3°
N03	C02	C01	H011	120.0°	150.3°
N03	O04	C05	N06	1.0°	0.1°
N03	O04	C05	C07	179.1°	180.0°
O04	N03	C02	N06	0.1°	0.2°
O04	C05	N06	C07	178.1°	180.0°
O04	C05	C07	C08	10.2°	180.0°
O04	C05	N06	C02	0.9°	0.2°
O04	C05	C07	C12	171.1°	0.0°
N06	C05	C07	C08	167.6°	0.0°
N06	C05	C07	C12	11.2°	180.0°
C05	C07	C08	C12	178.8°	180.0°
C05	C07	C08	C09	178.4°	180.0°
C05	C07	C12	C11	179.6°	180.0°
C07	C05	N06	C02	179.0°	179.8°
C05	C07	C12	H121	0.4°	0.3°
C05	C07	C08	H081	1.6°	0.0°
C07	C08	C09	H081	180.0°	180.0°
C07	C08	C09	N10	1.8°	0.3°
C08	C07	C12	C11	0.8°	0.0°
C08	C07	C12	H121	179.1°	179.7°
C07	C08	C09	H091	178.2°	180.0°
C08	C09	N10	H091	180.0°	179.7°
C08	C09	N10	C11	2.1°	0.6°
C09	C08	C07	C12	0.4°	0.1°
C09	N10	C11	C12	0.8°	0.6°
C09	N10	C11	C13	178.0°	179.4°
N10	C09	C08	H081	178.2°	179.7°
N10	C11	C12	C13	178.7°	180.0°
N10	C11	C13	C14	24.0°	179.9°
N10	C11	C12	C07	0.7°	0.3°
N10	C11	C13	C21	154.3°	0.1°
N10	C11	C12	H121	179.3°	180.0°
C11	N10	C09	H091	177.9°	179.7°
C12	C11	C13	C14	157.3°	0.0°
C11	C12	C07	H121	180.0°	179.7°
C12	C11	C13	C21	24.5°	180.0°
C11	C13	C14	C21	178.3°	180.0°
C11	C13	C14	C15	179.0°	180.0°
C11	C13	C21	C20	1.3°	0.0°
C13	C11	C12	C07	179.4°	179.7°
C11	C13	C21	C17	178.9°	180.0°
C11	C13	C14	H141	1.0°	0.1°
C13	C11	C12	H121	0.6°	0.0°
C13	C14	C15	H141	180.0°	179.9°
C13	C14	C15	N16	0.3°	0.1°
C14	C13	C21	C20	179.6°	180.0°
C14	C13	C21	C17	0.7°	0.0°
C13	C14	C15	H151	179.7°	179.9°
C14	C15	N16	H151	180.0°	179.9°
C14	C15	N16	C17	1.3°	0.1°
C15	C14	C13	C21	0.7°	0.0°
C15	N16	C17	N18	179.0°	179.7°
C15	N16	C17	C21	1.3°	0.1°
N16	C15	C14	H141	179.7°	179.8°
N16	C17	N18	C21	179.7°	179.8°
N16	C17	N18	C19	178.9°	179.9°
N16	C17	C21	C20	179.6°	180.0°
N16	C17	C21	C13	0.2°	0.1°
C17	N16	C15	H151	178.7°	180.0°
N16	C17	N18	H181	1.1°	0.1°
C17	N18	C19	H181	180.0°	179.9°
C17	N18	C19	C20	1.1°	0.2°
N18	C17	C21	C20	0.2°	0.2°
N18	C17	C21	C13	180.0°	179.8°
C17	N18	C19	H191	178.9°	179.8°
N18	C19	C20	H191	180.0°	180.0°
N18	C19	C20	C21	1.0°	0.1°
C19	N18	C17	C21	0.8°	0.2°
N18	C19	C20	H201	179.0°	180.0°
C19	C20	C21	H201	180.0°	179.9°
C19	C20	C21	C13	179.3°	179.9°
C19	C20	C21	C17	0.5°	0.1°
C20	C19	N18	H181	178.9°	179.9°
C20	C21	C13	C17	179.7°	180.0°
C21	C20	C19	H191	179.0°	180.0°
N06	C02	C01	H013	179.9°	90.0°
N06	C02	C01	H012	60.0°	150.0°
N06	C02	C01	H011	60.1°	30.0°
C12	C07	C08	H081	179.7°	180.0°
C21	C13	C14	H141	179.3°	179.9°
C13	C21	C20	H201	0.7°	0.2°
C17	C21	C20	H201	179.5°	179.8°
C21	C17	N18	H181	179.1°	179.9°
H151	C15	C14	H141	0.3°	0.0°
H201	C20	C19	H191	1.0°	0.1°
H191	C19	N18	H181	1.2°	0.0°
H013	C01	H012	H011	120.0°	120.0°
H081	C08	C09	H091	1.8°	0.0°

Release date:	2022-07-06
Definition date:	2022-06-14
Last modified:	2022-07-01
Release status:	REL
Processing site:	RCSB
Derived from:	5SQS