JGY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C04	C03	doub	1.35Å	1.35Å	Aromatic
C04	C05	sing	1.42Å	1.39Å	Aromatic
C03	N02	sing	1.35Å	1.37Å	Aromatic
O08	C07	doub	1.22Å	1.19Å
C05	C07	sing	1.48Å	1.35Å
C05	N06	doub	1.32Å	1.30Å	Aromatic
N02	C01	sing	1.47Å	1.46Å
N02	N06	sing	1.28Å	1.29Å	Aromatic
C07	N09	sing	1.35Å	1.34Å
N09	C10	sing	1.46Å	1.45Å
C10	C11	sing	1.53Å	1.57Å
C11	C12	sing	1.55Å	1.52Å
C11	O15	sing	1.44Å	1.37Å
C12	C13	sing	1.55Å	1.51Å
O15	C14	sing	1.43Å	1.35Å
C13	C14	sing	1.54Å	1.51Å
C10	H101	sing	1.09Å	1.10Å
C10	H102	sing	1.09Å	1.10Å
C13	H131	sing	1.09Å	1.10Å
C13	H132	sing	1.09Å	1.10Å
C01	H013	sing	1.09Å	1.10Å
C01	H011	sing	1.09Å	1.10Å
C01	H012	sing	1.09Å	1.10Å
C03	H031	sing	1.08Å	1.08Å
C04	H041	sing	1.08Å	1.08Å
N09	H091	sing	0.97Å	1.00Å
C11	H111	sing	1.09Å	1.10Å
C12	H122	sing	1.09Å	1.10Å
C12	H121	sing	1.09Å	1.10Å
C14	H142	sing	1.09Å	1.10Å
C14	H141	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C03	C04	C05	105.2°	105.5°
C04	C03	N02	105.3°	107.2°
C04	C03	H031	127.4°	126.3°
C03	C04	H041	127.4°	127.3°
C04	C05	C07	126.2°	126.5°
C04	C05	N06	110.6°	107.0°
C05	C04	H041	127.4°	127.2°
C03	N02	C01	124.0°	124.9°
C03	N02	N06	111.7°	110.2°
N02	C03	H031	127.3°	126.4°
O08	C07	C05	117.3°	120.0°
O08	C07	N09	117.1°	120.0°
C07	C05	N06	123.1°	126.5°
C05	C07	N09	125.6°	120.0°
C05	N06	N02	107.2°	110.1°
C01	N02	N06	124.2°	124.9°
N02	C01	H013	109.5°	109.4°
N02	C01	H011	109.5°	109.5°
N02	C01	H012	109.4°	109.5°
C07	N09	C10	124.5°	120.0°
C07	N09	H091	117.8°	120.0°
N09	C10	C11	116.2°	109.5°
N09	C10	H101	107.7°	109.5°
N09	C10	H102	107.8°	109.5°
C10	N09	H091	117.8°	120.0°
C10	C11	C12	115.7°	110.3°
C10	C11	O15	113.2°	110.3°
C11	C10	H101	107.8°	109.4°
C11	C10	H102	107.7°	109.5°
C10	C11	H111	106.6°	110.2°
C12	C11	O15	105.1°	105.1°
C11	C12	C13	102.4°	100.9°
C12	C11	H111	107.1°	110.3°
C11	C12	H122	111.2°	111.1°
C11	C12	H121	111.2°	111.1°
C11	O15	C14	111.5°	109.9°
O15	C11	H111	109.0°	110.4°
C12	C13	C14	105.8°	102.3°
C12	C13	H131	110.4°	110.8°
C12	C13	H132	110.4°	111.0°
C13	C12	H122	111.2°	111.2°
C13	C12	H121	111.2°	111.2°
O15	C14	C13	104.1°	107.6°
O15	C14	H142	110.8°	109.8°
O15	C14	H141	110.8°	109.9°
C14	C13	H131	110.4°	110.9°
C14	C13	H132	110.4°	110.8°
C13	C14	H142	110.8°	109.8°
C13	C14	H141	110.8°	109.9°
H101	C10	H102	109.5°	109.4°
H131	C13	H132	109.5°	110.8°
H013	C01	H011	109.5°	109.4°
H013	C01	H012	109.5°	109.5°
H011	C01	H012	109.5°	109.5°
H122	C12	H121	109.5°	111.0°
H142	C14	H141	109.5°	109.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C03	C04	C05	H041	180.0°	180.0°
C04	C03	N02	H031	180.0°	180.0°
C03	C04	C05	C07	177.9°	180.0°
C03	C04	C05	N06	0.1°	0.3°
C04	C03	N02	C01	179.1°	180.0°
C04	C03	N02	N06	0.6°	0.3°
C05	C04	C03	N02	0.3°	0.0°
C04	C05	C07	O08	33.8°	0.0°
C04	C05	C07	N06	177.8°	179.7°
C04	C05	N06	N02	0.5°	0.5°
C04	C05	C07	N09	148.7°	180.0°
C05	C04	C03	H031	179.7°	180.0°
C03	N02	N06	C05	0.7°	0.5°
C03	N02	C01	N06	178.3°	179.7°
C03	N02	C01	H013	178.3°	89.7°
C03	N02	C01	H011	58.3°	30.2°
C03	N02	C01	H012	61.7°	150.3°
N02	C03	C04	H041	179.7°	180.0°
O08	C07	C05	N09	177.4°	180.0°
O08	C07	C05	N06	144.0°	179.7°
O08	C07	N09	C10	0.6°	0.0°
O08	C07	N09	H091	179.4°	180.0°
C07	C05	N06	N02	177.6°	179.8°
C05	C07	N09	C10	178.0°	180.0°
C07	C05	C04	H041	2.1°	0.0°
C05	C07	N09	H091	2.0°	0.0°
C05	N06	N02	C01	179.2°	179.8°
N06	C05	C07	N09	33.4°	0.3°
N06	C05	C04	H041	179.9°	179.7°
N02	C01	H013	H011	120.0°	120.0°
N02	C01	H013	H012	120.0°	120.0°
N02	C01	H011	H012	120.0°	120.0°
C01	N02	C03	H031	0.9°	0.0°
N06	N02	C01	H013	0.0°	90.0°
N06	N02	C01	H011	120.0°	150.1°
N06	N02	C01	H012	120.0°	30.0°
N06	N02	C03	H031	179.4°	179.7°
C07	N09	C10	H091	180.0°	180.0°
C07	N09	C10	C11	141.6°	180.0°
C07	N09	C10	H101	20.6°	60.0°
C07	N09	C10	H102	97.4°	60.0°
N09	C10	C11	H101	121.0°	120.0°
N09	C10	C11	H102	121.0°	120.0°
N09	C10	C11	C12	68.0°	175.0°
N09	C10	C11	O15	53.3°	69.3°
N09	C10	H101	H102	116.9°	120.0°
N09	C10	C11	H111	173.1°	52.9°
C10	C11	C12	O15	125.5°	118.9°
C10	C11	C12	H111	118.6°	122.0°
C10	C11	O15	H111	118.4°	122.1°
C10	C11	C12	C13	145.0°	155.4°
C10	C11	O15	C14	161.5°	143.4°
C11	C10	H101	H102	116.9°	120.0°
C11	C10	N09	H091	38.4°	0.0°
C10	C11	C12	H122	26.2°	86.7°
C10	C11	C12	H121	96.1°	37.4°
C12	C11	O15	H111	114.6°	119.0°
C11	C12	C13	H122	118.8°	117.9°
C11	C12	C13	H121	118.9°	117.9°
C12	C11	O15	C14	34.4°	24.5°
C11	C12	C13	C14	0.9°	34.1°
C12	C11	C10	H101	53.0°	65.0°
C12	C11	C10	H102	171.0°	55.0°
C11	C12	C13	H131	120.3°	152.3°
C11	C12	C13	H132	118.6°	84.2°
C11	C12	H122	H121	123.3°	124.2°
O15	C11	C12	C13	19.5°	36.4°
C11	O15	C14	C13	33.4°	1.8°
O15	C11	C10	H101	174.2°	50.7°
O15	C11	C10	H102	67.7°	170.7°
O15	C11	C12	H122	99.4°	154.4°
O15	C11	C12	H121	138.4°	81.5°
C11	O15	C14	H142	85.8°	121.2°
C11	O15	C14	H141	152.5°	117.8°
C12	C13	C14	O15	18.3°	21.3°
C12	C13	C14	H131	119.4°	118.2°
C12	C13	C14	H132	119.4°	118.4°
C12	C13	H131	H132	121.7°	123.7°
C13	C12	C11	H111	96.4°	82.6°
C13	C12	H122	H121	123.3°	124.3°
C12	C13	C14	H142	100.9°	98.1°
C12	C13	C14	H141	137.4°	140.9°
O15	C14	C13	H142	119.2°	119.5°
O15	C14	C13	H141	119.1°	119.6°
O15	C14	C13	H131	101.1°	139.5°
O15	C14	C13	H132	137.7°	97.1°
C14	O15	C11	H111	80.1°	94.5°
O15	C14	H142	H141	122.5°	120.9°
C14	C13	H131	H132	121.7°	123.5°
C14	C13	C12	H122	118.0°	152.0°
C14	C13	C12	H121	119.8°	83.8°
C13	C14	H142	H141	122.5°	120.9°
H101	C10	N09	H091	159.4°	120.0°
H101	C10	C11	H111	66.0°	173.0°
H102	C10	N09	H091	82.6°	120.0°
H102	C10	C11	H111	52.1°	67.1°
H131	C13	C12	H122	1.4°	89.8°
H131	C13	C12	H121	120.8°	34.4°
H131	C13	C14	H142	139.7°	20.0°
H131	C13	C14	H141	18.0°	100.9°
H132	C13	C12	H122	122.6°	33.8°
H132	C13	C12	H121	0.3°	157.9°
H132	C13	C14	H142	18.6°	143.5°
H132	C13	C14	H141	103.1°	22.6°
H013	C01	H011	H012	120.0°	120.0°
H031	C03	C04	H041	0.3°	0.1°
H111	C11	C12	H122	144.8°	35.3°
H111	C11	C12	H121	22.5°	159.4°

Release date:	2018-10-10
Definition date:	2018-09-10
Last modified:	2018-10-05
Release status:	REL
Processing site:	RCSB
Derived from:	5QE2