JGV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	N09	sing	1.47Å	1.44Å
C10	C11	sing	1.53Å	1.56Å
C13	O12	sing	1.43Å	1.40Å
C13	C14	sing	1.53Å	1.58Å
C01	C02	doub	1.38Å	1.33Å	Aromatic
C01	C06	sing	1.40Å	1.28Å	Aromatic
C02	C03	sing	1.38Å	1.35Å	Aromatic
C03	C04	doub	1.40Å	1.34Å	Aromatic
C03	S17	sing	1.77Å	1.62Å
C04	C05	sing	1.40Å	1.29Å	Aromatic
C04	N15	sing	1.39Å	1.40Å
C05	C06	doub	1.39Å	1.39Å	Aromatic
C06	C07	sing	1.48Å	1.33Å
C07	O08	doub	1.22Å	1.22Å
C07	N09	sing	1.35Å	1.39Å
N09	C14	sing	1.47Å	1.50Å
C11	O12	sing	1.43Å	1.34Å
N15	N16	sing	1.36Å	1.18Å
N16	S17	sing	1.78Å	1.68Å
C10	H102	sing	1.09Å	1.10Å
C10	H101	sing	1.09Å	1.10Å
C13	H131	sing	1.09Å	1.10Å
C13	H132	sing	1.09Å	1.10Å
C01	H011	sing	1.08Å	1.08Å
C02	H021	sing	1.08Å	1.08Å
C05	H051	sing	1.08Å	1.08Å
C11	H111	sing	1.09Å	1.10Å
C11	H112	sing	1.09Å	1.10Å
C14	H142	sing	1.09Å	1.10Å
C14	H141	sing	1.09Å	1.10Å
N16	H1	sing	1.01Å	1.00Å
N15	H2	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N09	C10	C11	115.0°	108.4°
C10	N09	C07	126.1°	121.0°
C10	N09	C14	106.7°	118.1°
N09	C10	H102	108.1°	109.6°
N09	C10	H101	108.1°	109.7°
C10	C11	O12	112.8°	109.3°
C11	C10	H102	108.1°	109.6°
C11	C10	H101	108.0°	109.7°
C10	C11	H111	108.6°	109.5°
C10	C11	H112	108.6°	109.5°
O12	C13	C14	114.9°	109.2°
C13	O12	C11	113.1°	114.2°
O12	C13	H131	108.1°	109.6°
O12	C13	H132	108.1°	109.5°
C13	C14	N09	114.7°	108.4°
C14	C13	H131	108.1°	109.5°
C14	C13	H132	108.1°	109.5°
C13	C14	H142	108.1°	109.6°
C13	C14	H141	108.1°	109.7°
C02	C01	C06	123.5°	119.1°
C01	C02	C03	118.2°	120.0°
C02	C01	H011	118.3°	120.4°
C01	C02	H021	120.9°	120.0°
C01	C06	C05	117.8°	120.6°
C01	C06	C07	124.6°	119.7°
C06	C01	H011	118.3°	120.5°
C02	C03	C04	119.2°	122.1°
C02	C03	S17	131.3°	132.6°
C03	C02	H021	120.9°	120.0°
C04	C03	S17	109.6°	105.3°
C03	C04	C05	121.2°	117.4°
C03	C04	N15	110.9°	115.1°
C03	S17	N16	92.5°	96.1°
C05	C04	N15	127.9°	127.6°
C04	C05	C06	120.1°	120.7°
C04	C05	H051	119.9°	119.6°
C04	N15	N16	114.7°	118.8°
C04	N15	H2	108.2°	120.6°
C05	C06	C07	117.3°	119.7°
C06	C05	H051	119.9°	119.7°
C06	C07	O08	115.3°	120.0°
C06	C07	N09	122.8°	120.0°
O08	C07	N09	121.2°	120.0°
C07	N09	C14	127.1°	121.0°
N09	C14	H142	108.2°	109.7°
N09	C14	H141	108.2°	109.7°
O12	C11	H111	108.6°	109.6°
O12	C11	H112	108.6°	109.5°
N15	N16	S17	112.4°	104.7°
N15	N16	H1	108.8°	111.0°
N16	N15	H2	108.1°	120.6°
S17	N16	H1	108.8°	111.0°
H102	C10	H101	109.5°	109.8°
H131	C13	H132	109.5°	109.5°
H111	C11	H112	109.5°	109.6°
H142	C14	H141	109.4°	109.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N09	C10	C11	H102	120.8°	119.6°
N09	C10	C11	H101	120.8°	119.7°
C10	N09	C14	C13	23.1°	50.5°
C10	N09	C07	C06	177.4°	176.2°
C10	N09	C07	O08	7.5°	3.7°
C10	N09	C07	C14	175.9°	179.9°
N09	C10	C11	O12	68.4°	52.2°
N09	C10	H102	H101	117.5°	120.5°
N09	C10	C11	H111	52.1°	172.2°
N09	C10	C11	H112	171.1°	67.6°
C10	N09	C14	H142	97.7°	69.1°
C10	N09	C14	H141	143.9°	170.3°
C10	C11	O12	C13	36.4°	62.5°
C11	C10	N09	C07	153.5°	129.6°
C11	C10	N09	C14	30.0°	50.5°
C10	C11	O12	H111	120.5°	120.0°
C10	C11	O12	H112	120.5°	119.9°
C11	C10	H102	H101	117.5°	120.6°
C10	C11	H111	H112	118.5°	120.1°
O12	C13	C14	H131	120.8°	120.0°
O12	C13	C14	H132	120.8°	119.9°
O12	C13	C14	N09	53.5°	52.2°
O12	C13	H131	H132	117.6°	120.1°
C13	O12	C11	H111	84.1°	177.5°
C13	O12	C11	H112	156.9°	57.4°
O12	C13	C14	H142	67.2°	67.4°
O12	C13	C14	H141	174.3°	172.0°
C13	C14	N09	C07	153.4°	129.6°
C13	C14	N09	H142	120.8°	119.7°
C13	C14	N09	H141	120.8°	119.7°
C14	C13	O12	C11	18.0°	62.5°
C14	C13	H131	H132	117.5°	120.1°
C13	C14	H142	H141	117.6°	120.6°
C02	C01	C06	H011	180.0°	179.7°
C01	C02	C03	H021	180.0°	180.0°
C01	C02	C03	C04	0.7°	0.0°
C01	C02	C03	S17	178.9°	180.0°
C02	C01	C06	C05	1.5°	0.0°
C02	C01	C06	C07	175.6°	180.0°
C06	C01	C02	C03	1.2°	0.0°
C01	C06	C05	C04	1.4°	0.1°
C01	C06	C05	C07	174.5°	180.0°
C01	C06	C07	O08	146.3°	130.7°
C01	C06	C07	N09	43.2°	49.4°
C06	C01	C02	H021	178.8°	180.0°
C01	C06	C05	H051	178.6°	180.0°
C02	C03	C04	S17	178.6°	180.0°
C02	C03	C04	C05	0.6°	0.0°
C02	C03	C04	N15	179.7°	180.0°
C02	C03	S17	N16	179.6°	180.0°
C03	C02	C01	H011	178.8°	179.7°
C03	C04	C05	N15	179.6°	179.9°
C03	C04	C05	C06	1.0°	0.1°
C03	C04	N15	N16	0.2°	0.0°
C04	C03	S17	N16	1.3°	0.0°
C04	C03	C02	H021	179.3°	180.0°
C03	C04	C05	H051	179.1°	180.0°
C03	C04	N15	H2	121.0°	180.0°
S17	C03	C04	C05	179.2°	180.0°
S17	C03	C04	N15	1.1°	0.0°
C03	S17	N16	N15	1.3°	0.0°
S17	C03	C02	H021	1.1°	0.0°
C03	S17	N16	H1	121.7°	119.8°
C04	C05	C06	H051	180.0°	179.9°
C04	C05	C06	C07	175.9°	180.0°
C05	C04	N15	N16	179.9°	179.9°
C05	C04	N15	H2	59.3°	0.0°
N15	C04	C05	C06	179.4°	180.0°
C04	N15	N16	H2	120.8°	180.0°
C04	N15	N16	S17	0.8°	0.0°
N15	C04	C05	H051	0.6°	0.0°
C04	N15	N16	H1	121.3°	119.9°
C05	C06	C07	O08	39.6°	49.3°
C05	C06	C07	N09	130.9°	130.6°
C05	C06	C01	H011	178.5°	179.7°
C06	C07	O08	N09	170.6°	179.9°
C06	C07	N09	C14	6.7°	3.9°
C07	C06	C01	H011	4.4°	0.3°
C07	C06	C05	H051	4.1°	0.0°
O08	C07	N09	C14	176.6°	176.2°
C07	N09	C10	H102	32.7°	110.8°
C07	N09	C10	H101	85.8°	9.8°
C07	N09	C14	H142	85.8°	110.8°
C07	N09	C14	H141	32.6°	9.8°
C14	N09	C10	H102	150.7°	69.1°
C14	N09	C10	H101	90.8°	170.3°
N09	C14	C13	H131	174.3°	172.2°
N09	C14	C13	H132	67.2°	67.7°
N09	C14	H142	H141	117.6°	120.6°
O12	C11	C10	H102	170.8°	67.4°
O12	C11	C10	H101	52.4°	172.0°
C11	O12	C13	H131	138.8°	177.5°
C11	O12	C13	H132	102.7°	57.4°
O12	C11	H111	H112	118.5°	120.1°
N15	N16	S17	H1	120.5°	119.8°
S17	N16	N15	H2	120.0°	180.0°
H102	C10	C11	H111	68.7°	52.6°
H102	C10	C11	H112	50.3°	172.7°
H101	C10	C11	H111	172.9°	68.0°
H101	C10	C11	H112	68.1°	52.1°
H131	C13	C14	H142	53.5°	52.6°
H131	C13	C14	H141	64.9°	68.0°
H132	C13	C14	H142	172.0°	172.7°
H132	C13	C14	H141	53.5°	52.1°
H011	C01	C02	H021	1.2°	0.3°
H1	N16	N15	H2	0.5°	60.2°

Release date:	2018-10-10
Definition date:	2018-09-10
Last modified:	2018-10-05
Release status:	REL
Processing site:	RCSB
Derived from:	5QE1