W8D

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	C12	sing	1.55Å	1.54Å
C13	C14	sing	1.55Å	1.50Å
C12	O11	sing	1.44Å	1.32Å
C14	C10	sing	1.54Å	1.38Å
O11	C10	sing	1.44Å	1.57Å
C10	C09	sing	1.53Å	1.51Å
C09	N08	sing	1.46Å	1.52Å
C15	N08	sing	1.34Å	1.32Å	Aromatic
C15	N16	doub	1.31Å	1.35Å	Aromatic
N08	C07	sing	1.38Å	1.35Å	Aromatic
N16	C02	sing	1.34Å	1.27Å	Aromatic
C07	N06	doub	1.32Å	1.34Å	Aromatic
C07	C03	sing	1.41Å	1.29Å	Aromatic
N06	C05	sing	1.33Å	1.32Å	Aromatic
C02	C03	doub	1.40Å	1.44Å	Aromatic
C02	N01	sing	1.37Å	1.43Å
C03	N04	sing	1.34Å	1.38Å	Aromatic
C05	N04	doub	1.32Å	1.32Å	Aromatic
C10	H101	sing	1.09Å	1.10Å
C13	H132	sing	1.09Å	1.10Å
C13	H131	sing	1.09Å	1.10Å
C15	H151	sing	1.08Å	1.08Å
C05	H051	sing	1.08Å	1.08Å
C09	H092	sing	1.09Å	1.10Å
C09	H091	sing	1.09Å	1.10Å
C12	H121	sing	1.09Å	1.10Å
C12	H122	sing	1.09Å	1.10Å
C14	H141	sing	1.09Å	1.10Å
C14	H142	sing	1.09Å	1.10Å
N01	H011	sing	0.97Å	1.00Å
N01	H012	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	C13	C14	103.3°	102.0°
C13	C12	O11	106.4°	103.5°
C12	C13	H132	111.0°	110.9°
C12	C13	H131	111.0°	110.9°
C13	C12	H121	110.2°	110.6°
C13	C12	H122	110.2°	110.6°
C13	C14	C10	105.5°	104.2°
C14	C13	H132	111.0°	110.9°
C14	C13	H131	111.0°	111.0°
C13	C14	H141	110.5°	110.5°
C13	C14	H142	110.4°	110.5°
C12	O11	C10	109.2°	107.0°
O11	C12	H121	110.2°	110.5°
O11	C12	H122	110.2°	110.7°
C14	C10	O11	101.8°	107.5°
C14	C10	C09	118.5°	109.9°
C14	C10	H101	111.4°	109.9°
C10	C14	H141	110.4°	110.5°
C10	C14	H142	110.4°	110.5°
O11	C10	C09	106.3°	109.9°
O11	C10	H101	108.7°	109.8°
C10	C09	N08	111.4°	109.5°
C09	C10	H101	109.4°	109.9°
C10	C09	H092	109.0°	109.5°
C10	C09	H091	109.0°	109.5°
C09	N08	C15	119.7°	120.2°
C09	N08	C07	122.7°	120.1°
N08	C09	H092	109.0°	109.5°
N08	C09	H091	109.0°	109.5°
N08	C15	N16	123.7°	122.4°
C15	N08	C07	117.6°	119.8°
N08	C15	H151	118.1°	118.8°
C15	N16	C02	119.0°	122.0°
N16	C15	H151	118.1°	118.8°
N08	C07	N06	130.2°	135.1°
N08	C07	C03	121.3°	118.4°
N16	C02	C03	119.5°	119.1°
N16	C02	N01	120.9°	120.4°
N06	C07	C03	108.6°	106.5°
C07	N06	C05	107.0°	108.7°
C07	C03	C02	118.8°	118.4°
C07	C03	N04	109.2°	106.4°
N06	C05	N04	111.0°	110.2°
N06	C05	H051	124.5°	124.9°
C03	C02	N01	119.5°	120.4°
C02	C03	N04	132.0°	135.2°
C02	N01	H011	109.5°	120.0°
C02	N01	H012	109.5°	120.0°
C03	N04	C05	104.3°	108.2°
N04	C05	H051	124.5°	124.9°
H132	C13	H131	109.5°	110.9°
H092	C09	H091	109.5°	109.4°
H121	C12	H122	109.5°	110.6°
H141	C14	H142	109.5°	110.6°
H011	N01	H012	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	C13	C14	H132	119.0°	118.1°
C12	C13	C14	H131	119.0°	118.2°
C13	C12	O11	H121	119.5°	118.5°
C13	C12	O11	H122	119.5°	118.5°
C12	C13	C14	C10	31.6°	20.9°
C13	C12	O11	C10	10.8°	39.9°
C12	C13	H132	H131	122.9°	123.7°
C13	C12	H121	H122	121.4°	122.9°
C12	C13	C14	H141	87.8°	97.8°
C12	C13	C14	H142	150.9°	139.5°
C14	C13	C12	O11	11.2°	37.0°
C13	C14	C10	H141	119.4°	118.6°
C13	C14	C10	H142	119.4°	118.6°
C13	C14	C10	O11	36.7°	1.9°
C13	C14	C10	C09	152.8°	121.5°
C13	C14	C10	H101	78.9°	117.5°
C14	C13	H132	H131	122.9°	123.7°
C14	C13	C12	H121	130.7°	81.5°
C14	C13	C12	H122	108.3°	155.6°
C13	C14	H141	H142	121.9°	122.6°
C12	O11	C10	C14	31.0°	26.4°
C12	O11	C10	C09	155.7°	145.9°
C12	O11	C10	H101	86.6°	93.1°
O11	C12	C13	H132	130.2°	81.2°
O11	C12	C13	H131	107.8°	155.2°
O11	C12	H121	H122	121.4°	123.0°
C14	C10	O11	C09	124.7°	119.5°
C14	C10	O11	H101	117.6°	119.5°
C14	C10	C09	H101	129.1°	121.0°
C14	C10	C09	N08	172.8°	179.7°
C10	C14	C13	H132	150.6°	97.3°
C10	C14	C13	H131	87.4°	139.1°
C14	C10	C09	H092	66.9°	59.7°
C14	C10	C09	H091	52.5°	60.2°
C10	C14	H141	H142	121.8°	122.7°
O11	C10	C09	H101	117.2°	120.9°
O11	C10	C09	N08	73.6°	61.6°
O11	C10	C09	H092	46.7°	58.4°
O11	C10	C09	H091	166.2°	178.3°
C10	O11	C12	H121	108.7°	78.6°
C10	O11	C12	H122	130.3°	158.4°
O11	C10	C14	H141	82.7°	120.5°
O11	C10	C14	H142	156.1°	116.7°
C10	C09	N08	H092	120.3°	120.0°
C10	C09	N08	H091	120.3°	120.0°
C10	C09	N08	C15	94.6°	90.0°
C10	C09	N08	C07	85.2°	90.0°
C10	C09	H092	H091	119.1°	120.0°
C09	C10	C14	H141	33.4°	119.9°
C09	C10	C14	H142	87.8°	2.8°
C09	N08	C15	C07	179.8°	180.0°
C09	N08	C15	N16	179.3°	180.0°
C09	N08	C07	N06	0.5°	0.0°
C09	N08	C07	C03	178.9°	180.0°
N08	C09	C10	H101	43.6°	59.3°
C09	N08	C15	H151	0.7°	0.3°
N08	C09	H092	H091	119.1°	120.0°
N08	C15	N16	H151	180.0°	179.7°
N08	C15	N16	C02	0.7°	0.0°
C15	N08	C07	N06	179.3°	180.0°
C15	N08	C07	C03	1.0°	0.1°
C15	N08	C09	H092	25.6°	30.0°
C15	N08	C09	H091	145.1°	150.0°
N16	C15	N08	C07	0.8°	0.0°
C15	N16	C02	C03	1.0°	0.0°
C15	N16	C02	N01	178.7°	180.0°
N08	C07	N06	C03	178.5°	179.9°
N08	C07	N06	C05	179.6°	180.0°
N08	C07	C03	C02	2.6°	0.1°
N08	C07	C03	N04	178.4°	180.0°
C07	N08	C15	H151	179.1°	179.7°
C07	N08	C09	H092	154.5°	149.9°
C07	N08	C09	H091	35.1°	30.0°
N16	C02	C03	C07	2.7°	0.0°
N16	C02	C03	N01	177.8°	180.0°
N16	C02	C03	N04	178.7°	180.0°
C02	N16	C15	H151	179.2°	179.7°
N16	C02	N01	H011	0.0°	180.0°
N16	C02	N01	H012	120.0°	0.0°
N06	C07	C03	C02	178.7°	180.0°
N06	C07	C03	N04	0.3°	0.0°
C07	N06	C05	N04	2.1°	0.1°
C07	N06	C05	H051	177.9°	180.0°
C03	C07	N06	C05	1.1°	0.1°
C07	C03	C02	N04	178.7°	179.9°
C07	C03	C02	N01	179.6°	180.0°
C07	C03	N04	C05	1.5°	0.0°
N06	C05	N04	C03	2.2°	0.0°
N06	C05	N04	H051	180.0°	179.9°
C02	C03	N04	C05	177.3°	179.9°
C03	C02	N01	H011	177.7°	0.0°
C03	C02	N01	H012	62.3°	179.9°
N01	C02	C03	N04	0.9°	0.1°
C02	N01	H011	H012	120.1°	180.0°
C03	N04	C05	H051	177.8°	180.0°
H101	C10	C09	H092	163.9°	179.3°
H101	C10	C09	H091	76.6°	60.8°
H101	C10	C14	H141	161.7°	1.1°
H101	C10	C14	H142	40.5°	123.8°
H132	C13	C12	H121	110.3°	160.4°
H132	C13	C12	H122	10.7°	37.5°
H132	C13	C14	H141	31.2°	144.1°
H132	C13	C14	H142	90.1°	21.4°
H131	C13	C12	H121	11.7°	36.8°
H131	C13	C12	H122	132.7°	86.2°
H131	C13	C14	H141	153.2°	20.4°
H131	C13	C14	H142	31.9°	102.3°

Release date:	2020-12-16
Definition date:	2020-09-29
Last modified:	2020-12-11
Release status:	REL
Processing site:	RCSB
Derived from:	5RVF