WW1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C15	C16	doub	1.38Å	1.36Å	Aromatic
C15	C14	sing	1.38Å	1.38Å	Aromatic
C16	C17	sing	1.38Å	1.36Å	Aromatic
C14	C13	doub	1.38Å	1.38Å	Aromatic
C17	C18	doub	1.38Å	1.38Å	Aromatic
C13	C18	sing	1.38Å	1.39Å	Aromatic
C13	C02	sing	1.51Å	1.51Å
C02	C01	sing	1.53Å	1.54Å
C02	C03	sing	1.53Å	1.51Å
C03	S04	sing	1.81Å	1.79Å
S04	C05	sing	1.76Å	1.78Å
N11	C10	doub	1.30Å	1.32Å	Aromatic
N11	N12	sing	1.40Å	1.36Å	Aromatic
C10	N09	sing	1.37Å	1.34Å	Aromatic
N12	C05	sing	1.37Å	1.35Å	Aromatic
N12	C08	sing	1.37Å	1.30Å	Aromatic
C05	N06	doub	1.31Å	1.28Å	Aromatic
N06	N07	sing	1.29Å	1.32Å	Aromatic
C08	N09	sing	1.38Å	1.36Å	Aromatic
C08	N07	doub	1.31Å	1.34Å	Aromatic
C10	H101	sing	1.08Å	1.08Å
C15	H151	sing	1.08Å	1.08Å
C17	H171	sing	1.08Å	1.08Å
C01	H011	sing	1.09Å	1.10Å
C01	H013	sing	1.09Å	1.10Å
C01	H012	sing	1.09Å	1.10Å
C02	H021	sing	1.09Å	1.10Å
C03	H031	sing	1.09Å	1.10Å
C03	H032	sing	1.09Å	1.10Å
C14	H141	sing	1.08Å	1.08Å
C16	H161	sing	1.08Å	1.08Å
C18	H181	sing	1.08Å	1.08Å
N09	H091	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C16	C15	C14	120.8°	120.0°
C15	C16	C17	118.9°	120.0°
C16	C15	H151	119.6°	120.0°
C15	C16	H161	120.6°	120.0°
C15	C14	C13	120.5°	120.0°
C14	C15	H151	119.6°	120.0°
C15	C14	H141	119.7°	120.0°
C16	C17	C18	122.3°	120.0°
C16	C17	H171	118.8°	120.0°
C17	C16	H161	120.6°	120.0°
C14	C13	C18	118.9°	120.1°
C14	C13	C02	121.5°	120.0°
C13	C14	H141	119.7°	120.0°
C17	C18	C13	118.6°	119.9°
C18	C17	H171	118.8°	119.9°
C17	C18	H181	120.7°	120.0°
C18	C13	C02	119.6°	119.9°
C13	C18	H181	120.7°	120.1°
C13	C02	C01	115.1°	109.5°
C13	C02	C03	107.1°	109.4°
C13	C02	H021	107.2°	109.5°
C01	C02	C03	112.9°	109.5°
C02	C01	H011	109.5°	109.4°
C02	C01	H013	109.5°	109.4°
C02	C01	H012	109.5°	109.5°
C01	C02	H021	106.9°	109.5°
C02	C03	S04	110.9°	109.4°
C03	C02	H021	107.2°	109.5°
C02	C03	H031	109.1°	109.5°
C02	C03	H032	109.1°	109.5°
C03	S04	C05	102.8°	103.0°
S04	C03	H031	109.1°	109.5°
S04	C03	H032	109.1°	109.5°
S04	C05	N12	118.8°	126.4°
S04	C05	N06	131.3°	126.4°
C10	N11	N12	104.3°	108.8°
N11	C10	N09	110.6°	109.5°
N11	C10	H101	124.7°	125.2°
N11	N12	C05	143.0°	146.8°
N11	N12	C08	111.8°	107.3°
C10	N09	C08	107.1°	107.9°
N09	C10	H101	124.7°	125.3°
C10	N09	H091	126.4°	126.0°
C05	N12	C08	105.2°	105.9°
N12	C05	N06	109.9°	107.1°
N12	C08	N09	106.1°	106.5°
N12	C08	N07	110.0°	107.1°
C05	N06	N07	108.8°	110.0°
N06	N07	C08	106.1°	110.0°
N09	C08	N07	143.8°	146.4°
C08	N09	H091	126.4°	126.0°
H011	C01	H013	109.5°	109.5°
H011	C01	H012	109.4°	109.6°
H013	C01	H012	109.4°	109.5°
H031	C03	H032	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C16	C15	C14	H151	180.0°	179.8°
C15	C16	C17	H161	180.0°	179.7°
C16	C15	C14	C13	1.8°	0.0°
C15	C16	C17	C18	0.6°	0.5°
C15	C16	C17	H171	179.4°	180.0°
C16	C15	C14	H141	178.2°	180.0°
C14	C15	C16	C17	0.3°	0.2°
C15	C14	C13	H141	180.0°	180.0°
C15	C14	C13	C18	3.5°	0.0°
C15	C14	C13	C02	179.1°	179.7°
C14	C15	C16	H161	179.7°	180.0°
C16	C17	C18	H171	180.0°	179.5°
C16	C17	C18	C13	2.4°	0.5°
C17	C16	C15	H151	179.7°	180.0°
C16	C17	C18	H181	177.6°	179.4°
C14	C13	C18	C17	3.7°	0.3°
C14	C13	C18	C02	177.5°	179.7°
C14	C13	C02	C01	124.8°	59.7°
C14	C13	C02	C03	108.8°	60.3°
C13	C14	C15	H151	178.2°	179.7°
C14	C13	C02	H021	6.0°	179.7°
C14	C13	C18	H181	176.3°	179.7°
C17	C18	C13	H181	180.0°	179.9°
C17	C18	C13	C02	178.8°	180.0°
C18	C17	C16	H161	179.3°	179.7°
C18	C13	C02	C01	52.7°	120.0°
C18	C13	C02	C03	73.8°	120.0°
C13	C18	C17	H171	177.7°	180.0°
C18	C13	C02	H021	171.4°	0.0°
C18	C13	C14	H141	176.5°	180.0°
C13	C02	C01	C03	123.4°	120.0°
C13	C02	C01	H021	118.9°	120.0°
C13	C02	C03	H021	114.7°	120.0°
C13	C02	C03	S04	169.5°	175.0°
C13	C02	C01	H011	180.0°	180.0°
C13	C02	C01	H013	60.0°	60.1°
C13	C02	C01	H012	60.0°	59.9°
C13	C02	C03	H031	70.3°	65.0°
C13	C02	C03	H032	49.2°	55.0°
C02	C13	C14	H141	1.0°	0.3°
C02	C13	C18	H181	1.2°	0.0°
C01	C02	C03	H021	117.5°	120.0°
C01	C02	C03	S04	62.8°	65.0°
C02	C01	H011	H013	120.0°	119.9°
C02	C01	H011	H012	120.0°	120.0°
C02	C01	H013	H012	120.0°	119.9°
C01	C02	C03	H031	57.4°	55.0°
C01	C02	C03	H032	177.0°	175.0°
C02	C03	S04	H031	120.2°	120.0°
C02	C03	S04	H032	120.2°	120.0°
C02	C03	S04	C05	170.3°	180.0°
C03	C02	C01	H011	56.6°	60.0°
C03	C02	C01	H013	176.6°	180.0°
C03	C02	C01	H012	63.4°	60.1°
C02	C03	H031	H032	119.3°	120.0°
C03	S04	C05	N12	110.6°	180.0°
C03	S04	C05	N06	67.4°	0.1°
S04	C03	C02	H021	54.7°	55.0°
S04	C03	H031	H032	119.4°	120.0°
S04	C05	N12	N11	1.7°	0.7°
S04	C05	N12	N06	178.3°	180.0°
S04	C05	N12	C08	178.4°	179.9°
S04	C05	N06	N07	178.8°	179.9°
C05	S04	C03	H031	69.5°	60.0°
C05	S04	C03	H032	50.0°	60.0°
N11	C10	N09	H101	180.0°	179.7°
C10	N11	N12	C05	179.0°	179.6°
C10	N11	N12	C08	1.2°	0.2°
N11	C10	N09	C08	3.2°	0.3°
N11	C10	N09	H091	176.8°	179.7°
N12	N11	C10	N09	2.6°	0.0°
N11	N12	C05	C08	179.9°	179.4°
N11	N12	C05	N06	179.9°	179.3°
N11	N12	C08	N09	0.7°	0.4°
N11	N12	C08	N07	179.4°	179.6°
N12	N11	C10	H101	177.4°	179.8°
C10	N09	C08	N12	2.3°	0.4°
C10	N09	C08	H091	180.0°	180.0°
C10	N09	C08	N07	179.9°	179.6°
N12	C05	N06	N07	0.7°	0.1°
C05	N12	C08	N09	179.2°	180.0°
C05	N12	C08	N07	0.5°	0.0°
C08	N12	C05	N06	0.1°	0.0°
N12	C08	N07	N06	1.0°	0.0°
N12	C08	N09	N07	177.8°	180.0°
N12	C08	N09	H091	177.7°	179.6°
C05	N06	N07	C08	1.0°	0.0°
N06	N07	C08	N09	178.7°	180.0°
C08	N09	C10	H101	176.8°	180.0°
N07	C08	N09	H091	0.2°	0.4°
H101	C10	N09	H091	3.2°	0.0°
H151	C15	C14	H141	1.8°	0.3°
H151	C15	C16	H161	0.4°	0.2°
H171	C17	C16	H161	0.6°	0.3°
H171	C17	C18	H181	2.3°	0.0°
H011	C01	H013	H012	120.0°	120.1°
H011	C01	C02	H021	61.1°	60.0°
H013	C01	C02	H021	59.0°	60.0°
H012	C01	C02	H021	178.9°	179.9°
H021	C02	C03	H031	174.9°	175.0°
H021	C02	C03	H032	65.5°	65.0°

Release date:	2022-07-13
Definition date:	2020-11-17
Last modified:	2022-07-08
Release status:	REL
Processing site:	RCSB
Derived from:	5S6D