K8W

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	C02	sing	1.51Å	1.53Å
C03	C02	doub	1.38Å	1.38Å	Aromatic
C03	C04	sing	1.39Å	1.39Å	Aromatic
C02	C07	sing	1.39Å	1.39Å	Aromatic
C04	C05	doub	1.39Å	1.38Å	Aromatic
C07	N08	sing	1.39Å	1.45Å
C07	N06	doub	1.32Å	1.33Å	Aromatic
N19	C18	sing	1.38Å	1.25Å
C05	N06	sing	1.33Å	1.32Å	Aromatic
C05	C09	sing	1.48Å	1.39Å
S15	C16	sing	1.76Å	1.72Å	Aromatic
S15	C14	sing	1.76Å	1.75Å	Aromatic
C18	C16	sing	1.47Å	1.52Å
C18	N20	doub	1.30Å	1.43Å
C09	C14	doub	1.41Å	1.40Å	Aromatic
C09	C10	sing	1.39Å	1.41Å	Aromatic
C16	C17	doub	1.33Å	1.39Å	Aromatic
C14	C13	sing	1.40Å	1.39Å	Aromatic
C10	C11	doub	1.39Å	1.39Å	Aromatic
C17	C13	sing	1.41Å	1.42Å	Aromatic
C13	C12	doub	1.42Å	1.43Å	Aromatic
C11	C12	sing	1.37Å	1.39Å	Aromatic
C10	H101	sing	1.08Å	1.08Å
C17	H171	sing	1.08Å	1.08Å
C01	H011	sing	1.09Å	1.10Å
C01	H012	sing	1.09Å	1.10Å
C01	H013	sing	1.09Å	1.10Å
C03	H031	sing	1.08Å	1.08Å
C04	H041	sing	1.08Å	1.08Å
C11	H111	sing	1.08Å	1.08Å
C12	H121	sing	1.08Å	1.08Å
N08	H082	sing	0.97Å	1.00Å
N08	H081	sing	0.97Å	1.00Å
N19	H191	sing	0.97Å	1.00Å
N19	H1	sing	0.97Å	1.00Å
N20	H201	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	C02	C03	118.7°	120.4°
C01	C02	C07	123.4°	120.3°
C02	C01	H011	109.5°	109.5°
C02	C01	H012	109.5°	109.4°
C02	C01	H013	109.5°	109.5°
C02	C03	C04	119.2°	118.6°
C03	C02	C07	117.9°	119.3°
C02	C03	H031	120.4°	120.6°
C03	C04	C05	120.2°	119.3°
C04	C03	H031	120.4°	120.8°
C03	C04	H041	119.9°	120.3°
C02	C07	N08	122.0°	119.7°
C02	C07	N06	120.7°	120.7°
C04	C05	N06	119.2°	120.6°
C04	C05	C09	122.6°	119.7°
C05	C04	H041	119.9°	120.4°
N08	C07	N06	117.3°	119.6°
C07	N08	H082	109.5°	120.0°
C07	N08	H081	109.5°	120.1°
C07	N06	C05	122.8°	121.6°
N19	C18	C16	120.8°	120.0°
N19	C18	N20	119.9°	120.0°
C18	N19	H191	120.0°	120.0°
C18	N19	H1	120.0°	120.0°
N06	C05	C09	118.3°	119.7°
C05	C09	C14	122.3°	120.0°
C05	C09	C10	118.3°	119.9°
C16	S15	C14	96.5°	91.6°
S15	C16	C18	122.6°	124.7°
S15	C16	C17	107.4°	110.7°
S15	C14	C09	133.7°	130.6°
S15	C14	C13	106.4°	109.5°
C16	C18	N20	119.4°	120.0°
C18	C16	C17	130.0°	124.7°
C18	N20	H201	112.0°	120.0°
C14	C09	C10	119.4°	120.1°
C09	C14	C13	119.9°	119.9°
C09	C10	C11	121.3°	120.0°
C09	C10	H101	119.4°	120.1°
C16	C17	C13	114.7°	115.6°
C16	C17	H171	122.6°	122.2°
C14	C13	C17	115.0°	112.6°
C14	C13	C12	120.2°	118.6°
C10	C11	C12	119.4°	120.7°
C11	C10	H101	119.3°	119.9°
C10	C11	H111	120.3°	119.6°
C17	C13	C12	124.8°	128.8°
C13	C17	H171	122.7°	122.2°
C13	C12	C11	119.8°	120.7°
C13	C12	H121	120.1°	119.6°
C12	C11	H111	120.3°	119.7°
C11	C12	H121	120.1°	119.7°
H011	C01	H012	109.5°	109.5°
H011	C01	H013	109.5°	109.5°
H012	C01	H013	109.4°	109.4°
H082	N08	H081	109.5°	119.9°
H191	N19	H1	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C02	C03	C07	178.6°	179.8°
C01	C02	C03	C04	179.0°	180.0°
C01	C02	C07	N08	1.2°	0.1°
C01	C02	C07	N06	178.0°	179.7°
C02	C01	H011	H012	120.0°	120.0°
C02	C01	H011	H013	120.0°	120.0°
C02	C01	H012	H013	120.0°	119.9°
C01	C02	C03	H031	1.0°	0.0°
C02	C03	C04	H031	180.0°	180.0°
C02	C03	C04	C05	0.8°	0.0°
C03	C02	C07	N08	179.7°	179.7°
C03	C02	C07	N06	0.5°	0.5°
C03	C02	C01	H011	90.7°	89.7°
C03	C02	C01	H012	149.3°	30.3°
C03	C02	C01	H013	29.3°	150.2°
C02	C03	C04	H041	179.2°	180.0°
C04	C03	C02	C07	0.5°	0.2°
C03	C04	C05	H041	180.0°	180.0°
C03	C04	C05	N06	0.3°	0.0°
C03	C04	C05	C09	178.7°	180.0°
C02	C07	N08	N06	179.2°	179.8°
C02	C07	N06	C05	1.1°	0.5°
C07	C02	C01	H011	90.8°	90.1°
C07	C02	C01	H012	29.2°	149.9°
C07	C02	C01	H013	149.2°	30.0°
C07	C02	C03	H031	179.5°	179.8°
C02	C07	N08	H082	179.2°	0.1°
C02	C07	N08	H081	59.2°	180.0°
C04	C05	N06	C07	0.7°	0.3°
C04	C05	N06	C09	178.5°	180.0°
C04	C05	C09	C14	28.7°	180.0°
C04	C05	C09	C10	150.2°	0.0°
C05	C04	C03	H031	179.2°	180.0°
N08	C07	N06	C05	179.7°	179.7°
C07	N08	H082	H081	120.0°	179.9°
C07	N06	C05	C09	177.8°	179.7°
N06	C07	N08	H082	0.0°	179.7°
N06	C07	N08	H081	120.0°	0.2°
N19	C18	C16	S15	5.8°	1.0°
N19	C18	C16	N20	179.7°	180.0°
N19	C18	C16	C17	173.9°	180.0°
C18	N19	H191	H1	180.0°	180.0°
N19	C18	N20	H201	179.7°	180.0°
N06	C05	C09	C14	152.8°	0.1°
N06	C05	C09	C10	28.3°	180.0°
N06	C05	C04	H041	179.8°	179.9°
C05	C09	C14	S15	1.3°	0.1°
C05	C09	C14	C10	178.9°	179.9°
C05	C09	C14	C13	178.8°	179.4°
C05	C09	C10	C11	178.6°	180.0°
C05	C09	C10	H101	1.4°	0.3°
C09	C05	C04	H041	1.3°	0.0°
S15	C16	C18	C17	179.7°	179.0°
S15	C16	C18	N20	173.9°	178.9°
C16	S15	C14	C09	179.8°	180.0°
C16	S15	C14	C13	0.0°	0.5°
S15	C16	C17	C13	0.3°	0.9°
S15	C16	C17	H171	179.7°	179.9°
C14	S15	C16	C18	179.9°	179.9°
S15	C14	C09	C13	179.9°	179.4°
S15	C14	C09	C10	179.8°	180.0°
C14	S15	C16	C17	0.2°	0.8°
S15	C14	C13	C17	0.3°	0.1°
S15	C14	C13	C12	179.8°	179.6°
C18	C16	C17	C13	179.9°	180.0°
C18	C16	C17	H171	0.1°	1.1°
C16	C18	N19	H191	179.7°	0.0°
C16	C18	N19	H1	0.3°	180.0°
C16	C18	N20	H201	0.0°	0.0°
N20	C18	C16	C17	6.4°	0.0°
N20	C18	N19	H191	0.0°	180.0°
N20	C18	N19	H1	180.0°	0.0°
C14	C09	C10	C11	0.3°	0.0°
C09	C14	C13	C17	179.7°	179.6°
C09	C14	C13	C12	0.3°	0.9°
C14	C09	C10	H101	179.7°	179.6°
C10	C09	C14	C13	0.1°	0.6°
C09	C10	C11	H101	180.0°	179.7°
C09	C10	C11	C12	0.3°	0.2°
C09	C10	C11	H111	179.7°	179.7°
C16	C17	C13	C14	0.4°	0.5°
C16	C17	C13	H171	180.0°	178.9°
C16	C17	C13	C12	179.7°	178.9°
C14	C13	C17	C12	179.9°	179.4°
C14	C13	C12	C11	0.3°	0.6°
C14	C13	C17	H171	179.6°	179.5°
C14	C13	C12	H121	179.6°	180.0°
C10	C11	C12	C13	0.1°	0.0°
C10	C11	C12	H111	180.0°	180.0°
C10	C11	C12	H121	179.9°	179.4°
C17	C13	C12	C11	179.6°	180.0°
C17	C13	C12	H121	0.4°	0.6°
C13	C12	C11	H121	180.0°	179.4°
C12	C13	C17	H171	0.3°	0.0°
C13	C12	C11	H111	180.0°	180.0°
C12	C11	C10	H101	179.8°	179.9°
H101	C10	C11	H111	0.3°	0.0°
H011	C01	H012	H013	120.0°	120.1°
H031	C03	C04	H041	0.8°	0.0°
H111	C11	C12	H121	0.1°	0.6°

Release date:	2020-06-17
Definition date:	2019-05-06
Last modified:	2020-06-12
Release status:	REL
Processing site:	PDBE
Derived from:	6RM5