TWP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O20	C03	doub	1.22Å	1.18Å
C19	C18	doub	1.38Å	1.41Å	Aromatic
C19	C04	sing	1.40Å	1.43Å	Aromatic
C18	C07	sing	1.38Å	1.41Å	Aromatic
C03	C04	sing	1.48Å	1.62Å
C03	N02	sing	1.35Å	1.49Å
C04	C05	doub	1.40Å	1.40Å	Aromatic
O01	N02	sing	1.42Å	1.36Å
C07	C08	sing	1.51Å	1.64Å
C07	C06	doub	1.38Å	1.42Å	Aromatic
C08	N09	sing	1.47Å	1.44Å
C05	C06	sing	1.38Å	1.42Å	Aromatic
N09	C10	sing	1.37Å	1.42Å	Aromatic
N09	C13	sing	1.38Å	1.47Å	Aromatic
C10	C11	doub	1.34Å	1.35Å	Aromatic
C13	C14	doub	1.39Å	1.39Å	Aromatic
C13	C12	sing	1.41Å	1.48Å	Aromatic
C11	C12	sing	1.46Å	1.45Å	Aromatic
C14	C15	sing	1.38Å	1.37Å	Aromatic
C12	C17	doub	1.40Å	1.41Å	Aromatic
C15	C16	doub	1.39Å	1.43Å	Aromatic
C17	C16	sing	1.37Å	1.36Å	Aromatic
C10	H1	sing	1.08Å	1.08Å
C15	H2	sing	1.08Å	1.08Å
C17	H3	sing	1.08Å	1.08Å
C05	H4	sing	1.08Å	1.08Å
C06	H5	sing	1.08Å	1.08Å
C08	H6	sing	1.09Å	1.10Å
C08	H7	sing	1.09Å	1.10Å
C11	H8	sing	1.08Å	1.08Å
C14	H9	sing	1.08Å	1.08Å
C16	H10	sing	1.08Å	1.08Å
C18	H11	sing	1.08Å	1.08Å
C19	H12	sing	1.08Å	1.08Å
N02	H13	sing	0.97Å	1.00Å
O01	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O20	C03	C04	122.8°	120.0°
O20	C03	N02	118.9°	120.0°
C18	C19	C04	122.7°	119.9°
C19	C18	C07	123.6°	120.1°
C19	C18	H11	118.2°	119.9°
C18	C19	H12	118.6°	120.1°
C19	C04	C03	120.5°	120.2°
C19	C04	C05	113.6°	119.7°
C04	C19	H12	118.6°	120.0°
C18	C07	C08	122.5°	119.9°
C18	C07	C06	113.4°	120.3°
C07	C18	H11	118.2°	119.9°
C04	C03	N02	117.9°	120.0°
C03	C04	C05	125.8°	120.1°
C03	N02	O01	128.5°	120.0°
C03	N02	H13	115.8°	120.1°
C04	C05	C06	123.7°	119.9°
C04	C05	H4	118.2°	120.1°
O01	N02	H13	115.7°	119.9°
N02	O01	H14	109.5°	114.0°
C08	C07	C06	124.0°	119.9°
C07	C08	N09	121.5°	109.5°
C07	C08	H6	106.4°	109.5°
C07	C08	H7	106.4°	109.5°
C07	C06	C05	122.9°	120.1°
C07	C06	H5	118.6°	119.9°
C08	N09	C10	126.2°	125.1°
C08	N09	C13	128.3°	125.0°
N09	C08	H6	106.4°	109.5°
N09	C08	H7	106.4°	109.5°
C06	C05	H4	118.2°	120.0°
C05	C06	H5	118.5°	119.9°
C10	N09	C13	105.5°	109.9°
N09	C10	C11	111.2°	109.9°
N09	C10	H1	124.4°	125.0°
N09	C13	C14	133.1°	133.5°
N09	C13	C12	108.0°	107.2°
C10	C11	C12	111.4°	107.1°
C11	C10	H1	124.4°	125.1°
C10	C11	H8	124.3°	126.5°
C14	C13	C12	118.9°	119.3°
C13	C14	C15	121.7°	119.8°
C13	C14	H9	119.1°	120.1°
C13	C12	C11	104.0°	106.0°
C13	C12	C17	116.3°	120.0°
C11	C12	C17	139.7°	134.1°
C12	C11	H8	124.3°	126.5°
C14	C15	C16	120.7°	120.7°
C14	C15	H2	119.6°	119.6°
C15	C14	H9	119.2°	120.2°
C12	C17	C16	124.2°	119.8°
C12	C17	H3	117.9°	120.1°
C15	C16	C17	118.3°	120.5°
C16	C15	H2	119.7°	119.6°
C15	C16	H10	120.9°	119.8°
C16	C17	H3	117.9°	120.1°
C17	C16	H10	120.8°	119.7°
H6	C08	H7	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O20	C03	C04	C19	23.7°	179.7°
O20	C03	C04	N02	173.1°	180.0°
O20	C03	C04	C05	161.0°	0.0°
O20	C03	N02	O01	4.2°	0.0°
O20	C03	N02	H13	175.8°	180.0°
C18	C19	C04	H12	180.0°	179.4°
C19	C18	C07	H11	180.0°	179.7°
C18	C19	C04	C03	177.1°	179.7°
C18	C19	C04	C05	1.3°	0.6°
C19	C18	C07	C08	178.5°	179.7°
C19	C18	C07	C06	0.9°	0.3°
C04	C19	C18	C07	0.3°	0.6°
C19	C04	C03	C05	175.3°	179.7°
C19	C04	C03	N02	149.4°	0.3°
C19	C04	C05	C06	1.0°	0.3°
C19	C04	C05	H4	178.9°	179.7°
C04	C19	C18	H11	179.7°	179.7°
C18	C07	C08	C06	177.4°	180.0°
C18	C07	C08	N09	110.2°	90.0°
C18	C07	C06	C05	1.1°	0.0°
C18	C07	C06	H5	178.9°	180.0°
C18	C07	C08	H6	128.1°	30.0°
C18	C07	C08	H7	11.5°	150.0°
C07	C18	C19	H12	179.7°	180.0°
C04	C03	N02	O01	177.6°	180.0°
C03	C04	C05	C06	176.6°	179.9°
C03	C04	C05	H4	3.3°	0.1°
C03	C04	C19	H12	2.9°	0.3°
C04	C03	N02	H13	2.4°	0.1°
N02	C03	C04	C05	25.9°	180.0°
C03	N02	O01	H13	180.0°	180.0°
C03	N02	O01	H14	1.9°	179.9°
C04	C05	C06	C07	0.1°	0.0°
C04	C05	C06	H4	180.0°	180.0°
C04	C05	C06	H5	179.9°	180.0°
C05	C04	C19	H12	178.7°	180.0°
C07	C08	N09	H6	121.7°	120.0°
C07	C08	N09	H7	121.7°	120.0°
C08	C07	C06	C05	178.7°	179.9°
C07	C08	N09	C10	35.5°	95.0°
C07	C08	N09	C13	146.3°	85.5°
C08	C07	C06	H5	1.3°	0.0°
C07	C08	H6	H7	114.6°	120.0°
C08	C07	C18	H11	1.5°	0.0°
C06	C07	C08	N09	72.4°	90.0°
C07	C06	C05	H5	180.0°	179.9°
C07	C06	C05	H4	179.9°	180.0°
C06	C07	C08	H6	49.3°	150.0°
C06	C07	C08	H7	165.9°	30.0°
C06	C07	C18	H11	179.1°	180.0°
C08	N09	C10	C13	178.6°	179.6°
C08	N09	C10	C11	179.2°	180.0°
C08	N09	C13	C14	1.8°	0.3°
C08	N09	C13	C12	179.3°	180.0°
C08	N09	C10	H1	0.8°	0.2°
N09	C08	H6	H7	114.5°	120.0°
N09	C10	C11	H1	180.0°	179.7°
C10	N09	C13	C14	179.7°	179.9°
C10	N09	C13	C12	0.8°	0.4°
N09	C10	C11	C12	0.2°	0.3°
C10	N09	C08	H6	157.2°	145.1°
C10	N09	C08	H7	86.2°	25.0°
N09	C10	C11	H8	179.8°	179.8°
C13	N09	C10	C11	0.6°	0.4°
N09	C13	C14	C12	178.8°	179.6°
N09	C13	C12	C11	0.7°	0.2°
N09	C13	C14	C15	179.3°	179.7°
N09	C13	C12	C17	179.9°	180.0°
C13	N09	C10	H1	179.4°	179.8°
C13	N09	C08	H6	24.6°	34.5°
C13	N09	C08	H7	92.0°	154.6°
N09	C13	C14	H9	0.8°	0.4°
C10	C11	C12	C13	0.3°	0.0°
C10	C11	C12	H8	180.0°	179.9°
C10	C11	C12	C17	179.6°	179.6°
C14	C13	C12	C11	179.8°	180.0°
C13	C14	C15	H9	180.0°	180.0°
C14	C13	C12	C17	0.8°	0.3°
C13	C14	C15	C16	0.1°	0.5°
C13	C14	C15	H2	179.9°	179.7°
C13	C12	C11	C17	179.2°	179.7°
C12	C13	C14	C15	0.5°	0.0°
C13	C12	C17	C16	0.8°	0.0°
C13	C12	C17	H3	179.1°	180.0°
C13	C12	C11	H8	179.7°	179.9°
C12	C13	C14	H9	179.5°	180.0°
C11	C12	C17	C16	180.0°	179.7°
C12	C11	C10	H1	179.8°	180.0°
C11	C12	C17	H3	0.0°	0.4°
C14	C15	C16	H2	180.0°	179.2°
C14	C15	C16	C17	0.1°	0.8°
C14	C15	C16	H10	179.9°	180.0°
C12	C17	C16	C15	0.5°	0.5°
C12	C17	C16	H3	180.0°	180.0°
C17	C12	C11	H8	0.5°	0.3°
C12	C17	C16	H10	179.5°	179.7°
C15	C16	C17	H10	180.0°	179.2°
C15	C16	C17	H3	179.5°	179.4°
C16	C15	C14	H9	179.9°	179.4°
C17	C16	C15	H2	179.9°	180.0°
H1	C10	C11	H8	0.2°	0.1°
H2	C15	C14	H9	0.1°	0.3°
H2	C15	C16	H10	0.1°	0.8°
H3	C17	C16	H10	0.5°	0.3°
H4	C05	C06	H5	0.1°	0.0°
H11	C18	C19	H12	0.3°	0.3°
H13	N02	O01	H14	178.0°	0.0°

Release date:	2020-07-22
Definition date:	2020-04-02
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	6WDY