0HV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O20	C18	doub	1.21Å	1.35Å
O19	C18	sing	1.35Å	1.22Å
C01	C02	doub	1.38Å	1.34Å	Aromatic
C01	C06	sing	1.40Å	1.35Å	Aromatic
C18	C06	sing	1.48Å	1.37Å
C02	C03	sing	1.38Å	1.35Å	Aromatic
C06	C05	doub	1.40Å	1.36Å	Aromatic
C03	C04	doub	1.39Å	1.36Å	Aromatic
C05	C04	sing	1.39Å	1.36Å	Aromatic
C04	N07	sing	1.40Å	1.30Å
N07	C08	sing	1.39Å	1.29Å
C08	C09	doub	1.38Å	1.35Å	Aromatic
C08	C13	sing	1.41Å	1.37Å	Aromatic
C09	C10	sing	1.39Å	1.35Å	Aromatic
C17	C13	doub	1.40Å	1.36Å	Aromatic
C17	C16	sing	1.36Å	1.34Å	Aromatic
C13	C12	sing	1.42Å	1.38Å	Aromatic
C10	C11	doub	1.36Å	1.35Å	Aromatic
C16	C15	doub	1.39Å	1.34Å	Aromatic
C12	C11	sing	1.41Å	1.36Å	Aromatic
C12	C14	doub	1.41Å	1.36Å	Aromatic
C11	N21	sing	1.48Å	1.27Å
C15	C14	sing	1.36Å	1.34Å	Aromatic
N21	O23	sing	1.22Å	1.32Å
N21	O22	doub	1.22Å	1.31Å
C01	H1	sing	1.08Å	1.08Å
C02	H2	sing	1.08Å	1.08Å
C03	H3	sing	1.08Å	1.08Å
C05	H4	sing	1.08Å	1.08Å
N07	H5	sing	0.97Å	1.00Å
C09	H6	sing	1.08Å	1.08Å
C10	H7	sing	1.08Å	1.08Å
C14	H8	sing	1.08Å	1.08Å
C15	H9	sing	1.08Å	1.08Å
C16	H10	sing	1.08Å	1.08Å
C17	H11	sing	1.08Å	1.08Å
O19	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O20	C18	O19	117.2°	120.1°
O20	C18	C06	123.1°	120.0°
O19	C18	C06	119.6°	120.0°
C18	O19	H12	109.5°	117.0°
C02	C01	C06	119.2°	120.0°
C01	C02	C03	120.6°	120.2°
C02	C01	H1	120.4°	120.0°
C01	C02	H2	119.7°	119.8°
C01	C06	C18	119.6°	120.1°
C01	C06	C05	118.8°	119.8°
C06	C01	H1	120.4°	120.0°
C18	C06	C05	121.5°	120.1°
C02	C03	C04	122.6°	120.2°
C03	C02	H2	119.7°	119.9°
C02	C03	H3	118.7°	119.9°
C06	C05	C04	123.6°	119.7°
C06	C05	H4	118.2°	120.1°
C03	C04	C05	115.2°	120.0°
C03	C04	N07	114.1°	120.0°
C04	C03	H3	118.7°	119.9°
C05	C04	N07	130.7°	120.0°
C04	C05	H4	118.2°	120.1°
C04	N07	C08	141.6°	120.1°
C04	N07	H5	109.1°	120.0°
N07	C08	C09	122.8°	120.3°
N07	C08	C13	122.1°	120.4°
C08	N07	H5	109.2°	120.0°
C09	C08	C13	115.1°	119.4°
C08	C09	C10	123.1°	120.8°
C08	C09	H6	118.4°	119.7°
C08	C13	C17	121.2°	121.2°
C08	C13	C12	121.8°	119.4°
C09	C10	C11	122.8°	121.0°
C10	C09	H6	118.5°	119.6°
C09	C10	H7	118.6°	119.5°
C13	C17	C16	123.8°	119.7°
C17	C13	C12	117.0°	119.4°
C13	C17	H11	118.1°	120.1°
C17	C16	C15	119.0°	120.9°
C17	C16	H10	120.5°	119.6°
C16	C17	H11	118.1°	120.2°
C13	C12	C11	121.5°	119.5°
C13	C12	C14	118.1°	119.4°
C10	C11	C12	115.7°	120.0°
C10	C11	N21	116.4°	120.0°
C11	C10	H7	118.6°	119.5°
C16	C15	C14	118.5°	121.0°
C16	C15	H9	120.8°	119.5°
C15	C16	H10	120.5°	119.5°
C11	C12	C14	120.5°	121.2°
C12	C11	N21	127.9°	120.0°
C12	C14	C15	123.6°	119.6°
C12	C14	H8	118.2°	120.2°
C11	N21	O23	125.2°	120.0°
C11	N21	O22	128.1°	120.0°
C15	C14	H8	118.2°	120.2°
C14	C15	H9	120.7°	119.5°
O23	N21	O22	106.7°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O20	C18	O19	C06	177.7°	179.9°
O20	C18	C06	C01	145.6°	180.0°
O20	C18	C06	C05	37.2°	0.1°
O20	C18	O19	H12	0.0°	0.0°
O19	C18	C06	C01	36.8°	0.0°
O19	C18	C06	C05	140.3°	180.0°
C02	C01	C06	H1	180.0°	179.7°
C02	C01	C06	C18	177.0°	179.9°
C01	C02	C03	H2	180.0°	180.0°
C02	C01	C06	C05	0.2°	0.0°
C01	C02	C03	C04	0.0°	0.0°
C01	C02	C03	H3	179.9°	179.9°
C01	C06	C18	C05	177.1°	179.9°
C06	C01	C02	C03	0.0°	0.0°
C01	C06	C05	C04	0.5°	0.0°
C06	C01	C02	H2	180.0°	180.0°
C01	C06	C05	H4	179.5°	180.0°
C18	C06	C05	C04	176.7°	180.0°
C18	C06	C01	H1	3.0°	0.3°
C18	C06	C05	H4	3.3°	0.1°
C06	C18	O19	H12	177.7°	179.9°
C02	C03	C04	H3	180.0°	179.9°
C02	C03	C04	C05	0.3°	0.0°
C02	C03	C04	N07	177.2°	180.0°
C03	C02	C01	H1	180.0°	179.7°
C06	C05	C04	C03	0.5°	0.0°
C06	C05	C04	H4	180.0°	179.9°
C06	C05	C04	N07	176.5°	180.0°
C05	C06	C01	H1	179.8°	179.8°
C03	C04	C05	N07	177.0°	180.0°
C03	C04	N07	C08	159.5°	141.6°
C04	C03	C02	H2	179.9°	180.0°
C03	C04	C05	H4	179.5°	179.9°
C03	C04	N07	H5	20.5°	38.5°
C05	C04	N07	C08	17.5°	38.4°
C05	C04	C03	H3	179.7°	179.9°
C05	C04	N07	H5	162.5°	141.5°
C04	N07	C08	H5	180.0°	180.0°
C04	N07	C08	C09	19.5°	8.0°
C04	N07	C08	C13	162.3°	171.7°
N07	C04	C03	H3	2.9°	0.1°
N07	C04	C05	H4	3.5°	0.1°
N07	C08	C09	C13	178.3°	179.7°
N07	C08	C09	C10	178.1°	180.0°
N07	C08	C13	C17	1.9°	0.0°
N07	C08	C13	C12	178.4°	179.8°
N07	C08	C09	H6	1.9°	0.1°
C08	C09	C10	H6	180.0°	180.0°
C09	C08	C13	C17	179.7°	179.7°
C09	C08	C13	C12	0.0°	0.6°
C08	C09	C10	C11	0.4°	0.0°
C09	C08	N07	H5	160.5°	172.0°
C08	C09	C10	H7	179.6°	179.9°
C13	C08	C09	C10	0.2°	0.3°
C08	C13	C17	C12	179.7°	179.7°
C08	C13	C17	C16	179.7°	179.2°
C08	C13	C12	C11	0.2°	0.5°
C08	C13	C12	C14	179.7°	179.7°
C13	C08	N07	H5	17.7°	8.3°
C13	C08	C09	H6	179.8°	179.8°
C08	C13	C17	H11	0.3°	0.0°
C09	C10	C11	H7	180.0°	179.9°
C09	C10	C11	C12	0.3°	0.1°
C09	C10	C11	N21	177.1°	180.0°
C13	C17	C16	H11	180.0°	179.2°
C13	C17	C16	C15	0.0°	0.9°
C17	C13	C12	C11	179.9°	179.7°
C17	C13	C12	C14	0.0°	0.0°
C13	C17	C16	H10	179.9°	179.7°
C16	C17	C13	C12	0.0°	0.6°
C17	C16	C15	H10	180.0°	179.4°
C17	C16	C15	C14	0.1°	0.6°
C17	C16	C15	H9	179.9°	179.4°
C13	C12	C11	C10	0.0°	0.2°
C13	C12	C11	C14	179.9°	179.7°
C13	C12	C11	N21	176.4°	179.7°
C13	C12	C14	C15	0.0°	0.2°
C13	C12	C14	H8	180.0°	179.7°
C12	C13	C17	H11	180.0°	179.7°
C10	C11	C12	N21	176.4°	180.0°
C10	C11	C12	C14	179.9°	180.0°
C10	C11	N21	O23	34.5°	38.7°
C10	C11	N21	O22	144.5°	141.3°
C11	C10	C09	H6	179.6°	179.9°
C16	C15	C14	C12	0.1°	0.1°
C16	C15	C14	H9	180.0°	179.9°
C16	C15	C14	H8	179.9°	180.0°
C15	C16	C17	H11	180.0°	179.9°
C11	C12	C14	C15	179.8°	180.0°
C12	C11	N21	O23	149.1°	141.3°
C12	C11	N21	O22	31.9°	38.7°
C12	C11	C10	H7	179.8°	180.0°
C11	C12	C14	H8	0.2°	0.0°
C14	C12	C11	N21	3.7°	0.0°
C12	C14	C15	H8	180.0°	180.0°
C12	C14	C15	H9	179.9°	180.0°
C11	N21	O23	O22	179.1°	180.0°
N21	C11	C10	H7	2.9°	0.1°
C14	C15	C16	H10	179.9°	179.9°
H1	C01	C02	H2	0.0°	0.3°
H2	C02	C03	H3	0.1°	0.1°
H6	C09	C10	H7	0.4°	0.0°
H8	C14	C15	H9	0.1°	0.0°
H9	C15	C16	H10	0.1°	0.0°
H10	C16	C17	H11	0.1°	0.5°

Definition date:	2012-01-19
Last modified:	2012-03-23
Release status:	REL
Processing site:	RCSB
Derived from:	4DBS