VOB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	C02	sing	1.53Å	1.53Å
C04	N03	sing	1.47Å	1.47Å
C04	C05	sing	1.53Å	1.53Å
C02	N03	sing	1.47Å	1.45Å
N03	C06	sing	1.47Å	1.47Å
C06	C07	sing	1.53Å	1.56Å
C07	O08	sing	1.43Å	1.42Å
O08	C09	sing	1.36Å	1.44Å
C09	C14	doub	1.39Å	1.39Å	Aromatic
C09	C10	sing	1.39Å	1.40Å	Aromatic
C14	C13	sing	1.38Å	1.38Å	Aromatic
C10	C11	doub	1.38Å	1.40Å	Aromatic
C13	C12	doub	1.38Å	1.39Å	Aromatic
C11	C12	sing	1.38Å	1.38Å	Aromatic
C12	N15	sing	1.48Å	1.44Å
N15	O17	doub	1.22Å	1.39Å
N15	O16	doub	1.22Å	1.18Å
C10	H1	sing	1.08Å	1.08Å
C13	H2	sing	1.08Å	1.08Å
C01	H3	sing	1.09Å	1.10Å
C01	H4	sing	1.09Å	1.10Å
C01	H5	sing	1.09Å	1.10Å
C02	H6	sing	1.09Å	1.10Å
C02	H7	sing	1.09Å	1.10Å
C04	H8	sing	1.09Å	1.10Å
C04	H9	sing	1.09Å	1.10Å
C05	H10	sing	1.09Å	1.10Å
C05	H11	sing	1.09Å	1.10Å
C05	H12	sing	1.09Å	1.10Å
C06	H13	sing	1.09Å	1.10Å
C06	H14	sing	1.09Å	1.10Å
C07	H15	sing	1.09Å	1.10Å
C07	H16	sing	1.09Å	1.10Å
C11	H17	sing	1.08Å	1.08Å
C14	H18	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	C02	N03	109.3°	109.5°
C02	C01	H3	109.5°	109.4°
C02	C01	H4	109.5°	109.5°
C02	C01	H5	109.5°	109.5°
C01	C02	H6	109.5°	109.5°
C01	C02	H7	109.5°	109.5°
N03	C04	C05	110.2°	109.4°
C04	N03	C02	110.0°	111.0°
C04	N03	C06	110.6°	111.0°
N03	C04	H8	109.3°	109.5°
N03	C04	H9	109.3°	109.5°
C05	C04	H8	109.3°	109.4°
C05	C04	H9	109.3°	109.4°
C04	C05	H10	109.5°	109.5°
C04	C05	H11	109.5°	109.5°
C04	C05	H12	109.5°	109.5°
C02	N03	C06	111.1°	111.0°
N03	C02	H6	109.5°	109.4°
N03	C02	H7	109.5°	109.4°
N03	C06	C07	112.8°	109.5°
N03	C06	H13	108.6°	109.5°
N03	C06	H14	108.6°	109.4°
C06	C07	O08	111.0°	109.5°
C07	C06	H13	108.6°	109.5°
C07	C06	H14	108.7°	109.5°
C06	C07	H15	109.1°	109.5°
C06	C07	H16	109.1°	109.5°
C07	O08	C09	113.8°	117.0°
O08	C07	H15	109.1°	109.5°
O08	C07	H16	109.1°	109.4°
O08	C09	C14	118.8°	120.1°
O08	C09	C10	120.9°	120.1°
C14	C09	C10	120.4°	119.9°
C09	C14	C13	119.0°	119.9°
C09	C14	H18	120.5°	120.0°
C09	C10	C11	120.7°	119.9°
C09	C10	H1	119.6°	120.0°
C14	C13	C12	120.4°	120.1°
C14	C13	H2	119.8°	120.0°
C13	C14	H18	120.5°	120.1°
C10	C11	C12	117.8°	120.1°
C11	C10	H1	119.6°	120.0°
C10	C11	H17	121.1°	120.0°
C13	C12	C11	121.7°	120.1°
C13	C12	N15	117.2°	119.9°
C12	C13	H2	119.8°	120.0°
C11	C12	N15	121.1°	120.0°
C12	C11	H17	121.1°	119.9°
C12	N15	O17	115.1°	120.0°
C12	N15	O16	122.8°	120.0°
O17	N15	O16	122.1°	120.0°
H3	C01	H4	109.5°	109.5°
H3	C01	H5	109.5°	109.5°
H4	C01	H5	109.5°	109.5°
H6	C02	H7	109.5°	109.5°
H8	C04	H9	109.5°	109.5°
H10	C05	H11	109.5°	109.5°
H10	C05	H12	109.5°	109.5°
H11	C05	H12	109.4°	109.4°
H13	C06	H14	109.5°	109.4°
H15	C07	H16	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C02	N03	C04	60.4°	59.3°
C01	C02	N03	H6	120.0°	120.0°
C01	C02	N03	H7	120.0°	120.0°
C01	C02	N03	C06	176.8°	64.6°
C02	C01	H3	H4	120.0°	120.0°
C02	C01	H3	H5	120.0°	120.0°
C02	C01	H4	H5	120.0°	120.0°
C01	C02	H6	H7	120.1°	120.0°
N03	C04	C05	H8	120.1°	120.0°
N03	C04	C05	H9	120.1°	120.0°
C04	N03	C02	C06	122.8°	123.9°
C04	N03	C06	C07	100.9°	160.4°
C04	N03	C02	H6	59.6°	179.3°
C04	N03	C02	H7	179.6°	60.7°
N03	C04	H8	H9	119.7°	120.1°
N03	C04	C05	H10	180.0°	60.0°
N03	C04	C05	H11	60.0°	60.0°
N03	C04	C05	H12	60.0°	180.0°
C04	N03	C06	H13	138.6°	79.6°
C04	N03	C06	H14	19.6°	40.3°
C05	C04	N03	C02	43.1°	66.1°
C05	C04	N03	C06	80.0°	170.0°
C05	C04	H8	H9	119.7°	120.0°
C04	C05	H10	H11	120.0°	120.0°
C04	C05	H10	H12	120.0°	120.0°
C04	C05	H11	H12	120.0°	120.0°
C02	N03	C06	C07	21.6°	75.7°
N03	C02	C01	H3	180.0°	179.7°
N03	C02	C01	H4	60.0°	60.3°
N03	C02	C01	H5	60.0°	59.7°
N03	C02	H6	H7	120.1°	120.0°
C02	N03	C04	H8	163.2°	174.0°
C02	N03	C04	H9	77.0°	53.9°
C02	N03	C06	H13	98.9°	44.4°
C02	N03	C06	H14	142.1°	164.3°
N03	C06	C07	H13	120.5°	120.0°
N03	C06	C07	H14	120.5°	120.0°
N03	C06	C07	O08	88.7°	63.9°
C06	N03	C02	H6	63.2°	55.4°
C06	N03	C02	H7	56.8°	175.4°
C06	N03	C04	H8	40.1°	50.1°
C06	N03	C04	H9	159.9°	70.0°
N03	C06	H13	H14	118.5°	119.9°
N03	C06	C07	H15	31.5°	176.1°
N03	C06	C07	H16	151.0°	56.1°
C06	C07	O08	H15	120.2°	120.0°
C06	C07	O08	H16	120.2°	120.0°
C06	C07	O08	C09	136.3°	180.0°
C07	C06	H13	H14	118.5°	120.0°
C06	C07	H15	H16	119.3°	120.0°
C07	O08	C09	C14	26.0°	180.0°
C07	O08	C09	C10	152.9°	0.1°
O08	C07	C06	H13	150.8°	176.1°
O08	C07	C06	H14	31.8°	56.1°
O08	C07	H15	H16	119.3°	120.0°
O08	C09	C14	C10	178.9°	180.0°
O08	C09	C14	C13	179.4°	179.5°
O08	C09	C10	C11	179.7°	180.0°
O08	C09	C10	H1	0.4°	0.3°
C09	O08	C07	H15	103.5°	60.0°
C09	O08	C07	H16	16.0°	60.0°
O08	C09	C14	H18	0.6°	0.0°
C09	C14	C13	H18	180.0°	179.5°
C14	C09	C10	C11	0.8°	0.0°
C09	C14	C13	C12	0.1°	0.8°
C14	C09	C10	H1	179.3°	179.7°
C09	C14	C13	H2	179.9°	179.7°
C10	C09	C14	C13	0.5°	0.5°
C09	C10	C11	H1	180.0°	179.7°
C09	C10	C11	C12	0.6°	0.3°
C09	C10	C11	H17	179.4°	179.7°
C10	C09	C14	H18	179.5°	180.0°
C14	C13	C12	H2	180.0°	179.5°
C14	C13	C12	C11	0.0°	0.5°
C14	C13	C12	N15	179.0°	180.0°
C10	C11	C12	C13	0.2°	0.1°
C10	C11	C12	H17	180.0°	180.0°
C10	C11	C12	N15	178.8°	179.4°
C13	C12	C11	N15	179.0°	179.5°
C13	C12	N15	O17	7.8°	0.0°
C13	C12	N15	O16	174.2°	180.0°
C13	C12	C11	H17	179.8°	180.0°
C12	C13	C14	H18	179.9°	179.7°
C11	C12	N15	O17	171.2°	179.5°
C11	C12	N15	O16	6.8°	0.5°
C12	C11	C10	H1	179.4°	180.0°
C11	C12	C13	H2	180.0°	180.0°
C12	N15	O17	O16	178.0°	179.9°
N15	C12	C13	H2	1.0°	0.5°
N15	C12	C11	H17	1.2°	0.5°
H1	C10	C11	H17	0.6°	0.0°
H2	C13	C14	H18	0.1°	0.3°
H3	C01	H4	H5	120.0°	120.0°
H3	C01	C02	H6	60.0°	60.3°
H3	C01	C02	H7	60.0°	59.7°
H4	C01	C02	H6	60.0°	59.7°
H4	C01	C02	H7	180.0°	179.7°
H5	C01	C02	H6	180.0°	179.7°
H5	C01	C02	H7	59.9°	60.2°
H8	C04	C05	H10	59.9°	60.0°
H8	C04	C05	H11	179.9°	180.0°
H8	C04	C05	H12	60.1°	60.0°
H9	C04	C05	H10	59.9°	180.0°
H9	C04	C05	H11	60.1°	60.0°
H9	C04	C05	H12	179.9°	60.0°
H10	C05	H11	H12	120.0°	120.0°
H13	C06	C07	H15	89.0°	56.1°
H13	C06	C07	H16	30.5°	64.0°
H14	C06	C07	H15	152.0°	63.9°
H14	C06	C07	H16	88.5°	176.0°

Release date:	2024-04-03
Definition date:	2023-03-21
Last modified:	2024-03-29
Release status:	REL
Processing site:	PDBE
Derived from:	8OHK