V4K

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O01	C02	sing	1.43Å	1.40Å
C03	C02	sing	1.53Å	1.53Å
C03	C04	sing	1.53Å	1.53Å
C18	C04	sing	1.53Å	1.49Å
C18	C17	sing	1.53Å	1.53Å
C04	C05	sing	1.53Å	1.49Å
C17	N07	sing	1.47Å	1.49Å
O16	C08	doub	1.22Å	1.18Å
N07	C08	sing	1.35Å	1.47Å
N07	C06	sing	1.47Å	1.50Å
C08	C09	sing	1.48Å	1.54Å
C05	C06	sing	1.53Å	1.52Å
C10	C09	doub	1.40Å	1.39Å	Aromatic
C10	C11	sing	1.38Å	1.38Å	Aromatic
C09	C14	sing	1.40Å	1.39Å	Aromatic
C11	C12	doub	1.40Å	1.38Å	Aromatic
C14	C13	doub	1.38Å	1.39Å	Aromatic
C12	C13	sing	1.40Å	1.39Å	Aromatic
C12	C15	sing	1.47Å	1.53Å
C02	H1	sing	1.09Å	1.10Å
C02	H2	sing	1.09Å	1.10Å
C03	H3	sing	1.09Å	1.10Å
C03	H4	sing	1.09Å	1.10Å
C04	H5	sing	1.09Å	1.10Å
C05	H6	sing	1.09Å	1.10Å
C05	H7	sing	1.09Å	1.10Å
C06	H8	sing	1.09Å	1.10Å
C06	H9	sing	1.09Å	1.10Å
C10	H10	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C13	H12	sing	1.08Å	1.08Å
C14	H13	sing	1.08Å	1.08Å
C15	H14	sing	1.08Å	1.08Å
C17	H17	sing	1.09Å	1.10Å
C17	H18	sing	1.09Å	1.10Å
C18	H19	sing	1.09Å	1.10Å
C18	H20	sing	1.09Å	1.10Å
O01	H21	sing	0.97Å	0.95Å
C15	O1	doub	1.21Å	1.43Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O01	C02	C03	108.8°	109.5°
O01	C02	H1	109.7°	109.5°
O01	C02	H2	109.6°	109.5°
C02	O01	H21	109.5°	114.0°
C02	C03	C04	109.9°	109.5°
C03	C02	H1	109.7°	109.4°
C03	C02	H2	109.6°	109.5°
C02	C03	H3	109.3°	109.5°
C02	C03	H4	109.4°	109.5°
C03	C04	C18	113.3°	109.4°
C03	C04	C05	110.9°	109.5°
C04	C03	H3	109.4°	109.5°
C04	C03	H4	109.4°	109.4°
C03	C04	H5	106.2°	109.5°
C04	C18	C17	109.3°	109.3°
C18	C04	C05	112.7°	109.5°
C18	C04	H5	106.6°	109.5°
C04	C18	H19	109.5°	109.5°
C04	C18	H20	109.5°	109.5°
C18	C17	N07	105.9°	108.8°
C18	C17	H17	110.3°	109.6°
C18	C17	H18	110.3°	109.7°
C17	C18	H19	109.5°	109.5°
C17	C18	H20	109.5°	109.5°
C04	C05	C06	108.3°	109.3°
C05	C04	H5	106.7°	109.4°
C04	C05	H6	109.8°	109.5°
C04	C05	H7	109.7°	109.5°
C17	N07	C08	126.2°	120.7°
C17	N07	C06	107.8°	118.7°
N07	C17	H17	110.4°	109.6°
N07	C17	H18	110.4°	109.5°
O16	C08	N07	120.1°	120.0°
O16	C08	C09	120.6°	120.0°
C08	N07	C06	126.0°	120.6°
N07	C08	C09	119.3°	120.0°
N07	C06	C05	107.3°	108.8°
N07	C06	H8	110.0°	109.6°
N07	C06	H9	110.0°	109.7°
C08	C09	C10	117.9°	120.0°
C08	C09	C14	122.1°	120.0°
C06	C05	H6	109.8°	109.5°
C06	C05	H7	109.8°	109.5°
C05	C06	H8	110.0°	109.6°
C05	C06	H9	110.0°	109.6°
C09	C10	C11	120.5°	120.0°
C10	C09	C14	119.9°	120.1°
C09	C10	H10	119.8°	120.0°
C10	C11	C12	119.7°	120.0°
C11	C10	H10	119.8°	120.0°
C10	C11	H11	120.2°	120.0°
C09	C14	C13	119.6°	120.0°
C09	C14	H13	120.2°	120.0°
C11	C12	C13	120.1°	119.9°
C11	C12	C15	119.5°	120.0°
C12	C11	H11	120.2°	120.0°
C14	C13	C12	120.2°	120.0°
C14	C13	H12	119.9°	119.9°
C13	C14	H13	120.2°	120.0°
C13	C12	C15	120.4°	120.0°
C12	C13	H12	119.9°	120.0°
C12	C15	H14	122.8°	119.9°
C12	C15	O1	114.5°	120.0°
H1	C02	H2	109.5°	109.5°
H3	C03	H4	109.4°	109.5°
H6	C05	H7	109.5°	109.5°
H8	C06	H9	109.5°	109.6°
H14	C15	O1	122.7°	120.0°
H17	C17	H18	109.5°	109.6°
H19	C18	H20	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O01	C02	C03	H1	119.9°	120.0°
O01	C02	C03	H2	119.9°	120.0°
O01	C02	C03	C04	73.5°	180.0°
O01	C02	H1	H2	120.3°	120.0°
O01	C02	C03	H3	46.6°	60.0°
O01	C02	C03	H4	166.4°	60.0°
C02	C03	C04	H3	120.1°	120.0°
C02	C03	C04	H4	120.1°	120.0°
C02	C03	C04	C18	152.7°	65.0°
C02	C03	C04	C05	79.5°	175.0°
C03	C02	H1	H2	120.3°	120.0°
C02	C03	H3	H4	119.8°	120.1°
C02	C03	C04	H5	36.0°	55.0°
C03	C02	O01	H21	180.0°	180.0°
C03	C04	C18	C05	127.0°	120.0°
C03	C04	C18	H5	116.4°	120.0°
C03	C04	C18	C17	176.4°	178.6°
C03	C04	C05	H5	115.2°	120.0°
C03	C04	C05	C06	174.7°	178.7°
C04	C03	C02	H1	166.6°	60.0°
C04	C03	C02	H2	46.4°	60.0°
C04	C03	H3	H4	119.8°	119.9°
C03	C04	C05	H6	65.4°	61.4°
C03	C04	C05	H7	54.9°	58.7°
C03	C04	C18	H19	56.4°	58.7°
C03	C04	C18	H20	63.6°	61.5°
C04	C18	C17	H19	120.0°	119.9°
C04	C18	C17	H20	120.0°	120.0°
C18	C04	C05	H5	116.6°	120.0°
C04	C18	C17	N07	6.2°	54.7°
C18	C04	C05	C06	57.0°	61.4°
C18	C04	C03	H3	32.6°	55.1°
C18	C04	C03	H4	87.3°	175.0°
C18	C04	C05	H6	62.8°	58.6°
C18	C04	C05	H7	176.8°	178.6°
C04	C18	C17	H17	125.6°	65.1°
C04	C18	C17	H18	113.3°	174.5°
C04	C18	H19	H20	120.1°	120.1°
C17	C18	C04	C05	56.6°	61.4°
C18	C17	N07	H17	119.4°	119.8°
C18	C17	N07	H18	119.4°	119.9°
C18	C17	N07	C08	108.8°	126.4°
C18	C17	N07	C06	68.0°	53.6°
C17	C18	C04	H5	60.0°	58.6°
C18	C17	H17	H18	121.6°	120.5°
C17	C18	H19	H20	120.1°	120.1°
C04	C05	C06	N07	4.8°	54.6°
C04	C05	C06	H6	119.8°	120.0°
C04	C05	C06	H7	119.8°	120.0°
C05	C04	C03	H3	160.5°	64.9°
C05	C04	C03	H4	40.6°	55.0°
C04	C05	H6	H7	120.5°	120.1°
C04	C05	C06	H8	124.4°	174.4°
C04	C05	C06	H9	114.9°	65.3°
C05	C04	C18	H19	176.6°	178.7°
C05	C04	C18	H20	63.4°	58.5°
C17	N07	C08	O16	1.9°	5.9°
C17	N07	C08	C06	176.3°	180.0°
C17	N07	C08	C09	177.2°	174.2°
C17	N07	C06	C05	67.9°	53.6°
C17	N07	C06	H8	172.5°	173.4°
C17	N07	C06	H9	51.7°	66.3°
N07	C17	H17	H18	121.7°	120.3°
N07	C17	C18	H19	113.8°	174.6°
N07	C17	C18	H20	126.2°	65.3°
O16	C08	N07	C09	179.2°	180.0°
O16	C08	N07	C06	178.2°	174.2°
O16	C08	C09	C10	110.2°	138.6°
O16	C08	C09	C14	69.6°	41.2°
C08	N07	C06	C05	109.0°	126.4°
N07	C08	C09	C10	69.0°	41.5°
N07	C08	C09	C14	111.3°	138.8°
C08	N07	C06	H8	10.7°	6.6°
C08	N07	C06	H9	131.4°	113.7°
C08	N07	C17	H17	10.6°	113.8°
C08	N07	C17	H18	131.7°	6.5°
C06	N07	C08	C09	0.9°	5.8°
N07	C06	C05	H8	119.6°	119.8°
N07	C06	C05	H9	119.7°	120.0°
N07	C06	C05	H6	124.6°	65.3°
N07	C06	C05	H7	115.0°	174.6°
N07	C06	H8	H9	121.0°	120.4°
C06	N07	C17	H17	172.6°	66.2°
C06	N07	C17	H18	51.4°	173.5°
C08	C09	C10	C14	179.8°	179.8°
C08	C09	C10	C11	179.9°	180.0°
C08	C09	C14	C13	180.0°	179.8°
C08	C09	C10	H10	0.1°	0.0°
C08	C09	C14	H13	0.0°	0.0°
C06	C05	C04	H5	59.5°	58.7°
C06	C05	H6	H7	120.5°	120.0°
C05	C06	H8	H9	121.0°	120.2°
C09	C10	C11	H10	180.0°	179.9°
C09	C10	C11	C12	0.3°	0.1°
C10	C09	C14	C13	0.3°	0.5°
C09	C10	C11	H11	179.7°	179.9°
C10	C09	C14	H13	179.8°	179.7°
C11	C10	C09	C14	0.4°	0.3°
C10	C11	C12	H11	180.0°	180.0°
C10	C11	C12	C13	0.2°	0.0°
C10	C11	C12	C15	179.9°	180.0°
C09	C14	C13	H13	180.0°	179.8°
C09	C14	C13	C12	0.1°	0.4°
C14	C09	C10	H10	179.7°	179.8°
C09	C14	C13	H12	179.9°	179.8°
C11	C12	C13	C14	0.1°	0.2°
C11	C12	C13	C15	180.0°	180.0°
C12	C11	C10	H10	179.7°	180.0°
C11	C12	C13	H12	179.9°	180.0°
C11	C12	C15	H14	42.2°	180.0°
C11	C12	C15	O1	137.8°	0.0°
C14	C13	C12	H12	180.0°	179.8°
C14	C13	C12	C15	180.0°	179.8°
C13	C12	C11	H11	179.8°	180.0°
C12	C13	C14	H13	179.9°	179.8°
C13	C12	C15	H14	137.8°	0.0°
C13	C12	C15	O1	42.2°	180.0°
C15	C12	C11	H11	0.1°	0.0°
C15	C12	C13	H12	0.0°	0.0°
C12	C15	H14	O1	180.0°	180.0°
H1	C02	C03	H3	73.3°	60.0°
H1	C02	C03	H4	46.5°	180.0°
H1	C02	O01	H21	60.1°	60.0°
H2	C02	C03	H3	166.5°	180.0°
H2	C02	C03	H4	73.7°	60.0°
H2	C02	O01	H21	60.1°	60.0°
H3	C03	C04	H5	84.0°	175.1°
H4	C03	C04	H5	156.1°	65.0°
H5	C04	C05	H6	179.4°	178.6°
H5	C04	C05	H7	60.3°	61.3°
H5	C04	C18	H19	60.0°	61.3°
H5	C04	C18	H20	180.0°	178.5°
H6	C05	C06	H8	115.7°	54.4°
H6	C05	C06	H9	5.0°	174.7°
H7	C05	C06	H8	4.6°	65.6°
H7	C05	C06	H9	125.3°	54.7°
H10	C10	C11	H11	0.3°	0.0°
H12	C13	C14	H13	0.1°	0.1°
H17	C17	C18	H19	5.7°	54.8°
H17	C17	C18	H20	114.4°	174.9°
H18	C17	C18	H19	126.8°	65.6°
H18	C17	C18	H20	6.7°	54.5°

Release date:	2021-06-09
Definition date:	2021-04-12
Last modified:	2021-06-04
Release status:	REL
Processing site:	PDBE
Derived from:	7O6F