6VA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C17	C18	doub	1.38Å	1.39Å	Aromatic
C17	C16	sing	1.38Å	1.37Å	Aromatic
C18	C19	sing	1.38Å	1.39Å	Aromatic
C16	C15	doub	1.38Å	1.39Å	Aromatic
C19	C20	doub	1.38Å	1.39Å	Aromatic
C15	C20	sing	1.38Å	1.38Å	Aromatic
C15	C14	sing	1.51Å	1.51Å
C14	CA	sing	1.53Å	1.54Å
CA	N	sing	1.47Å	1.45Å
CA	C	sing	1.53Å	1.54Å
O	C	sing	1.43Å	1.41Å
C	C22	sing	1.53Å	1.55Å
C22	O6	sing	1.43Å	1.43Å
C22	C24	sing	1.53Å	1.52Å
C22	C23	sing	1.53Å	1.53Å
N	H	sing	1.01Å	1.00Å
N	H2	sing	1.01Å	1.00Å
C14	H4	sing	1.09Å	1.10Å
C14	H5	sing	1.09Å	1.10Å
C16	H6	sing	1.08Å	1.08Å
C17	H7	sing	1.08Å	1.08Å
C18	H8	sing	1.08Å	1.08Å
C19	H9	sing	1.08Å	1.08Å
C20	H10	sing	1.08Å	1.08Å
C24	H11	sing	1.09Å	1.10Å
C24	H12	sing	1.09Å	1.10Å
C24	H13	sing	1.09Å	1.10Å
CA	HA	sing	1.09Å	1.10Å
C23	H15	sing	1.09Å	1.10Å
C23	H16	sing	1.09Å	1.10Å
C23	H17	sing	1.09Å	1.10Å
C	H18	sing	1.09Å	1.10Å
O6	H19	sing	0.97Å	0.95Å
O	H20	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C18	C17	C16	117.8°	120.0°
C17	C18	C19	121.2°	120.0°
C18	C17	H7	121.1°	120.0°
C17	C18	H8	119.4°	120.0°
C17	C16	C15	122.7°	120.0°
C17	C16	H6	118.6°	120.0°
C16	C17	H7	121.1°	120.0°
C18	C19	C20	119.2°	120.0°
C19	C18	H8	119.4°	120.0°
C18	C19	H9	120.4°	120.0°
C16	C15	C20	118.2°	120.0°
C16	C15	C14	116.6°	120.0°
C15	C16	H6	118.6°	120.0°
C19	C20	C15	120.8°	120.0°
C20	C19	H9	120.4°	120.0°
C19	C20	H10	119.6°	120.0°
C20	C15	C14	125.2°	120.0°
C15	C20	H10	119.6°	120.0°
C15	C14	CA	118.2°	109.5°
C15	C14	H4	107.2°	109.5°
C15	C14	H5	107.2°	109.5°
C14	CA	N	112.0°	109.5°
C14	CA	C	111.3°	109.5°
CA	C14	H4	107.2°	109.4°
CA	C14	H5	107.2°	109.5°
C14	CA	HA	106.8°	109.5°
N	CA	C	111.7°	109.5°
CA	N	H	109.5°	111.0°
CA	N	H2	109.5°	111.0°
N	CA	HA	107.9°	109.4°
CA	C	O	104.1°	109.5°
CA	C	C22	117.0°	109.5°
C	CA	HA	106.8°	109.5°
CA	C	H18	107.8°	109.5°
O	C	C22	110.6°	109.5°
O	C	H18	109.5°	109.5°
C	O	H20	109.5°	114.0°
C	C22	O6	107.5°	109.4°
C	C22	C24	113.9°	109.5°
C	C22	C23	114.3°	109.5°
C22	C	H18	107.7°	109.4°
O6	C22	C24	106.6°	109.5°
O6	C22	C23	106.1°	109.5°
C22	O6	H19	109.5°	114.0°
C24	C22	C23	108.0°	109.5°
C22	C24	H11	109.5°	109.5°
C22	C24	H12	109.5°	109.5°
C22	C24	H13	109.5°	109.5°
C22	C23	H15	109.5°	109.5°
C22	C23	H16	109.4°	109.5°
C22	C23	H17	109.5°	109.4°
H	N	H2	109.4°	111.0°
H4	C14	H5	109.5°	109.5°
H11	C24	H12	109.5°	109.4°
H11	C24	H13	109.5°	109.4°
H12	C24	H13	109.4°	109.5°
H15	C23	H16	109.5°	109.5°
H15	C23	H17	109.5°	109.5°
H16	C23	H17	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C18	C17	C16	H7	180.0°	179.9°
C17	C18	C19	H8	180.0°	180.0°
C18	C17	C16	C15	3.9°	0.0°
C17	C18	C19	C20	0.6°	0.1°
C18	C17	C16	H6	176.1°	180.0°
C17	C18	C19	H9	179.4°	180.0°
C16	C17	C18	C19	2.1°	0.0°
C17	C16	C15	H6	180.0°	179.9°
C17	C16	C15	C20	3.0°	0.0°
C17	C16	C15	C14	177.5°	179.8°
C16	C17	C18	H8	177.9°	179.9°
C18	C19	C20	H9	180.0°	179.9°
C18	C19	C20	C15	1.6°	0.1°
C19	C18	C17	H7	177.9°	180.0°
C18	C19	C20	H10	178.4°	179.7°
C16	C15	C20	C19	0.2°	0.0°
C16	C15	C20	C14	179.5°	179.7°
C16	C15	C14	CA	159.7°	89.7°
C16	C15	C14	H4	79.1°	30.3°
C16	C15	C14	H5	38.4°	150.3°
C15	C16	C17	H7	176.1°	179.9°
C16	C15	C20	H10	179.8°	179.7°
C19	C20	C15	H10	180.0°	179.7°
C19	C20	C15	C14	179.6°	179.7°
C20	C19	C18	H8	179.4°	179.9°
C20	C15	C14	CA	20.8°	90.0°
C20	C15	C14	H4	100.4°	150.0°
C20	C15	C14	H5	142.1°	30.0°
C20	C15	C16	H6	177.0°	180.0°
C15	C20	C19	H9	178.4°	180.0°
C15	C14	CA	H4	121.2°	120.0°
C15	C14	CA	H5	121.2°	120.0°
C15	C14	CA	N	69.6°	65.0°
C15	C14	CA	C	164.6°	175.0°
C15	C14	H4	H5	116.0°	120.0°
C14	C15	C16	H6	2.5°	0.3°
C14	C15	C20	H10	0.4°	0.0°
C15	C14	CA	HA	48.3°	55.0°
C14	CA	N	C	125.6°	120.0°
C14	CA	N	HA	117.3°	120.0°
C14	CA	C	HA	116.3°	120.0°
C14	CA	C	O	63.6°	60.1°
C14	CA	C	C22	174.1°	179.9°
C14	CA	N	H	180.0°	60.0°
C14	CA	N	H2	60.0°	64.0°
CA	C14	H4	H5	116.0°	120.0°
C14	CA	C	H18	52.6°	60.0°
N	CA	C	HA	117.7°	120.0°
N	CA	C	O	62.4°	59.9°
N	CA	C	C22	59.9°	60.1°
CA	N	H	H2	120.0°	123.9°
N	CA	C14	H4	169.2°	175.0°
N	CA	C14	H5	51.7°	55.0°
N	CA	C	H18	178.6°	180.0°
CA	C	O	C22	126.5°	120.0°
CA	C	O	H18	115.0°	120.0°
CA	C	C22	H18	121.5°	120.0°
CA	C	C22	O6	65.9°	62.2°
CA	C	C22	C24	51.9°	57.8°
CA	C	C22	C23	176.6°	177.8°
C	CA	N	H	54.3°	60.1°
C	CA	N	H2	65.6°	176.0°
C	CA	C14	H4	43.3°	55.0°
C	CA	C14	H5	74.2°	65.0°
CA	C	O	H20	180.0°	60.0°
O	C	C22	H18	119.6°	120.0°
O	C	C22	O6	53.0°	57.8°
O	C	C22	C24	170.8°	177.8°
O	C	C22	C23	64.5°	62.2°
O	C	CA	HA	179.9°	179.9°
C	C22	O6	C24	122.5°	120.0°
C	C22	O6	C23	122.6°	120.0°
C	C22	C24	C23	128.0°	120.0°
C	C22	C24	H11	180.0°	60.0°
C	C22	C24	H12	60.0°	60.0°
C	C22	C24	H13	60.0°	180.0°
C22	C	CA	HA	57.8°	59.9°
C	C22	C23	H15	180.0°	174.9°
C	C22	C23	H16	60.0°	54.9°
C	C22	C23	H17	60.0°	65.1°
C	C22	O6	H19	180.0°	180.0°
C22	C	O	H20	53.5°	60.0°
O6	C22	C24	C23	113.6°	120.0°
O6	C22	C24	H11	61.6°	60.0°
O6	C22	C24	H12	58.4°	179.9°
O6	C22	C24	H13	178.4°	60.0°
O6	C22	C23	H15	61.7°	65.1°
O6	C22	C23	H16	178.3°	174.8°
O6	C22	C23	H17	58.3°	54.9°
O6	C22	C	H18	172.6°	177.8°
C22	C24	H11	H12	120.0°	120.0°
C22	C24	H11	H13	120.0°	120.0°
C22	C24	H12	H13	120.0°	120.1°
C24	C22	C23	H15	52.3°	54.9°
C24	C22	C23	H16	67.8°	65.1°
C24	C22	C23	H17	172.2°	174.9°
C24	C22	C	H18	69.6°	62.2°
C24	C22	O6	H19	57.5°	60.0°
C23	C22	C24	H11	52.0°	180.0°
C23	C22	C24	H12	172.0°	60.0°
C23	C22	C24	H13	68.0°	60.0°
C22	C23	H15	H16	120.0°	120.0°
C22	C23	H15	H17	120.0°	120.0°
C22	C23	H16	H17	120.0°	120.0°
C23	C22	C	H18	55.1°	57.8°
C23	C22	O6	H19	57.4°	60.0°
H	N	CA	HA	62.8°	179.9°
H2	N	CA	HA	177.2°	56.0°
H4	C14	CA	HA	72.9°	65.1°
H5	C14	CA	HA	169.5°	174.9°
H6	C16	C17	H7	3.9°	0.0°
H7	C17	C18	H8	2.1°	0.0°
H8	C18	C19	H9	0.6°	0.0°
H9	C19	C20	H10	1.6°	0.3°
H11	C24	H12	H13	120.0°	120.0°
HA	CA	C	H18	63.6°	60.1°
H15	C23	H16	H17	120.0°	120.0°
H18	C	O	H20	65.0°	180.0°

Release date:	2016-08-17
Definition date:	2016-07-04
Last modified:	2023-11-03
Release status:	REL
Processing site:	EBI
Derived from:	5LEY