KVF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	N2	doub	1.28Å	1.37Å	Aromatic
N1	C5	sing	1.32Å	1.32Å	Aromatic
N2	C6	sing	1.32Å	1.34Å	Aromatic
C5	C4	doub	1.39Å	1.39Å	Aromatic
C6	C7	doub	1.38Å	1.39Å	Aromatic
C4	C7	sing	1.40Å	1.41Å	Aromatic
C4	N	sing	1.40Å	1.41Å
C7	C8	sing	1.51Å	1.51Å
N	C3	sing	1.35Å	1.35Å
CL	C13	sing	1.74Å	1.74Å
O	C3	doub	1.21Å	1.23Å
C3	C2	sing	1.51Å	1.53Å
C14	C13	doub	1.38Å	1.38Å	Aromatic
C14	C9	sing	1.38Å	1.39Å	Aromatic
C13	C12	sing	1.38Å	1.38Å	Aromatic
C1	C2	sing	1.53Å	1.54Å
C1	C	sing	1.53Å	1.51Å
C2	C9	sing	1.51Å	1.52Å
C9	C10	doub	1.38Å	1.39Å	Aromatic
C12	C11	doub	1.38Å	1.39Å	Aromatic
C10	C11	sing	1.38Å	1.39Å	Aromatic
C5	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.09Å	1.10Å
C8	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.09Å	1.10Å
C10	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.08Å	1.08Å
C11	H8	sing	1.08Å	1.08Å
C14	H9	sing	1.08Å	1.08Å
C2	H10	sing	1.09Å	1.10Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C	H13	sing	1.09Å	1.10Å
C	H14	sing	1.09Å	1.10Å
C	H15	sing	1.09Å	1.10Å
N	H16	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	N1	C5	119.6°	122.3°
N1	N2	C6	119.6°	122.4°
N1	C5	C4	123.8°	119.7°
N1	C5	H1	118.1°	120.2°
N2	C6	C7	122.8°	119.9°
N2	C6	H2	118.6°	120.0°
C5	C4	C7	116.9°	117.8°
C5	C4	N	117.6°	121.1°
C4	C5	H1	118.1°	120.1°
C6	C7	C4	117.2°	117.9°
C6	C7	C8	120.4°	121.1°
C7	C6	H2	118.6°	120.1°
C7	C4	N	122.8°	121.1°
C4	C7	C8	122.2°	121.1°
C4	N	C3	136.5°	120.0°
C4	N	H16	111.7°	120.0°
C7	C8	H3	109.5°	109.5°
C7	C8	H4	109.5°	109.4°
C7	C8	H5	109.5°	109.5°
N	C3	O	122.4°	120.0°
N	C3	C2	115.8°	120.0°
C3	N	H16	111.8°	120.1°
CL	C13	C14	118.9°	120.0°
CL	C13	C12	119.3°	120.0°
O	C3	C2	121.8°	120.0°
C3	C2	C1	114.3°	109.5°
C3	C2	C9	108.5°	109.4°
C3	C2	H10	107.0°	109.5°
C13	C14	C9	119.6°	120.0°
C14	C13	C12	121.8°	120.0°
C13	C14	H9	120.2°	120.0°
C14	C9	C2	119.6°	120.0°
C14	C9	C10	118.9°	120.0°
C9	C14	H9	120.2°	120.0°
C13	C12	C11	118.6°	120.0°
C13	C12	H7	120.7°	120.0°
C2	C1	C	112.7°	109.5°
C1	C2	C9	112.6°	109.5°
C1	C2	H10	107.0°	109.5°
C2	C1	H11	108.6°	109.4°
C2	C1	H12	108.7°	109.5°
C	C1	H11	108.6°	109.5°
C	C1	H12	108.6°	109.5°
C1	C	H13	109.5°	109.5°
C1	C	H14	109.5°	109.5°
C1	C	H15	109.5°	109.6°
C2	C9	C10	121.2°	120.0°
C9	C2	H10	107.2°	109.5°
C9	C10	C11	120.7°	120.0°
C9	C10	H6	119.6°	120.0°
C12	C11	C10	120.2°	120.0°
C11	C12	H7	120.7°	120.0°
C12	C11	H8	119.9°	120.0°
C11	C10	H6	119.7°	120.0°
C10	C11	H8	119.9°	120.0°
H3	C8	H4	109.5°	109.5°
H3	C8	H5	109.5°	109.5°
H4	C8	H5	109.5°	109.4°
H11	C1	H12	109.5°	109.5°
H13	C	H14	109.5°	109.4°
H13	C	H15	109.5°	109.4°
H14	C	H15	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	N1	C5	C4	2.5°	0.1°
N1	N2	C6	C7	0.6°	0.1°
N2	N1	C5	H1	177.5°	180.0°
N1	N2	C6	H2	179.4°	180.0°
C5	N1	N2	C6	0.6°	0.1°
N1	C5	C4	H1	180.0°	179.9°
N1	C5	C4	C7	3.0°	0.1°
N1	C5	C4	N	158.6°	179.9°
N2	C6	C7	H2	180.0°	179.9°
N2	C6	C7	C4	0.0°	0.0°
N2	C6	C7	C8	175.0°	180.0°
C5	C4	C7	C6	1.6°	0.0°
C5	C4	C7	N	160.6°	180.0°
C5	C4	C7	C8	173.2°	180.0°
C5	C4	N	C3	114.6°	33.8°
C5	C4	N	H16	65.4°	146.1°
C6	C7	C4	C8	174.8°	180.0°
C6	C7	C4	N	159.0°	180.0°
C6	C7	C8	H3	87.4°	90.0°
C6	C7	C8	H4	152.6°	30.0°
C6	C7	C8	H5	32.6°	149.9°
C7	C4	N	C3	45.9°	146.2°
C7	C4	C5	H1	177.0°	180.0°
C4	C7	C6	H2	180.0°	180.0°
C4	C7	C8	H3	87.2°	90.0°
C4	C7	C8	H4	32.8°	150.0°
C4	C7	C8	H5	152.8°	30.1°
C7	C4	N	H16	134.1°	33.8°
N	C4	C7	C8	26.2°	0.0°
C4	N	C3	H16	180.0°	180.0°
C4	N	C3	O	39.4°	4.1°
C4	N	C3	C2	141.7°	175.9°
N	C4	C5	H1	21.3°	0.1°
C8	C7	C6	H2	5.0°	0.1°
C7	C8	H3	H4	120.0°	119.9°
C7	C8	H3	H5	120.0°	120.1°
C7	C8	H4	H5	120.0°	119.9°
N	C3	O	C2	178.8°	180.0°
N	C3	C2	C1	12.5°	60.0°
N	C3	C2	C9	139.0°	180.0°
N	C3	C2	H10	105.7°	60.0°
CL	C13	C14	C12	177.0°	179.6°
CL	C13	C14	C9	176.5°	179.7°
CL	C13	C12	C11	174.4°	180.0°
CL	C13	C12	H7	5.6°	0.5°
CL	C13	C14	H9	3.4°	0.5°
O	C3	C2	C1	166.4°	120.0°
O	C3	C2	C9	39.9°	0.0°
O	C3	C2	H10	75.4°	120.0°
O	C3	N	H16	140.6°	175.9°
C3	C2	C9	C14	71.8°	120.0°
C3	C2	C1	C9	124.4°	120.0°
C3	C2	C1	H10	118.2°	120.0°
C3	C2	C1	C	165.6°	175.0°
C3	C2	C9	H10	115.2°	120.0°
C3	C2	C9	C10	101.4°	60.0°
C3	C2	C1	H11	45.2°	55.0°
C3	C2	C1	H12	73.9°	65.0°
C2	C3	N	H16	38.3°	4.1°
C13	C14	C9	H9	180.0°	179.2°
C13	C14	C9	C2	171.0°	179.5°
C13	C14	C9	C10	2.4°	0.5°
C14	C13	C12	C11	2.6°	0.4°
C14	C13	C12	H7	177.4°	180.0°
C9	C14	C13	C12	0.5°	0.7°
C14	C9	C2	C1	55.6°	120.0°
C14	C9	C2	C10	173.2°	180.0°
C14	C9	C10	C11	3.2°	0.0°
C14	C9	C10	H6	176.8°	179.7°
C14	C9	C2	H10	173.0°	0.0°
C13	C12	C11	H7	180.0°	179.5°
C13	C12	C11	C10	1.9°	0.1°
C13	C12	C11	H8	178.2°	179.9°
C12	C13	C14	H9	179.5°	180.0°
C2	C1	C	H11	120.5°	119.9°
C2	C1	C	H12	120.5°	120.0°
C1	C2	C9	H10	117.3°	120.0°
C1	C2	C9	C10	131.1°	60.0°
C2	C1	H11	H12	118.5°	120.0°
C2	C1	C	H13	180.0°	180.0°
C2	C1	C	H14	60.0°	60.1°
C2	C1	C	H15	60.0°	60.0°
C	C1	C2	C9	70.0°	65.1°
C	C1	C2	H10	47.4°	55.0°
C	C1	H11	H12	118.5°	120.1°
C1	C	H13	H14	120.0°	120.0°
C1	C	H13	H15	120.0°	120.1°
C1	C	H14	H15	120.0°	120.1°
C2	C9	C10	C11	170.1°	180.0°
C2	C9	C10	H6	9.9°	0.3°
C2	C9	C14	H9	9.1°	0.2°
C9	C2	C1	H11	169.5°	175.0°
C9	C2	C1	H12	50.4°	55.0°
C9	C10	C11	C12	1.0°	0.3°
C9	C10	C11	H6	180.0°	179.8°
C9	C10	C11	H8	179.0°	179.7°
C10	C9	C14	H9	177.6°	179.8°
C10	C9	C2	H10	13.8°	180.0°
C12	C11	C10	H8	180.0°	180.0°
C12	C11	C10	H6	179.0°	180.0°
C10	C11	C12	H7	178.1°	179.5°
H3	C8	H4	H5	120.0°	120.0°
H6	C10	C11	H8	1.1°	0.0°
H7	C12	C11	H8	1.8°	0.5°
H10	C2	C1	H11	73.0°	65.0°
H10	C2	C1	H12	167.9°	175.0°
H11	C1	C	H13	59.5°	60.0°
H11	C1	C	H14	179.5°	180.0°
H11	C1	C	H15	60.5°	60.0°
H12	C1	C	H13	59.5°	60.0°
H12	C1	C	H14	60.5°	59.9°
H12	C1	C	H15	179.5°	180.0°
H13	C	H14	H15	120.0°	119.9°

Release date:	2023-11-08
Definition date:	2023-08-14
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	7GBG