KY0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C3	doub	1.32Å	1.34Å	Aromatic
N	C4	sing	1.32Å	1.33Å	Aromatic
C3	C2	sing	1.38Å	1.38Å	Aromatic
C4	C5	doub	1.39Å	1.39Å	Aromatic
C2	C1	doub	1.38Å	1.39Å	Aromatic
C5	C1	sing	1.39Å	1.41Å	Aromatic
C5	N1	sing	1.40Å	1.41Å
C1	C	sing	1.51Å	1.51Å
N1	C6	sing	1.35Å	1.35Å
CL	C14	sing	1.74Å	1.74Å
O	C6	doub	1.21Å	1.22Å
C6	C7	sing	1.51Å	1.54Å
C15	C14	doub	1.38Å	1.38Å	Aromatic
C15	C10	sing	1.38Å	1.39Å	Aromatic
C14	C13	sing	1.38Å	1.38Å	Aromatic
C7	C10	sing	1.51Å	1.53Å
C7	C8	sing	1.53Å	1.53Å
C7	C9	sing	1.53Å	1.53Å
C13	C12	doub	1.38Å	1.39Å	Aromatic
C10	C11	doub	1.38Å	1.39Å	Aromatic
C8	C9	sing	1.53Å	1.49Å
C12	C11	sing	1.38Å	1.38Å	Aromatic
N1	H1	sing	0.97Å	1.00Å
C4	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.09Å	1.10Å
C8	H4	sing	1.09Å	1.10Å
C13	H5	sing	1.08Å	1.08Å
C15	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.08Å	1.08Å
C11	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.09Å	1.10Å
C9	H10	sing	1.09Å	1.10Å
C	H11	sing	1.09Å	1.10Å
C	H12	sing	1.09Å	1.10Å
C	H13	sing	1.09Å	1.10Å
C3	H14	sing	1.08Å	1.08Å
C2	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	N	C4	117.3°	121.7°
N	C3	C2	123.5°	120.9°
N	C3	H14	118.2°	119.5°
N	C4	C5	123.6°	120.7°
N	C4	H2	118.2°	119.6°
C3	C2	C1	119.6°	119.3°
C2	C3	H14	118.3°	119.6°
C3	C2	H15	120.2°	120.3°
C4	C5	C1	118.6°	119.0°
C4	C5	N1	121.4°	120.5°
C5	C4	H2	118.2°	119.7°
C2	C1	C5	117.4°	118.4°
C2	C1	C	120.6°	120.8°
C1	C2	H15	120.2°	120.4°
C1	C5	N1	119.9°	120.5°
C5	C1	C	122.0°	120.8°
C5	N1	C6	123.3°	120.0°
C5	N1	H1	118.4°	120.0°
C1	C	H11	109.5°	109.5°
C1	C	H12	109.5°	109.4°
C1	C	H13	109.5°	109.5°
N1	C6	O	122.0°	120.0°
N1	C6	C7	117.4°	119.9°
C6	N1	H1	118.4°	120.0°
CL	C14	C15	118.8°	120.0°
CL	C14	C13	119.3°	120.0°
O	C6	C7	120.5°	120.1°
C6	C7	C10	112.2°	115.5°
C6	C7	C8	116.9°	117.5°
C6	C7	C9	115.2°	117.5°
C14	C15	C10	119.6°	120.0°
C15	C14	C13	121.8°	120.0°
C14	C15	H6	120.2°	120.0°
C15	C10	C7	119.8°	120.0°
C15	C10	C11	119.0°	120.0°
C10	C15	H6	120.2°	120.0°
C14	C13	C12	118.6°	120.0°
C14	C13	H5	120.7°	120.0°
C10	C7	C8	122.0°	117.5°
C10	C7	C9	122.4°	117.5°
C7	C10	C11	120.4°	120.0°
C8	C7	C9	58.4°	60.0°
C7	C8	C9	60.8°	60.0°
C7	C8	H3	119.9°	117.5°
C7	C8	H4	119.9°	117.5°
C7	C9	C8	60.8°	60.0°
C7	C9	H9	119.9°	117.5°
C7	C9	H10	119.8°	117.5°
C13	C12	C11	120.2°	120.0°
C12	C13	H5	120.7°	120.0°
C13	C12	H7	119.9°	120.0°
C10	C11	C12	120.7°	120.0°
C10	C11	H8	119.7°	119.9°
C9	C8	H3	119.9°	117.5°
C9	C8	H4	119.9°	117.5°
C8	C9	H9	119.8°	117.5°
C8	C9	H10	119.9°	117.5°
C11	C12	H7	119.9°	120.0°
C12	C11	H8	119.7°	120.0°
H3	C8	H4	109.5°	115.6°
H9	C9	H10	109.5°	115.5°
H11	C	H12	109.5°	109.5°
H11	C	H13	109.5°	109.4°
H12	C	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C3	C2	H14	180.0°	179.5°
C3	N	C4	C5	1.1°	0.0°
N	C3	C2	C1	0.2°	0.7°
C3	N	C4	H2	178.9°	179.7°
N	C3	C2	H15	179.8°	180.0°
C4	N	C3	C2	0.8°	0.5°
N	C4	C5	H2	180.0°	179.7°
N	C4	C5	C1	0.5°	0.3°
N	C4	C5	N1	177.0°	179.8°
C4	N	C3	H14	179.3°	180.0°
C3	C2	C1	H15	180.0°	179.2°
C3	C2	C1	C5	0.8°	0.5°
C3	C2	C1	C	177.4°	179.5°
C4	C5	C1	C2	0.5°	0.0°
C4	C5	C1	N1	177.5°	180.0°
C4	C5	C1	C	177.7°	179.9°
C4	C5	N1	C6	82.1°	24.1°
C4	C5	N1	H1	97.9°	156.1°
C2	C1	C5	C	178.2°	179.9°
C2	C1	C5	N1	178.0°	180.0°
C2	C1	C	H11	90.9°	90.0°
C2	C1	C	H12	149.1°	30.1°
C2	C1	C	H13	29.1°	150.0°
C1	C2	C3	H14	179.8°	179.7°
C1	C5	N1	C6	95.4°	155.9°
C1	C5	N1	H1	84.6°	23.8°
C1	C5	C4	H2	179.5°	179.9°
C5	C1	C	H11	90.9°	90.0°
C5	C1	C	H12	29.1°	150.0°
C5	C1	C	H13	149.1°	30.0°
C5	C1	C2	H15	179.2°	179.7°
N1	C5	C1	C	0.2°	0.1°
C5	N1	C6	H1	180.0°	179.7°
C5	N1	C6	O	5.4°	1.2°
C5	N1	C6	C7	174.3°	178.8°
N1	C5	C4	H2	3.0°	0.1°
C1	C	H11	H12	120.0°	120.0°
C1	C	H11	H13	120.0°	120.0°
C1	C	H12	H13	120.0°	120.0°
C	C1	C2	H15	2.5°	0.2°
N1	C6	O	C7	179.7°	180.0°
N1	C6	C7	C10	155.4°	50.2°
N1	C6	C7	C8	7.3°	95.5°
N1	C6	C7	C9	58.4°	164.2°
CL	C14	C15	C13	178.1°	179.9°
CL	C14	C15	C10	177.8°	180.0°
CL	C14	C13	C12	175.5°	179.7°
CL	C14	C13	H5	4.5°	0.0°
CL	C14	C15	H6	2.3°	0.0°
O	C6	C7	C10	25.0°	129.8°
O	C6	C7	C8	173.0°	84.4°
O	C6	C7	C9	121.3°	15.8°
O	C6	N1	H1	174.7°	179.1°
C6	C7	C10	C15	77.3°	126.8°
C6	C7	C10	C8	146.1°	145.7°
C6	C7	C10	C9	143.5°	145.6°
C6	C7	C8	C9	104.4°	107.5°
C6	C7	C10	C11	91.8°	52.9°
C7	C6	N1	H1	5.7°	0.9°
C6	C7	C8	H3	5.3°	0.0°
C6	C7	C8	H4	145.9°	145.1°
C6	C7	C9	H9	143.1°	145.0°
C6	C7	C9	H10	2.4°	0.0°
C14	C15	C10	H6	180.0°	180.0°
C14	C15	C10	C7	166.3°	180.0°
C15	C14	C13	C12	2.6°	0.2°
C14	C15	C10	C11	3.0°	0.2°
C15	C14	C13	H5	177.4°	180.0°
C10	C15	C14	C13	0.4°	0.0°
C15	C10	C7	C11	169.2°	179.8°
C15	C10	C7	C8	68.8°	18.9°
C15	C10	C7	C9	139.2°	87.5°
C15	C10	C11	C12	4.2°	0.2°
C15	C10	C11	H8	175.8°	179.8°
C14	C13	C12	H5	180.0°	179.8°
C14	C13	C12	C11	1.4°	0.2°
C13	C14	C15	H6	179.6°	180.0°
C14	C13	C12	H7	178.6°	179.7°
C10	C7	C8	C9	110.9°	107.5°
C7	C10	C11	C12	165.1°	180.0°
C10	C7	C8	H3	139.4°	145.0°
C10	C7	C8	H4	1.2°	0.0°
C7	C10	C15	H6	13.7°	0.0°
C7	C10	C11	H8	14.9°	0.0°
C10	C7	C9	H9	0.6°	0.0°
C10	C7	C9	H10	140.1°	144.9°
C8	C7	C10	C11	122.0°	161.4°
C7	C8	C9	H3	109.7°	107.5°
C7	C8	C9	H4	109.7°	107.5°
C7	C8	H3	H4	144.3°	145.7°
C8	C7	C9	H9	109.7°	107.5°
C8	C7	C9	H10	109.7°	107.5°
C9	C7	C10	C11	51.6°	92.7°
C7	C9	H9	H10	144.3°	145.7°
C13	C12	C11	C10	2.0°	0.0°
C13	C12	C11	H7	180.0°	180.0°
C13	C12	C11	H8	178.0°	180.0°
C10	C11	C12	H8	180.0°	180.0°
C11	C10	C15	H6	177.0°	179.8°
C10	C11	C12	H7	178.0°	179.9°
C9	C8	H3	H4	144.3°	145.7°
C8	C9	H9	H10	144.3°	145.7°
C11	C12	C13	H5	178.5°	180.0°
H3	C8	C9	H9	140.6°	145.0°
H3	C8	C9	H10	0.0°	0.0°
H4	C8	C9	H9	0.0°	0.0°
H4	C8	C9	H10	140.6°	145.1°
H5	C13	C12	H7	1.4°	0.0°
H7	C12	C11	H8	2.0°	0.0°
H11	C	H12	H13	120.0°	120.0°
H14	C3	C2	H15	0.2°	0.5°

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