KKL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	C02	doub	1.38Å	1.45Å	Aromatic
C01	C06	sing	1.40Å	1.32Å	Aromatic
C02	C03	sing	1.39Å	1.35Å	Aromatic
C03	C04	doub	1.39Å	1.31Å	Aromatic
C03	N23	sing	1.39Å	1.47Å
C04	C05	sing	1.38Å	1.59Å	Aromatic
C05	C06	doub	1.40Å	1.27Å	Aromatic
C06	C07	sing	1.47Å	1.55Å
C07	N09	sing	1.35Å	1.65Å
C07	O08	doub	1.22Å	1.16Å
C10	N09	sing	1.38Å	1.35Å
C10	N14	doub	1.31Å	1.28Å	Aromatic
C10	O11	sing	1.35Å	1.50Å	Aromatic
C12	C15	sing	1.48Å	1.37Å
C12	N13	doub	1.31Å	1.36Å	Aromatic
C12	O11	sing	1.35Å	1.52Å	Aromatic
C15	C16	doub	1.40Å	1.60Å	Aromatic
C15	C20	sing	1.40Å	1.36Å	Aromatic
C16	C17	sing	1.38Å	1.29Å	Aromatic
C17	C18	doub	1.40Å	1.46Å	Aromatic
C18	C19	sing	1.40Å	1.40Å	Aromatic
C18	C21	sing	1.43Å	1.63Å
C19	C20	doub	1.38Å	1.45Å	Aromatic
C21	C22	trip	1.17Å	1.08Å
C01	H1	sing	1.08Å	1.08Å
C02	H2	sing	1.08Å	1.08Å
C04	H3	sing	1.08Å	1.08Å
C05	H4	sing	1.08Å	1.08Å
C16	H6	sing	1.08Å	1.08Å
C17	H7	sing	1.08Å	1.08Å
C19	H8	sing	1.08Å	1.08Å
C20	H9	sing	1.08Å	1.08Å
C22	H10	sing	1.05Å	1.06Å
N09	H11	sing	0.97Å	1.00Å
N23	H16	sing	0.97Å	1.00Å
N23	H17	sing	0.97Å	1.00Å
N14	N13	sing	1.29Å	1.73Å	Aromatic

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C02	C01	C06	120.4°	119.9°
C01	C02	C03	121.0°	120.0°
C02	C01	H1	119.8°	120.1°
C01	C02	H2	119.5°	120.0°
C01	C06	C05	121.7°	119.8°
C01	C06	C07	119.6°	120.1°
C06	C01	H1	119.8°	120.0°
C02	C03	C04	119.8°	120.2°
C02	C03	N23	116.5°	119.9°
C03	C02	H2	119.5°	120.0°
C04	C03	N23	123.7°	119.9°
C03	C04	C05	117.8°	120.1°
C03	C04	H3	121.1°	119.9°
C03	N23	H16	109.5°	120.0°
C03	N23	H17	109.5°	120.0°
C04	C05	C06	119.2°	119.9°
C05	C04	H3	121.1°	120.0°
C04	C05	H4	120.4°	120.0°
C05	C06	C07	118.7°	120.1°
C06	C05	H4	120.4°	120.0°
C06	C07	N09	117.7°	120.0°
C06	C07	O08	120.4°	120.0°
N09	C07	O08	122.0°	120.0°
C07	N09	C10	120.3°	120.0°
C07	N09	H11	119.8°	120.0°
N09	C10	N14	126.6°	126.3°
N09	C10	O11	124.4°	126.3°
C10	N09	H11	119.8°	120.0°
N14	C10	O11	109.0°	107.4°
C10	N14	N13	108.6°	109.5°
C10	O11	C12	110.3°	106.4°
C15	C12	N13	126.3°	126.3°
C15	C12	O11	126.0°	126.3°
C12	C15	C16	118.3°	120.0°
C12	C15	C20	122.8°	120.0°
N13	C12	O11	107.7°	107.4°
C12	N13	N14	104.4°	109.3°
C16	C15	C20	118.9°	120.0°
C15	C16	C17	119.1°	120.0°
C15	C16	H6	120.4°	120.0°
C15	C20	C19	119.4°	120.0°
C15	C20	H9	120.3°	120.0°
C16	C17	C18	120.7°	120.0°
C17	C16	H6	120.5°	119.9°
C16	C17	H7	119.6°	120.0°
C17	C18	C19	121.7°	120.0°
C17	C18	C21	115.7°	120.0°
C18	C17	H7	119.7°	120.0°
C19	C18	C21	122.7°	120.0°
C18	C19	C20	120.2°	120.0°
C18	C19	H8	119.9°	120.0°
C18	C21	C22	179.9°	180.0°
C20	C19	H8	119.9°	120.0°
C19	C20	H9	120.3°	120.0°
C21	C22	H10	180.0°	179.9°
H16	N23	H17	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C02	C01	C06	H1	180.0°	179.7°
C01	C02	C03	H2	180.0°	180.0°
C01	C02	C03	C04	1.2°	0.0°
C01	C02	C03	N23	178.5°	180.0°
C02	C01	C06	C05	0.2°	0.0°
C02	C01	C06	C07	179.9°	180.0°
C06	C01	C02	C03	0.4°	0.0°
C01	C06	C05	C04	0.2°	0.0°
C01	C06	C05	C07	179.7°	179.9°
C01	C06	C07	N09	172.9°	180.0°
C01	C06	C07	O08	6.5°	0.1°
C06	C01	C02	H2	179.5°	180.0°
C01	C06	C05	H4	179.8°	180.0°
C02	C03	C04	N23	177.1°	180.0°
C02	C03	C04	C05	1.2°	0.0°
C03	C02	C01	H1	179.6°	179.8°
C02	C03	C04	H3	178.8°	180.0°
C02	C03	N23	H16	180.0°	0.1°
C02	C03	N23	H17	60.0°	180.0°
C03	C04	C05	H3	180.0°	180.0°
C03	C04	C05	C06	0.5°	0.0°
C04	C03	C02	H2	178.8°	180.0°
C03	C04	C05	H4	179.5°	180.0°
C04	C03	N23	H16	2.8°	180.0°
C04	C03	N23	H17	122.8°	0.0°
N23	C03	C04	C05	178.3°	180.0°
N23	C03	C02	H2	1.5°	0.0°
N23	C03	C04	H3	1.7°	0.0°
C03	N23	H16	H17	120.0°	179.9°
C04	C05	C06	H4	180.0°	180.0°
C04	C05	C06	C07	179.9°	180.0°
C05	C06	C07	N09	6.8°	0.1°
C05	C06	C07	O08	173.8°	180.0°
C05	C06	C01	H1	179.8°	179.8°
C06	C05	C04	H3	179.5°	180.0°
C06	C07	N09	O08	179.4°	179.9°
C06	C07	N09	C10	179.9°	180.0°
C07	C06	C01	H1	0.0°	0.3°
C07	C06	C05	H4	0.1°	0.1°
C06	C07	N09	H11	0.1°	0.1°
C07	N09	C10	H11	180.0°	180.0°
C07	N09	C10	N14	33.4°	0.0°
C07	N09	C10	O11	147.7°	179.7°
O08	C07	N09	C10	0.5°	0.0°
O08	C07	N09	H11	179.5°	180.0°
N09	C10	N14	O11	179.1°	179.7°
N09	C10	O11	C12	179.6°	180.0°
N09	C10	N14	N13	179.5°	180.0°
C10	N14	N13	C12	0.3°	0.1°
N14	C10	O11	C12	0.5°	0.2°
N14	C10	N09	H11	146.6°	180.0°
C10	O11	C12	C15	180.0°	179.8°
C10	O11	C12	N13	0.3°	0.2°
O11	C10	N09	H11	32.3°	0.3°
O11	C10	N14	N13	0.5°	0.2°
C15	C12	N13	O11	179.7°	180.0°
C12	C15	C16	C20	179.5°	179.7°
C12	C15	C16	C17	179.8°	180.0°
C12	C15	C20	C19	179.8°	179.7°
C12	C15	C16	H6	0.2°	0.0°
C12	C15	C20	H9	0.2°	0.1°
C15	C12	N13	N14	179.7°	179.9°
N13	C12	C15	C16	2.8°	0.0°
N13	C12	C15	C20	177.7°	179.7°
O11	C12	C15	C16	176.8°	180.0°
O11	C12	C15	C20	2.7°	0.3°
O11	C12	N13	N14	0.1°	0.0°
C15	C16	C17	H6	180.0°	180.0°
C15	C16	C17	C18	0.2°	0.0°
C16	C15	C20	C19	0.3°	0.6°
C15	C16	C17	H7	179.8°	180.0°
C16	C15	C20	H9	179.7°	179.8°
C20	C15	C16	C17	0.3°	0.2°
C15	C20	C19	C18	0.1°	0.6°
C15	C20	C19	H9	180.0°	179.6°
C20	C15	C16	H6	179.7°	179.7°
C15	C20	C19	H8	179.9°	179.7°
C16	C17	C18	H7	180.0°	180.0°
C16	C17	C18	C19	0.0°	0.0°
C16	C17	C18	C21	180.0°	180.0°
C17	C18	C19	C21	179.9°	180.0°
C17	C18	C19	C20	0.0°	0.3°
C17	C18	C21	C22	169.0°	180.0°
C18	C17	C16	H6	179.8°	180.0°
C17	C18	C19	H8	180.0°	180.0°
C18	C19	C20	H8	180.0°	179.6°
C19	C18	C21	C22	11.0°	0.0°
C19	C18	C17	H7	180.0°	180.0°
C18	C19	C20	H9	179.9°	179.7°
C21	C18	C19	C20	179.9°	179.7°
C21	C18	C17	H7	0.0°	0.0°
C21	C18	C19	H8	0.0°	0.0°
C18	C21	C22	H10	28.4°	100.1°
H1	C01	C02	H2	0.5°	0.2°
H3	C04	C05	H4	0.5°	0.0°
H6	C16	C17	H7	0.2°	0.0°
H8	C19	C20	H9	0.2°	0.1°

Release date:	2021-02-10
Definition date:	2019-04-19
Last modified:	2021-02-05
Release status:	REL
Processing site:	RCSB
Derived from:	6OM6