KK7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	N03	doub	1.32Å	1.35Å	Aromatic
C01	C02	sing	1.39Å	1.38Å	Aromatic
N03	C04	sing	1.33Å	1.35Å	Aromatic
C02	C06	doub	1.39Å	1.39Å	Aromatic
O15	C07	doub	1.22Å	1.23Å
C04	C07	sing	1.48Å	1.48Å
C04	C05	doub	1.39Å	1.39Å	Aromatic
C06	C05	sing	1.39Å	1.39Å	Aromatic
C07	N08	sing	1.35Å	1.38Å
N08	C09	sing	1.40Å	1.42Å
C14	C09	doub	1.39Å	1.39Å	Aromatic
C14	C13	sing	1.38Å	1.40Å	Aromatic
C09	C10	sing	1.39Å	1.41Å	Aromatic
C13	C12	doub	1.38Å	1.39Å	Aromatic
C10	C11	doub	1.39Å	1.40Å	Aromatic
C12	C11	sing	1.39Å	1.40Å	Aromatic
C11	C16	sing	1.48Å	1.47Å
C16	N17	sing	1.37Å	1.38Å	Aromatic
C16	N20	doub	1.31Å	1.33Å	Aromatic
C21	N17	sing	1.46Å	1.44Å
N17	C18	sing	1.36Å	1.36Å	Aromatic
N20	N19	sing	1.29Å	1.37Å	Aromatic
C18	N19	doub	1.31Å	1.31Å	Aromatic
C01	H1	sing	1.08Å	1.08Å
C02	H2	sing	1.08Å	1.08Å
C05	H3	sing	1.08Å	1.08Å
C06	H4	sing	1.08Å	1.08Å
N08	H5	sing	0.97Å	1.00Å
C10	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.08Å	1.08Å
C13	H8	sing	1.08Å	1.08Å
C14	H9	sing	1.08Å	1.08Å
C18	H10	sing	1.08Å	1.08Å
C21	H11	sing	1.09Å	1.10Å
C21	H12	sing	1.09Å	1.10Å
C21	H13	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N03	C01	C02	123.7°	120.9°
C01	N03	C04	117.1°	121.7°
N03	C01	H1	118.2°	119.6°
C01	C02	C06	117.8°	119.4°
C02	C01	H1	118.1°	119.6°
C01	C02	H2	121.1°	120.3°
N03	C04	C07	113.2°	119.7°
N03	C04	C05	123.4°	120.6°
C02	C06	C05	120.0°	118.5°
C06	C02	H2	121.1°	120.3°
C02	C06	H4	120.0°	120.7°
O15	C07	C04	118.5°	120.0°
O15	C07	N08	127.5°	120.0°
C07	C04	C05	123.4°	119.7°
C04	C07	N08	114.0°	120.0°
C04	C05	C06	117.8°	119.0°
C04	C05	H3	121.1°	120.5°
C06	C05	H3	121.1°	120.5°
C05	C06	H4	120.0°	120.7°
C07	N08	C09	127.4°	120.0°
C07	N08	H5	116.3°	120.0°
N08	C09	C14	125.3°	120.0°
N08	C09	C10	115.4°	120.0°
C09	N08	H5	116.3°	120.0°
C09	C14	C13	119.8°	120.2°
C14	C09	C10	119.3°	120.0°
C09	C14	H9	120.1°	119.9°
C14	C13	C12	120.4°	120.2°
C14	C13	H8	119.8°	119.9°
C13	C14	H9	120.1°	119.9°
C09	C10	C11	121.2°	119.7°
C09	C10	H6	119.4°	120.1°
C13	C12	C11	120.7°	120.0°
C13	C12	H7	119.6°	120.0°
C12	C13	H8	119.8°	119.9°
C10	C11	C12	118.5°	119.8°
C10	C11	C16	122.8°	120.0°
C11	C10	H6	119.4°	120.1°
C12	C11	C16	118.7°	120.1°
C11	C12	H7	119.7°	120.0°
C11	C16	N17	128.4°	126.5°
C11	C16	N20	124.0°	126.5°
N17	C16	N20	107.6°	107.0°
C16	N17	C21	129.8°	127.2°
C16	N17	C18	106.3°	105.8°
C16	N20	N19	108.6°	109.7°
C21	N17	C18	123.9°	127.1°
N17	C21	H11	109.5°	109.5°
N17	C21	H12	109.5°	109.5°
N17	C21	H13	109.4°	109.5°
N17	C18	N19	109.6°	107.4°
N17	C18	H10	125.2°	126.3°
N20	N19	C18	107.9°	110.0°
N19	C18	H10	125.2°	126.3°
H11	C21	H12	109.4°	109.5°
H11	C21	H13	109.5°	109.5°
H12	C21	H13	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N03	C01	C02	H1	180.0°	179.7°
N03	C01	C02	C06	0.1°	0.0°
C01	N03	C04	C07	179.5°	180.0°
C01	N03	C04	C05	0.6°	0.0°
N03	C01	C02	H2	179.9°	180.0°
C02	C01	N03	C04	0.6°	0.0°
C01	C02	C06	H2	180.0°	180.0°
C01	C02	C06	C05	0.5°	0.0°
C01	C02	C06	H4	179.5°	180.0°
N03	C04	C07	O15	10.5°	180.0°
N03	C04	C07	C05	179.9°	179.9°
N03	C04	C05	C06	0.0°	0.0°
N03	C04	C07	N08	168.3°	0.0°
C04	N03	C01	H1	179.4°	179.7°
N03	C04	C05	H3	179.9°	180.0°
C02	C06	C05	C04	0.5°	0.0°
C02	C06	C05	H4	180.0°	180.0°
C06	C02	C01	H1	179.9°	179.7°
C02	C06	C05	H3	179.5°	180.0°
O15	C07	C04	N08	178.8°	180.0°
O15	C07	C04	C05	169.6°	0.0°
O15	C07	N08	C09	2.8°	4.7°
O15	C07	N08	H5	177.2°	175.2°
C07	C04	C05	C06	180.0°	180.0°
C04	C07	N08	C09	178.6°	175.4°
C07	C04	C05	H3	0.0°	0.1°
C04	C07	N08	H5	1.5°	4.7°
C04	C05	C06	H3	180.0°	180.0°
C05	C04	C07	N08	11.6°	180.0°
C04	C05	C06	H4	179.5°	180.0°
C05	C06	C02	H2	179.5°	180.0°
C07	N08	C09	H5	180.0°	179.9°
C07	N08	C09	C14	13.8°	145.0°
C07	N08	C09	C10	164.7°	35.2°
N08	C09	C14	C10	178.5°	179.8°
N08	C09	C14	C13	179.1°	179.8°
N08	C09	C10	C11	179.1°	180.0°
N08	C09	C10	H6	0.9°	0.0°
N08	C09	C14	H9	0.9°	0.0°
C09	C14	C13	H9	180.0°	179.8°
C09	C14	C13	C12	0.6°	0.5°
C14	C09	C10	C11	0.5°	0.2°
C14	C09	N08	H5	166.2°	35.0°
C14	C09	C10	H6	179.5°	179.7°
C09	C14	C13	H8	179.5°	179.7°
C13	C14	C09	C10	0.7°	0.5°
C14	C13	C12	H8	180.0°	179.8°
C14	C13	C12	C11	0.3°	0.3°
C14	C13	C12	H7	179.7°	179.8°
C09	C10	C11	H6	180.0°	179.9°
C09	C10	C11	C12	0.3°	0.0°
C09	C10	C11	C16	179.6°	180.0°
C10	C09	N08	H5	15.3°	144.7°
C10	C09	C14	H9	179.4°	179.7°
C13	C12	C11	C10	0.1°	0.0°
C13	C12	C11	H7	180.0°	179.9°
C13	C12	C11	C16	179.7°	180.0°
C12	C13	C14	H9	179.5°	179.7°
C10	C11	C12	C16	179.8°	180.0°
C10	C11	C16	N17	31.5°	162.0°
C10	C11	C16	N20	149.6°	18.4°
C10	C11	C12	H7	179.9°	179.9°
C12	C11	C16	N17	148.6°	18.0°
C12	C11	C16	N20	30.2°	161.6°
C12	C11	C10	H6	179.7°	179.9°
C11	C12	C13	H8	179.7°	179.9°
C11	C16	N17	N20	179.0°	179.7°
C11	C16	N17	C21	0.0°	0.1°
C11	C16	N17	C18	179.8°	179.9°
C11	C16	N20	N19	179.9°	179.9°
C16	C11	C10	H6	0.4°	0.0°
C16	C11	C12	H7	0.3°	0.1°
C16	N17	C21	C18	179.8°	180.0°
N17	C16	N20	N19	0.9°	0.4°
C16	N17	C18	N19	0.4°	0.0°
C16	N17	C18	H10	179.6°	180.0°
C16	N17	C21	H11	180.0°	84.1°
C16	N17	C21	H12	60.0°	155.8°
C16	N17	C21	H13	60.0°	35.9°
N20	C16	N17	C21	179.0°	179.8°
N20	C16	N17	C18	0.8°	0.2°
C16	N20	N19	C18	0.6°	0.4°
C21	N17	C18	N19	179.4°	180.0°
C21	N17	C18	H10	0.6°	0.0°
N17	C21	H11	H12	120.0°	120.1°
N17	C21	H11	H13	120.0°	120.0°
N17	C21	H12	H13	120.0°	120.0°
N17	C18	N19	N20	0.1°	0.2°
N17	C18	N19	H10	180.0°	180.0°
C18	N17	C21	H11	0.2°	95.9°
C18	N17	C21	H12	120.2°	24.2°
C18	N17	C21	H13	119.8°	144.1°
N20	N19	C18	H10	179.9°	179.8°
H1	C01	C02	H2	0.1°	0.3°
H2	C02	C06	H4	0.5°	0.1°
H3	C05	C06	H4	0.5°	0.0°
H7	C12	C13	H8	0.3°	0.0°
H8	C13	C14	H9	0.5°	0.1°
H11	C21	H12	H13	120.0°	120.0°

Release date:	2018-09-19
Definition date:	2018-07-13
Last modified:	2018-09-14
Release status:	REL
Processing site:	RCSB
Derived from:	6E2M