CKX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C3	sing	1.43Å	1.44Å
O4	C4	sing	1.43Å	1.44Å
C3	C4	sing	1.53Å	1.53Å
C3	C2	sing	1.53Å	1.54Å
C4	C5	sing	1.53Å	1.53Å
C2	N	sing	1.47Å	1.46Å
C5	C6	sing	1.51Å	1.51Å
C5	C7	sing	1.53Å	1.53Å
O61	C6	doub	1.21Å	1.23Å
N	C7	sing	1.47Å	1.46Å
C6	O62	sing	1.34Å	1.34Å
C7	C8	sing	1.53Å	1.53Å
C8	C9	sing	1.53Å	1.53Å
C9	C10	sing	1.53Å	1.52Å
N	H1	sing	1.01Å	1.00Å
C10	H3	sing	1.09Å	1.10Å
C10	H4	sing	1.09Å	1.10Å
C10	H5	sing	1.09Å	1.10Å
C2	H6	sing	1.09Å	1.10Å
C2	H7	sing	1.09Å	1.10Å
C3	H8	sing	1.09Å	1.10Å
C4	H9	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C7	H11	sing	1.09Å	1.10Å
C8	H12	sing	1.09Å	1.10Å
C8	H13	sing	1.09Å	1.10Å
C9	H14	sing	1.09Å	1.10Å
C9	H15	sing	1.09Å	1.10Å
O3	H16	sing	0.97Å	0.95Å
O4	H17	sing	0.97Å	0.95Å
O62	H18	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C3	C4	109.8°	109.5°
O3	C3	C2	109.1°	109.5°
O3	C3	H8	109.4°	109.6°
C3	O3	H16	109.5°	114.0°
O4	C4	C3	112.1°	109.5°
O4	C4	C5	113.0°	109.5°
O4	C4	H9	108.4°	109.6°
C4	O4	H17	109.5°	113.9°
C4	C3	C2	112.2°	109.3°
C3	C4	C5	108.4°	109.1°
C4	C3	H8	108.2°	109.5°
C3	C4	H9	107.4°	109.5°
C3	C2	N	111.0°	109.5°
C3	C2	H6	109.1°	109.4°
C3	C2	H7	109.1°	109.4°
C2	C3	H8	108.1°	109.4°
C4	C5	C6	110.4°	109.5°
C4	C5	C7	106.2°	109.3°
C5	C4	H9	107.4°	109.5°
C4	C5	H10	109.4°	109.5°
C2	N	C7	118.3°	111.2°
C2	N	H1	107.3°	111.0°
N	C2	H6	109.1°	109.5°
N	C2	H7	109.1°	109.4°
C6	C5	C7	111.9°	109.5°
C5	C6	O61	121.5°	120.0°
C5	C6	O62	119.2°	120.1°
C6	C5	H10	109.6°	109.5°
C5	C7	N	108.7°	109.5°
C5	C7	C8	116.1°	109.5°
C7	C5	H10	109.3°	109.6°
C5	C7	H11	107.2°	109.5°
O61	C6	O62	119.2°	120.0°
N	C7	C8	109.2°	109.5°
C7	N	H1	107.2°	111.0°
N	C7	H11	108.2°	109.4°
C6	O62	H18	109.5°	117.1°
C7	C8	C9	110.3°	109.5°
C8	C7	H11	107.2°	109.4°
C7	C8	H12	109.3°	109.5°
C7	C8	H13	109.2°	109.5°
C8	C9	C10	112.1°	109.5°
C9	C8	H12	109.2°	109.5°
C9	C8	H13	109.2°	109.5°
C8	C9	H14	108.8°	109.5°
C8	C9	H15	108.8°	109.4°
C9	C10	H3	109.5°	109.5°
C9	C10	H4	109.5°	109.5°
C9	C10	H5	109.4°	109.5°
C10	C9	H14	108.8°	109.5°
C10	C9	H15	108.8°	109.5°
H3	C10	H4	109.5°	109.4°
H3	C10	H5	109.5°	109.5°
H4	C10	H5	109.5°	109.4°
H6	C2	H7	109.5°	109.4°
H12	C8	H13	109.5°	109.4°
H14	C9	H15	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C3	C4	O4	55.8°	62.6°
O3	C3	C4	C2	121.5°	119.9°
O3	C3	C4	H8	119.4°	120.2°
O3	C3	C2	H8	118.9°	120.2°
O3	C3	C4	C5	178.8°	177.6°
O3	C3	C2	N	167.0°	179.1°
O3	C3	C2	H6	46.8°	60.8°
O3	C3	C2	H7	72.7°	59.1°
O3	C3	C4	H9	63.2°	57.7°
O4	C4	C3	C5	125.4°	119.9°
O4	C4	C3	H9	118.9°	120.3°
O4	C4	C3	C2	177.3°	177.5°
O4	C4	C5	H9	119.4°	120.3°
O4	C4	C5	C6	48.2°	62.5°
O4	C4	C5	C7	169.7°	177.5°
O4	C4	C3	H8	63.6°	57.6°
O4	C4	C5	H10	72.5°	57.5°
C4	C3	C2	H8	119.3°	119.9°
C3	C4	C5	H9	115.7°	119.9°
C4	C3	C2	N	45.1°	59.2°
C3	C4	C5	C6	173.0°	177.7°
C3	C4	C5	C7	65.5°	57.7°
C4	C3	C2	H6	75.1°	179.2°
C4	C3	C2	H7	165.4°	60.8°
C3	C4	C5	H10	52.4°	62.3°
C4	C3	O3	H16	180.0°	179.9°
C3	C4	O4	H17	180.0°	60.0°
C2	C3	C4	C5	57.4°	57.6°
C3	C2	N	H6	120.2°	120.0°
C3	C2	N	H7	120.3°	120.0°
C3	C2	N	C7	45.7°	61.7°
C3	C2	N	H1	166.9°	174.1°
C3	C2	H6	H7	119.3°	119.9°
C2	C3	C4	H9	58.3°	62.2°
C2	C3	O3	H16	56.7°	60.2°
C4	C5	C6	C7	118.1°	119.8°
C4	C5	C6	H10	120.5°	120.0°
C4	C5	C7	H10	117.9°	120.0°
C4	C5	C6	O61	91.6°	120.0°
C4	C5	C7	N	63.2°	59.2°
C4	C5	C6	O62	87.5°	60.0°
C4	C5	C7	C8	173.3°	179.2°
C5	C4	C3	H8	61.8°	62.2°
C4	C5	C7	H11	53.5°	60.8°
C5	C4	O4	H17	57.2°	179.6°
C2	N	C7	C5	55.7°	61.7°
C2	N	C7	H1	121.3°	124.2°
C2	N	C7	C8	176.8°	178.2°
N	C2	H6	H7	119.3°	120.0°
N	C2	C3	H8	74.1°	60.8°
C2	N	C7	H11	60.4°	58.3°
C6	C5	C7	H10	121.6°	120.1°
C5	C6	O61	O62	179.1°	180.0°
C6	C5	C7	N	176.3°	179.1°
C6	C5	C7	C8	52.8°	60.9°
C6	C5	C4	H9	71.3°	57.8°
C6	C5	C7	H11	67.0°	59.1°
C5	C6	O62	H18	179.1°	180.0°
C7	C5	C6	O61	150.4°	0.2°
C5	C7	N	C8	127.6°	120.1°
C5	C7	N	H11	116.1°	120.1°
C7	C5	C6	O62	30.5°	179.8°
C5	C7	C8	H11	119.7°	120.0°
C5	C7	C8	C9	178.7°	175.0°
C5	C7	N	H1	176.9°	174.1°
C7	C5	C4	H9	50.2°	62.2°
C5	C7	C8	H12	58.6°	65.0°
C5	C7	C8	H13	61.2°	54.9°
O61	C6	C5	H10	29.0°	120.0°
O61	C6	O62	H18	0.0°	0.0°
N	C7	C8	H11	117.0°	119.9°
N	C7	C8	C9	55.4°	64.9°
C7	N	C2	H6	74.5°	178.3°
C7	N	C2	H7	165.9°	58.3°
N	C7	C5	H10	54.7°	60.8°
N	C7	C8	H12	64.7°	55.1°
N	C7	C8	H13	175.5°	175.0°
O62	C6	C5	H10	151.9°	60.0°
C7	C8	C9	H12	120.1°	120.0°
C7	C8	C9	H13	120.1°	120.1°
C7	C8	C9	C10	173.1°	180.0°
C8	C7	N	H1	55.5°	54.1°
C8	C7	C5	H10	68.8°	59.3°
C7	C8	H12	H13	119.6°	120.0°
C7	C8	C9	H14	52.7°	59.9°
C7	C8	C9	H15	66.6°	60.0°
C8	C9	C10	H14	120.4°	120.1°
C8	C9	C10	H15	120.4°	119.9°
C8	C9	C10	H3	180.0°	60.0°
C8	C9	C10	H4	60.0°	180.0°
C8	C9	C10	H5	60.0°	60.1°
C9	C8	C7	H11	61.6°	55.0°
C9	C8	H12	H13	119.6°	120.0°
C8	C9	H14	H15	118.8°	119.9°
C9	C10	H3	H4	120.0°	120.1°
C9	C10	H3	H5	120.0°	120.0°
C9	C10	H4	H5	120.0°	120.0°
C10	C9	C8	H12	66.8°	60.0°
C10	C9	C8	H13	52.9°	59.9°
C10	C9	H14	H15	118.8°	120.0°
H1	N	C2	H6	46.7°	54.1°
H1	N	C2	H7	72.8°	65.9°
H1	N	C7	H11	60.9°	65.8°
H3	C10	H4	H5	120.0°	120.0°
H3	C10	C9	H14	59.6°	180.0°
H3	C10	C9	H15	59.7°	60.0°
H4	C10	C9	H14	179.6°	59.9°
H4	C10	C9	H15	60.3°	60.0°
H5	C10	C9	H14	60.4°	60.0°
H5	C10	C9	H15	179.6°	180.0°
H6	C2	C3	H8	165.7°	59.3°
H7	C2	C3	H8	46.1°	179.2°
H8	C3	C4	H9	177.5°	177.9°
H8	C3	O3	H16	61.4°	59.9°
H9	C4	C5	H10	168.1°	177.8°
H9	C4	O4	H17	61.7°	60.2°
H10	C5	C7	H11	171.4°	179.2°
H11	C7	C8	H12	178.3°	175.0°
H11	C7	C8	H13	58.6°	65.1°
H12	C8	C9	H14	172.8°	60.1°
H12	C8	C9	H15	53.6°	180.0°
H13	C8	C9	H14	67.4°	180.0°
H13	C8	C9	H15	173.3°	60.1°

Release date:	2020-06-10
Definition date:	2019-05-09
Last modified:	2020-06-05
Release status:	REL
Processing site:	PDBJ
Derived from:	6JZ6