MJO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O4	C4	sing	1.43Å	1.45Å
O3	C3	sing	1.43Å	1.46Å
C4	C3	sing	1.53Å	1.52Å
C4	C5	sing	1.53Å	1.54Å
C3	C2	sing	1.53Å	1.51Å
C6	C5	sing	1.53Å	1.51Å
C5	O5	sing	1.43Å	1.43Å
C2	O2	sing	1.43Å	1.42Å
C2	C1	sing	1.53Å	1.53Å
O5	C1	sing	1.43Å	1.42Å
C1	N1	sing	1.46Å	1.41Å
N1	C7	sing	1.35Å	1.34Å
C7	O6	doub	1.22Å	1.24Å
C7	C8	sing	1.48Å	1.48Å
C8	C13	doub	1.39Å	1.39Å	Aromatic
C8	C9	sing	1.40Å	1.39Å	Aromatic
C13	C12	sing	1.39Å	1.38Å	Aromatic
C9	C10	doub	1.38Å	1.37Å	Aromatic
C12	C14	sing	1.48Å	1.49Å
C12	C11	doub	1.39Å	1.39Å	Aromatic
C10	C11	sing	1.38Å	1.39Å	Aromatic
C20	C14	doub	1.39Å	1.38Å	Aromatic
C20	C18	sing	1.38Å	1.39Å	Aromatic
C14	C15	sing	1.39Å	1.39Å	Aromatic
C18	C17	doub	1.38Å	1.38Å	Aromatic
C15	C16	doub	1.38Å	1.39Å	Aromatic
C17	C16	sing	1.38Å	1.36Å	Aromatic
C6	H1	sing	1.09Å	1.10Å
C6	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C4	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C2	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
O2	H9	sing	0.97Å	0.95Å
O3	H10	sing	0.97Å	0.95Å
O4	H11	sing	0.97Å	0.95Å
N1	H12	sing	0.97Å	1.00Å
C9	H13	sing	1.08Å	1.08Å
C10	H14	sing	1.08Å	1.08Å
C11	H15	sing	1.08Å	1.08Å
C15	H16	sing	1.08Å	1.08Å
C16	H17	sing	1.08Å	1.08Å
C17	H18	sing	1.08Å	1.08Å
C18	H19	sing	1.08Å	1.08Å
C20	H20	sing	1.08Å	1.08Å
C13	H21	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O4	C4	C3	106.1°	109.5°
O4	C4	C5	113.3°	109.5°
O4	C4	H5	109.0°	109.6°
C4	O4	H11	109.5°	114.0°
O3	C3	C4	111.0°	109.6°
O3	C3	C2	109.1°	109.6°
O3	C3	H6	110.0°	109.5°
C3	O3	H10	109.5°	114.0°
C3	C4	C5	112.3°	109.1°
C4	C3	C2	108.1°	109.1°
C3	C4	H5	108.1°	109.5°
C4	C3	H6	109.2°	109.5°
C4	C5	C6	113.4°	109.5°
C4	C5	O5	109.4°	109.4°
C4	C5	H4	107.7°	109.5°
C5	C4	H5	107.9°	109.5°
C3	C2	O2	106.0°	109.5°
C3	C2	C1	109.5°	109.1°
C2	C3	H6	109.3°	109.6°
C3	C2	H7	108.2°	109.5°
C6	C5	O5	109.1°	109.5°
C5	C6	H1	109.5°	109.5°
C5	C6	H2	109.5°	109.5°
C5	C6	H3	109.4°	109.5°
C6	C5	H4	108.0°	109.5°
C5	O5	C1	112.5°	114.1°
O5	C5	H4	109.1°	109.5°
O2	C2	C1	115.5°	109.5°
O2	C2	H7	109.4°	109.5°
C2	O2	H9	109.5°	114.0°
C2	C1	O5	108.0°	109.4°
C2	C1	N1	112.4°	109.5°
C1	C2	H7	108.0°	109.6°
C2	C1	H8	108.4°	109.5°
O5	C1	N1	108.2°	109.5°
O5	C1	H8	109.9°	109.5°
C1	N1	C7	123.3°	120.0°
N1	C1	H8	110.0°	109.5°
C1	N1	H12	118.3°	120.0°
N1	C7	O6	121.6°	120.0°
N1	C7	C8	118.1°	120.0°
C7	N1	H12	118.4°	120.0°
O6	C7	C8	120.3°	120.0°
C7	C8	C13	120.3°	120.1°
C7	C8	C9	120.9°	120.1°
C13	C8	C9	118.7°	119.8°
C8	C13	C12	121.3°	119.7°
C8	C13	H21	119.4°	120.2°
C8	C9	C10	121.0°	120.1°
C8	C9	H13	119.5°	119.9°
C13	C12	C14	119.3°	120.0°
C13	C12	C11	119.1°	119.9°
C12	C13	H21	119.3°	120.1°
C9	C10	C11	119.4°	120.3°
C10	C9	H13	119.5°	120.0°
C9	C10	H14	120.3°	119.8°
C14	C12	C11	121.5°	120.0°
C12	C14	C20	119.6°	120.1°
C12	C14	C15	121.7°	120.1°
C12	C11	C10	120.4°	120.2°
C12	C11	H15	119.8°	119.9°
C11	C10	H14	120.3°	119.9°
C10	C11	H15	119.8°	119.9°
C14	C20	C18	121.2°	119.9°
C20	C14	C15	118.4°	119.8°
C14	C20	H20	119.4°	120.0°
C20	C18	C17	119.1°	120.1°
C20	C18	H19	120.5°	119.9°
C18	C20	H20	119.4°	120.1°
C14	C15	C16	121.1°	119.9°
C14	C15	H16	119.4°	120.1°
C18	C17	C16	120.9°	120.3°
C18	C17	H18	119.5°	119.8°
C17	C18	H19	120.5°	120.0°
C15	C16	C17	119.1°	120.1°
C16	C15	H16	119.5°	120.1°
C15	C16	H17	120.5°	119.9°
C17	C16	H17	120.4°	120.0°
C16	C17	H18	119.5°	119.9°
H1	C6	H2	109.4°	109.5°
H1	C6	H3	109.5°	109.4°
H2	C6	H3	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O4	C4	C3	O3	47.9°	57.0°
O4	C4	C3	C5	124.3°	119.9°
O4	C4	C3	H5	116.8°	120.2°
O4	C4	C5	H5	120.7°	120.2°
O4	C4	C3	C2	71.7°	62.9°
O4	C4	C5	C6	55.0°	57.7°
O4	C4	C5	O5	67.1°	62.2°
O4	C4	C5	H4	174.4°	177.8°
O4	C4	C3	H6	169.4°	177.2°
O3	C3	C4	C2	119.7°	119.9°
O3	C3	C4	H6	121.4°	120.2°
O3	C3	C4	C5	172.2°	176.9°
O3	C3	C2	H6	120.3°	120.2°
O3	C3	C2	O2	57.0°	63.2°
O3	C3	C2	C1	177.8°	176.9°
O3	C3	C4	H5	68.8°	63.2°
O3	C3	C2	H7	60.3°	56.9°
C3	C4	C5	H5	119.1°	119.9°
C4	C3	C2	H6	118.8°	119.9°
C3	C4	C5	C6	175.2°	177.6°
C3	C4	C5	O5	53.1°	57.6°
C4	C3	C2	O2	177.8°	176.9°
C4	C3	C2	C1	56.9°	57.0°
C3	C4	C5	H4	65.4°	62.3°
C4	C3	C2	H7	60.5°	63.0°
C4	C3	O3	H10	180.0°	180.0°
C3	C4	O4	H11	180.0°	180.0°
C5	C4	C3	C2	52.6°	57.0°
C4	C5	C6	O5	122.2°	119.9°
C4	C5	C6	H4	119.3°	120.1°
C4	C5	O5	H4	117.6°	120.0°
C4	C5	O5	C1	59.9°	61.2°
C4	C5	C6	H1	180.0°	59.9°
C4	C5	C6	H2	60.0°	60.1°
C4	C5	C6	H3	60.0°	179.9°
C5	C4	C3	H6	66.3°	62.9°
C5	C4	O4	H11	56.3°	60.4°
C3	C2	O2	C1	121.4°	119.7°
C3	C2	O2	H7	116.5°	120.2°
C3	C2	C1	H7	117.6°	119.9°
C3	C2	C1	O5	63.2°	57.6°
C3	C2	C1	N1	177.5°	177.6°
C2	C3	C4	H5	171.5°	176.9°
C3	C2	C1	H8	55.7°	62.4°
C3	C2	O2	H9	180.0°	180.0°
C2	C3	O3	H10	60.9°	60.4°
C6	C5	O5	H4	117.8°	120.1°
C6	C5	O5	C1	175.5°	178.8°
C5	C6	H1	H2	120.0°	120.0°
C5	C6	H1	H3	120.0°	120.0°
C5	C6	H2	H3	120.0°	120.0°
C6	C5	C4	H5	65.7°	62.5°
C5	O5	C1	C2	65.2°	61.2°
C5	O5	C1	N1	172.9°	178.8°
O5	C5	C6	H1	57.7°	60.0°
O5	C5	C6	H2	62.2°	180.0°
O5	C5	C6	H3	177.7°	60.0°
O5	C5	C4	H5	172.2°	177.5°
C5	O5	C1	H8	52.8°	58.8°
O2	C2	C1	H7	122.9°	120.2°
O2	C2	C1	O5	177.2°	177.5°
O2	C2	C1	N1	57.9°	62.5°
O2	C2	C3	H6	63.3°	57.0°
O2	C2	C1	H8	63.8°	57.5°
C2	C1	O5	N1	121.9°	120.0°
C2	C1	O5	H8	118.0°	120.0°
C2	C1	N1	H8	120.8°	120.0°
C2	C1	N1	C7	101.3°	140.0°
C1	C2	C3	H6	61.9°	62.9°
C1	C2	O2	H9	58.6°	60.3°
C2	C1	N1	H12	78.7°	40.0°
O5	C1	N1	H8	120.1°	120.1°
O5	C1	N1	C7	139.6°	100.1°
C1	O5	C5	H4	57.7°	58.8°
O5	C1	C2	H7	54.4°	62.3°
O5	C1	N1	H12	40.4°	80.0°
C1	N1	C7	H12	180.0°	179.9°
C1	N1	C7	O6	11.8°	0.0°
C1	N1	C7	C8	169.2°	180.0°
N1	C1	C2	H7	64.9°	57.7°
N1	C7	O6	C8	179.0°	180.0°
N1	C7	C8	C13	54.9°	180.0°
N1	C7	C8	C9	129.4°	0.2°
C7	N1	C1	H8	19.5°	20.0°
O6	C7	C8	C13	126.0°	0.0°
O6	C7	C8	C9	49.7°	179.8°
O6	C7	N1	H12	168.2°	179.9°
C7	C8	C13	C9	175.8°	179.7°
C7	C8	C13	C12	175.4°	179.7°
C7	C8	C9	C10	176.8°	180.0°
C8	C7	N1	H12	10.9°	0.1°
C7	C8	C9	H13	3.2°	0.0°
C7	C8	C13	H21	4.5°	0.0°
C8	C13	C12	H21	180.0°	179.7°
C13	C8	C9	C10	1.1°	0.3°
C8	C13	C12	C14	176.1°	179.7°
C8	C13	C12	C11	0.6°	0.6°
C13	C8	C9	H13	179.0°	179.7°
C9	C8	C13	C12	0.3°	0.6°
C8	C9	C10	H13	180.0°	180.0°
C8	C9	C10	C11	3.3°	0.1°
C8	C9	C10	H14	176.7°	180.0°
C9	C8	C13	H21	179.7°	179.7°
C13	C12	C14	C11	175.4°	179.7°
C13	C12	C11	C10	2.9°	0.3°
C13	C12	C14	C20	32.8°	0.0°
C13	C12	C14	C15	153.5°	179.7°
C13	C12	C11	H15	177.1°	179.7°
C9	C10	C11	C12	4.2°	0.1°
C9	C10	C11	H14	180.0°	180.0°
C9	C10	C11	H15	175.8°	180.0°
C14	C12	C11	C10	178.3°	179.9°
C12	C14	C20	C15	173.9°	179.7°
C12	C14	C20	C18	176.7°	179.8°
C12	C14	C15	C16	175.2°	180.0°
C14	C12	C11	H15	1.7°	0.0°
C12	C14	C15	H16	4.8°	0.1°
C12	C14	C20	H20	3.3°	0.1°
C14	C12	C13	H21	3.9°	0.0°
C12	C11	C10	H15	180.0°	179.9°
C11	C12	C14	C20	142.6°	179.7°
C11	C12	C14	C15	31.1°	0.0°
C12	C11	C10	H14	175.8°	180.0°
C11	C12	C13	H21	179.4°	179.7°
C11	C10	C9	H13	176.7°	180.0°
C14	C20	C18	H20	180.0°	179.7°
C14	C20	C18	C17	0.1°	0.6°
C20	C14	C15	C16	1.4°	0.3°
C20	C14	C15	H16	178.6°	179.8°
C14	C20	C18	H19	179.9°	179.7°
C18	C20	C14	C15	2.8°	0.6°
C20	C18	C17	H19	180.0°	179.7°
C20	C18	C17	C16	4.4°	0.3°
C20	C18	C17	H18	175.6°	179.8°
C14	C15	C16	H16	180.0°	179.9°
C14	C15	C16	C17	2.8°	0.1°
C14	C15	C16	H17	177.2°	180.0°
C15	C14	C20	H20	177.3°	179.7°
C18	C17	C16	C15	5.7°	0.1°
C18	C17	C16	H18	180.0°	179.9°
C18	C17	C16	H17	174.3°	180.0°
C17	C18	C20	H20	179.9°	179.7°
C15	C16	C17	H17	180.0°	179.9°
C15	C16	C17	H18	174.3°	180.0°
C17	C16	C15	H16	177.2°	180.0°
C16	C17	C18	H19	175.6°	179.9°
H1	C6	H2	H3	120.0°	119.9°
H1	C6	C5	H4	60.7°	180.0°
H2	C6	C5	H4	179.3°	60.0°
H3	C6	C5	H4	59.3°	60.0°
H4	C5	C4	H5	53.7°	57.6°
H5	C4	C3	H6	52.6°	57.0°
H5	C4	O4	H11	63.8°	59.8°
H6	C3	C2	H7	179.3°	177.1°
H6	C3	O3	H10	59.0°	59.8°
H7	C2	C1	H8	173.3°	177.6°
H7	C2	O2	H9	63.5°	59.9°
H8	C1	N1	H12	160.5°	160.0°
H13	C9	C10	H14	3.3°	0.0°
H14	C10	C11	H15	4.2°	0.0°
H16	C15	C16	H17	2.8°	0.1°
H17	C16	C17	H18	5.7°	0.1°
H18	C17	C18	H19	4.4°	0.1°
H19	C18	C20	H20	0.1°	0.0°

Release date:	2022-11-02
Definition date:	2022-07-27
Last modified:	2023-09-23
Release status:	REL
Processing site:	PDBE
Derived from:	8AIY