ARI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	sing	1.43Å	1.46Å
O1	HO1	sing	0.97Å	0.95Å
C1	C2	sing	1.53Å	1.54Å
C1	O5	sing	1.43Å	1.43Å
C1	H1	sing	1.09Å	1.12Å
C2	C3	sing	1.53Å	1.54Å
C2	H2	sing	1.09Å	1.12Å
C2	H22	sing	1.09Å	1.11Å
C3	C4	sing	1.53Å	1.54Å
C3	H3	sing	1.09Å	1.12Å
C3	H32	sing	1.09Å	1.11Å
C4	O4	sing	1.45Å	1.47Å
C4	C5	sing	1.53Å	1.56Å
C4	H4	sing	1.09Å	1.12Å
O4	CO4	sing	1.34Å	1.39Å
CME	CO4	sing	1.51Å	1.59Å
CME	H41	sing	1.09Å	1.11Å
CME	H42	sing	1.09Å	1.12Å
CME	H43	sing	1.09Å	1.11Å
CO4	OC4	doub	1.21Å	1.21Å
C5	O5	sing	1.43Å	1.43Å
C5	C6	sing	1.53Å	1.55Å
C5	H5	sing	1.09Å	1.12Å
C6	H61	sing	1.09Å	1.12Å
C6	H62	sing	1.09Å	1.11Å
C6	H63	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	O1	HO1	115.6°	106.8°
O1	C1	C2	115.6°	109.4°
O1	C1	O5	113.0°	109.5°
O1	C1	H1	101.6°	109.4°
C2	C1	O5	107.1°	109.8°
C2	C1	H1	108.2°	109.4°
C1	C2	C3	115.7°	109.0°
C1	C2	H2	109.9°	109.6°
C1	C2	H22	109.9°	109.6°
O5	C1	H1	111.1°	109.4°
C1	O5	C5	115.6°	107.7°
C3	C2	H2	109.9°	109.6°
C3	C2	H22	109.9°	109.5°
C2	C3	C4	110.3°	108.6°
C2	C3	H3	111.9°	109.6°
C2	C3	H32	111.9°	109.6°
H2	C2	H22	100.3°	109.6°
C4	C3	H3	111.9°	109.7°
C4	C3	H32	111.9°	109.6°
C3	C4	O4	103.6°	109.6°
C3	C4	C5	110.8°	109.1°
C3	C4	H4	115.4°	109.5°
H3	C3	H32	98.5°	109.7°
O4	C4	C5	116.9°	109.7°
O4	C4	H4	109.1°	109.5°
C4	O4	CO4	124.0°	120.1°
C5	C4	H4	101.5°	109.4°
C4	C5	O5	110.6°	109.7°
C4	C5	C6	109.5°	109.5°
C4	C5	H5	108.2°	109.4°
O4	CO4	CME	120.2°	120.0°
O4	CO4	OC4	122.3°	120.0°
CO4	CME	H41	120.2°	109.5°
CO4	CME	H42	108.4°	109.5°
CO4	CME	H43	108.4°	109.5°
CME	CO4	OC4	117.5°	120.0°
H41	CME	H42	108.4°	109.5°
H41	CME	H43	108.4°	109.5°
H42	CME	H43	101.6°	109.4°
O5	C5	C6	108.0°	109.5°
O5	C5	H5	109.7°	109.4°
C6	C5	H5	110.9°	109.3°
C5	C6	H61	109.4°	109.5°
C5	C6	H62	112.2°	109.5°
C5	C6	H63	112.2°	109.4°
H61	C6	H62	112.2°	109.5°
H61	C6	H63	112.3°	109.4°
H62	C6	H63	98.2°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	O5	127.0°	120.2°
O1	C1	C2	H1	113.1°	119.8°
O1	C1	O5	H1	113.5°	119.9°
O1	C1	C2	C3	179.4°	178.6°
O1	C1	C2	H2	55.4°	58.7°
O1	C1	C2	H22	54.1°	61.5°
O1	C1	O5	C5	171.4°	172.4°
HO1	O1	C1	C2	179.9°	179.7°
HO1	O1	C1	O5	56.1°	60.0°
HO1	O1	C1	H1	63.0°	59.9°
C2	C1	O5	H1	118.0°	120.1°
C1	C2	C3	H2	125.2°	119.9°
C1	C2	C3	H22	125.3°	119.9°
C1	C2	H2	H22	115.7°	120.2°
C1	C2	C3	C4	48.2°	53.8°
C1	C2	C3	H3	77.1°	66.0°
C1	C2	C3	H32	173.5°	173.5°
C2	C1	O5	C5	60.1°	67.6°
O5	C1	C2	C3	52.4°	61.2°
O5	C1	C2	H2	177.7°	178.9°
O5	C1	C2	H22	72.9°	58.6°
C1	O5	C5	C4	62.7°	67.6°
C1	O5	C5	C6	177.5°	172.2°
C1	O5	C5	H5	56.6°	52.4°
H1	C1	C2	C3	67.5°	58.8°
H1	C1	C2	H2	57.8°	61.1°
H1	C1	C2	H22	167.2°	178.7°
H1	C1	O5	C5	57.9°	52.5°
C3	C2	H2	H22	115.8°	120.2°
C2	C3	C4	H3	125.2°	119.7°
C2	C3	C4	H32	125.3°	119.7°
C2	C3	H3	H32	117.8°	120.4°
C2	C3	C4	O4	79.9°	66.3°
C2	C3	C4	C5	46.3°	53.8°
C2	C3	C4	H4	160.9°	173.6°
H2	C2	C3	C4	173.4°	173.6°
H2	C2	C3	H3	48.2°	53.8°
H2	C2	C3	H32	61.3°	66.6°
H22	C2	C3	C4	77.1°	66.1°
H22	C2	C3	H3	157.6°	174.1°
H22	C2	C3	H32	48.2°	53.6°
C4	C3	H3	H32	117.9°	120.5°
C3	C4	O4	C5	122.2°	119.7°
C3	C4	O4	H4	123.4°	120.1°
C3	C4	C5	H4	123.1°	119.8°
C3	C4	O4	CO4	60.9°	90.0°
C3	C4	C5	O5	53.1°	61.3°
C3	C4	C5	C6	172.0°	178.5°
C3	C4	C5	H5	67.1°	58.7°
H3	C3	C4	O4	154.9°	174.0°
H3	C3	C4	C5	78.9°	65.9°
H3	C3	C4	H4	35.7°	53.8°
H32	C3	C4	O4	45.4°	53.4°
H32	C3	C4	C5	171.6°	173.5°
H32	C3	C4	H4	73.8°	66.7°
O4	C4	C5	H4	118.6°	120.2°
C4	O4	CO4	CME	121.3°	180.0°
C4	O4	CO4	OC4	59.1°	0.0°
O4	C4	C5	O5	65.3°	58.7°
O4	C4	C5	C6	53.6°	61.5°
O4	C4	C5	H5	174.6°	178.7°
C5	C4	O4	CO4	176.9°	150.3°
C4	C5	O5	C6	119.8°	120.2°
C4	C5	O5	H5	119.3°	120.0°
C4	C5	C6	H5	119.3°	119.9°
C4	C5	C6	H61	180.0°	179.9°
C4	C5	C6	H62	54.8°	59.8°
C4	C5	C6	H63	54.7°	60.2°
H4	C4	O4	CO4	62.5°	30.2°
H4	C4	C5	O5	176.2°	178.9°
H4	C4	C5	C6	64.9°	58.7°
H4	C4	C5	H5	56.0°	61.1°
O4	CO4	CME	OC4	179.6°	180.0°
O4	CO4	CME	H41	180.0°	180.0°
O4	CO4	CME	H42	54.7°	59.9°
O4	CO4	CME	H43	54.7°	60.0°
CO4	CME	H41	H42	125.2°	120.0°
CO4	CME	H41	H43	125.3°	120.1°
CO4	CME	H42	H43	114.0°	120.0°
H41	CME	H42	H43	114.0°	120.0°
H41	CME	CO4	OC4	0.4°	0.0°
H42	CME	CO4	OC4	125.7°	120.1°
H43	CME	CO4	OC4	124.9°	120.0°
O5	C5	C6	H5	120.2°	119.8°
O5	C5	C6	H61	59.5°	59.8°
O5	C5	C6	H62	175.3°	179.9°
O5	C5	C6	H63	65.8°	60.1°
C5	C6	H61	H62	125.2°	120.1°
C5	C6	H61	H63	125.3°	119.9°
C5	C6	H62	H63	118.1°	119.9°
H5	C5	C6	H61	60.7°	60.0°
H5	C5	C6	H62	64.5°	60.0°
H5	C5	C6	H63	174.0°	179.9°
H61	C6	H62	H63	118.2°	120.0°

Definition date:	1999-07-08
Last modified:	2020-07-17
Release status:	REL
Processing site:	EBI
Derived from:	1D83