YHO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C3	sing	1.43Å	1.45Å
O3	HO3	sing	0.97Å	0.95Å
C4	C3	sing	1.54Å	1.54Å
C3	C2	sing	1.54Å	1.54Å
C3	H3	sing	1.09Å	1.10Å
C1	C2	sing	1.54Å	1.55Å
C2	O2	sing	1.43Å	1.44Å
C2	H2	sing	1.09Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å
C5	C1	sing	1.55Å	1.53Å
C1	N1	sing	1.47Å	1.47Å
C1	H1	sing	1.09Å	1.10Å
N1	HN1	sing	1.01Å	1.00Å
N1	HN1A	sing	1.01Å	1.00Å
C4	C5	sing	1.55Å	1.53Å
C5	H5	sing	1.09Å	1.10Å
C5	H5A	sing	1.09Å	1.10Å
O4	C4	sing	1.43Å	1.43Å
C4	H4	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	O3	HO3	109.5°	114.0°
O3	C3	C4	114.0°	110.0°
O3	C3	C2	110.5°	110.0°
O3	C3	H3	103.6°	110.0°
C4	C3	C2	102.1°	106.6°
C4	C3	H3	111.8°	110.1°
C3	C4	C5	102.1°	104.2°
C3	C4	O4	112.3°	110.5°
C3	C4	H4	113.8°	110.5°
C2	C3	H3	115.2°	110.0°
C3	C2	C1	105.9°	106.6°
C3	C2	O2	111.5°	110.0°
C3	C2	H2	111.2°	110.0°
C1	C2	O2	111.5°	110.0°
C1	C2	H2	111.2°	110.1°
C2	C1	C5	105.2°	104.3°
C2	C1	N1	108.6°	110.5°
C2	C1	H1	114.0°	110.5°
O2	C2	H2	105.6°	110.0°
C2	O2	HO2	109.5°	114.0°
C5	C1	N1	112.7°	110.5°
C5	C1	H1	110.0°	110.6°
C1	C5	C4	100.3°	102.7°
C1	C5	H5	112.6°	110.7°
C1	C5	H5A	114.6°	110.8°
N1	C1	H1	106.7°	110.4°
C1	N1	HN1	109.5°	111.0°
C1	N1	HN1A	109.5°	111.0°
HN1	N1	HN1A	109.5°	111.0°
C4	C5	H5	112.7°	110.7°
C4	C5	H5A	114.5°	110.9°
C5	C4	O4	113.2°	110.5°
C5	C4	H4	113.0°	110.5°
H5	C5	H5A	102.7°	110.7°
O4	C4	H4	102.9°	110.6°
C4	O4	HO4	109.5°	113.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C3	C4	C2	119.2°	119.3°
O3	C3	C4	H3	117.1°	121.4°
O3	C3	C2	H3	117.0°	121.4°
O3	C3	C2	C1	101.2°	119.3°
O3	C3	C2	O2	20.2°	0.0°
O3	C3	C2	H2	137.9°	121.4°
O3	C3	C4	C5	75.8°	95.7°
O3	C3	C4	O4	45.7°	23.0°
O3	C3	C4	H4	162.1°	145.7°
HO3	O3	C3	C4	61.2°	62.8°
HO3	O3	C3	C2	175.5°	180.0°
HO3	O3	C3	H3	60.6°	58.6°
C4	C3	C2	H3	121.4°	119.3°
C4	C3	C2	C1	20.4°	0.0°
C4	C3	C2	O2	141.9°	119.3°
C4	C3	C2	H2	100.5°	119.3°
C3	C4	C5	C1	49.3°	37.9°
C3	C4	C5	O4	120.9°	118.6°
C3	C4	C5	H4	122.6°	118.7°
C3	C4	C5	H5	70.7°	80.4°
C3	C4	C5	H5A	172.5°	156.3°
C3	C4	O4	H4	122.8°	122.6°
C3	C4	O4	HO4	99.1°	180.0°
C3	C2	C1	O2	121.4°	119.3°
C3	C2	C1	H2	121.0°	119.3°
C3	C2	O2	H2	120.9°	121.4°
C3	C2	O2	HO2	38.3°	61.5°
C3	C2	C1	C5	9.6°	23.6°
C3	C2	C1	N1	130.4°	142.3°
C3	C2	C1	H1	110.9°	95.2°
C2	C3	C4	C5	43.3°	23.6°
C2	C3	C4	O4	164.9°	142.3°
C2	C3	C4	H4	78.7°	95.0°
H3	C3	C2	C1	141.8°	119.3°
H3	C3	C2	O2	96.7°	121.4°
H3	C3	C2	H2	20.9°	0.0°
H3	C3	C4	C5	167.0°	142.9°
H3	C3	C4	O4	71.4°	98.4°
H3	C3	C4	H4	45.0°	24.3°
C1	C2	O2	H2	120.9°	121.5°
C1	C2	O2	HO2	79.8°	178.6°
C2	C1	C5	N1	118.1°	118.7°
C2	C1	C5	H1	123.1°	118.8°
C2	C1	N1	H1	123.2°	122.5°
C2	C1	N1	HN1	100.5°	180.0°
C2	C1	N1	HN1A	19.5°	56.1°
C2	C1	C5	C4	35.9°	37.9°
C2	C1	C5	H5	84.1°	80.4°
C2	C1	C5	H5A	159.0°	156.4°
O2	C2	C1	C5	111.8°	95.7°
O2	C2	C1	N1	9.0°	23.1°
O2	C2	C1	H1	127.7°	145.5°
H2	C2	O2	HO2	159.3°	59.9°
H2	C2	C1	C5	130.6°	142.9°
H2	C2	C1	N1	108.6°	98.4°
H2	C2	C1	H1	10.1°	24.0°
C5	C1	N1	H1	120.7°	122.6°
C5	C1	N1	HN1	15.5°	65.1°
C5	C1	N1	HN1A	135.5°	58.8°
C1	C5	C4	H5	120.0°	118.3°
C1	C5	C4	H5A	123.2°	118.4°
C1	C5	H5	H5A	123.7°	123.3°
C1	C5	C4	O4	170.2°	156.6°
C1	C5	C4	H4	73.3°	80.7°
C1	N1	HN1	HN1A	120.0°	123.9°
N1	C1	C5	C4	154.0°	156.6°
N1	C1	C5	H5	34.0°	38.4°
N1	C1	C5	H5A	82.9°	84.9°
H1	C1	N1	HN1	136.2°	57.5°
H1	C1	N1	HN1A	103.8°	178.6°
H1	C1	C5	C4	87.2°	80.8°
H1	C1	C5	H5	152.8°	160.9°
H1	C1	C5	H5A	35.9°	37.7°
C4	C5	H5	H5A	123.7°	123.4°
C5	C4	O4	H4	122.2°	122.6°
C5	C4	O4	HO4	145.9°	65.2°
H5	C5	C4	O4	50.3°	38.3°
H5	C5	C4	H4	166.7°	161.0°
H5A	C5	C4	O4	66.6°	85.0°
H5A	C5	C4	H4	49.8°	37.7°
H4	C4	O4	HO4	23.7°	57.4°

Definition date:	2008-07-25
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3DX1