DT3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C3	sing	1.53Å	1.56Å
C2	O3	sing	1.43Å	1.45Å
C2	C1	sing	1.53Å	1.55Å
C2	H2	sing	1.09Å	1.11Å
O2	C3	sing	1.43Å	1.46Å
O2	HO2	sing	0.97Å	0.95Å
C3	C4	sing	1.53Å	1.53Å
C3	H3	sing	1.09Å	1.12Å
O3	HO3	sing	0.97Å	0.95Å
C4	S2	sing	1.81Å	1.79Å
C4	H41	sing	1.09Å	1.11Å
C4	H42	sing	1.09Å	1.12Å
S2	O4	doub	1.45Å	1.59Å
S2	O5	sing	1.45Å	1.65Å
S2	O6	doub	1.45Å	1.59Å
C1	S1	sing	1.81Å	1.75Å
C1	H11	sing	1.09Å	1.11Å
C1	H12	sing	1.09Å	1.12Å
S1	HS1	sing	1.34Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C2	O3	108.0°	109.4°
C3	C2	C1	115.0°	109.5°
C3	C2	H2	106.3°	109.5°
C2	C3	O2	108.8°	109.5°
C2	C3	C4	110.2°	109.4°
C2	C3	H3	109.3°	109.4°
O3	C2	C1	108.1°	109.5°
O3	C2	H2	113.4°	109.5°
C2	O3	HO3	108.0°	106.8°
C1	C2	H2	106.2°	109.5°
C2	C1	S1	107.6°	109.5°
C2	C1	H11	112.9°	109.4°
C2	C1	H12	112.9°	109.5°
C3	O2	HO2	108.8°	106.8°
O2	C3	C4	109.3°	109.5°
O2	C3	H3	110.2°	109.5°
C4	C3	H3	108.9°	109.5°
C3	C4	S2	111.9°	109.5°
C3	C4	H41	111.3°	109.5°
C3	C4	H42	111.3°	109.5°
S2	C4	H41	111.3°	109.5°
S2	C4	H42	111.3°	109.4°
C4	S2	O4	105.7°	109.3°
C4	S2	O5	108.7°	109.3°
C4	S2	O6	108.0°	109.3°
H41	C4	H42	99.1°	109.5°
O4	S2	O5	111.4°	109.6°
O4	S2	O6	111.8°	109.7°
O5	S2	O6	110.9°	109.6°
S1	C1	H11	112.9°	109.5°
S1	C1	H12	112.9°	109.5°
C1	S1	HS1	107.6°	100.0°
H11	C1	H12	97.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C2	O3	C1	125.0°	120.0°
C3	C2	O3	H2	117.5°	120.0°
C3	C2	C1	H2	117.2°	120.0°
C2	C3	O2	C4	120.4°	120.0°
C2	C3	O2	H3	119.9°	120.0°
C2	C3	O2	HO2	180.0°	60.0°
C2	C3	C4	H3	119.9°	119.9°
C3	C2	O3	HO3	180.0°	60.0°
C2	C3	C4	S2	168.7°	175.0°
C2	C3	C4	H41	66.1°	55.0°
C2	C3	C4	H42	43.4°	65.1°
C3	C2	C1	S1	178.9°	175.0°
C3	C2	C1	H11	55.8°	55.0°
C3	C2	C1	H12	53.7°	65.0°
O3	C2	C1	H2	122.0°	120.0°
O3	C2	C3	O2	69.7°	65.0°
O3	C2	C3	C4	50.1°	55.0°
O3	C2	C3	H3	169.8°	175.0°
O3	C2	C1	S1	60.3°	65.0°
O3	C2	C1	H11	65.0°	175.0°
O3	C2	C1	H12	174.4°	55.0°
C1	C2	C3	O2	51.1°	55.0°
C1	C2	C3	C4	170.9°	175.0°
C1	C2	C3	H3	69.4°	65.0°
C1	C2	O3	HO3	55.0°	60.0°
C2	C1	S1	H11	125.3°	120.0°
C2	C1	S1	H12	125.3°	120.0°
C2	C1	H11	H12	118.8°	120.0°
C2	C1	S1	HS1	180.0°	180.0°
H2	C2	C3	O2	168.3°	175.0°
H2	C2	C3	C4	71.9°	65.0°
H2	C2	C3	H3	47.8°	55.0°
H2	C2	O3	HO3	62.5°	180.0°
H2	C2	C1	S1	61.7°	55.0°
H2	C2	C1	H11	173.0°	65.0°
H2	C2	C1	H12	63.6°	175.0°
O2	C3	C4	H3	120.5°	120.0°
O2	C3	C4	S2	71.8°	65.0°
O2	C3	C4	H41	53.5°	175.0°
O2	C3	C4	H42	163.0°	54.9°
HO2	O2	C3	C4	59.6°	60.0°
HO2	O2	C3	H3	60.1°	180.0°
C3	C4	S2	H41	125.3°	120.1°
C3	C4	S2	H42	125.3°	119.9°
C3	C4	H41	H42	117.2°	120.0°
C3	C4	S2	O4	180.0°	60.0°
C3	C4	S2	O5	60.3°	60.0°
C3	C4	S2	O6	60.1°	179.9°
H3	C3	C4	S2	48.7°	55.0°
H3	C3	C4	H41	174.0°	65.0°
H3	C3	C4	H42	76.5°	175.0°
S2	C4	H41	H42	117.2°	119.9°
C4	S2	O4	O5	117.9°	119.8°
C4	S2	O4	O6	117.3°	119.8°
C4	S2	O5	O6	118.6°	119.8°
H41	C4	S2	O4	54.8°	60.1°
H41	C4	S2	O5	64.9°	180.0°
H41	C4	S2	O6	174.6°	60.0°
H42	C4	S2	O4	54.7°	179.9°
H42	C4	S2	O5	174.4°	60.0°
H42	C4	S2	O6	65.1°	60.0°
O4	S2	O5	O6	125.2°	120.4°
S1	C1	H11	H12	118.8°	120.0°
H11	C1	S1	HS1	54.7°	60.0°
H12	C1	S1	HS1	54.7°	60.0°

Definition date:	2005-01-26
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1YLH