SR1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CS	S	sing	1.81Å	1.80Å
CS	HS1	sing	1.09Å	1.11Å
CS	HS2	sing	1.09Å	1.12Å
CS	HS3	sing	1.09Å	1.11Å
S	C5	sing	1.81Å	1.80Å
C5	C4	sing	1.53Å	1.52Å
C5	H51	sing	1.09Å	1.12Å
C5	H52	sing	1.09Å	1.11Å
C4	O4	sing	1.43Å	1.46Å
C4	C3	sing	1.54Å	1.53Å
C4	H4	sing	1.09Å	1.11Å
O4	C1	sing	1.44Å	1.42Å
C1	O1	sing	1.43Å	1.44Å
C1	C2	sing	1.55Å	1.52Å
C1	H1	sing	1.09Å	1.11Å
O1	HO1	sing	0.97Å	0.95Å
C2	O2	sing	1.43Å	1.41Å
C2	C3	sing	1.56Å	1.53Å
C2	H2	sing	1.09Å	1.11Å
O2	HO2	sing	0.97Å	0.95Å
C3	O3	sing	1.43Å	1.43Å
C3	H3	sing	1.09Å	1.11Å
O3	HO3	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
S	CS	HS1	100.0°	109.4°
S	CS	HS2	115.8°	109.4°
S	CS	HS3	115.9°	109.5°
CS	S	C5	100.0°	100.0°
HS1	CS	HS2	115.8°	109.5°
HS1	CS	HS3	115.9°	109.5°
HS2	CS	HS3	94.6°	109.5°
S	C5	C4	112.3°	109.5°
S	C5	H51	111.2°	109.4°
S	C5	H52	111.2°	109.5°
C4	C5	H51	111.2°	109.5°
C4	C5	H52	111.2°	109.4°
C5	C4	O4	108.6°	109.8°
C5	C4	C3	115.1°	109.8°
C5	C4	H4	104.7°	109.8°
H51	C5	H52	99.1°	109.5°
O4	C4	C3	104.3°	107.7°
O4	C4	H4	115.4°	109.9°
C4	O4	C1	109.7°	109.9°
C3	C4	H4	109.0°	109.8°
C4	C3	C2	100.1°	102.1°
C4	C3	O3	109.7°	111.1°
C4	C3	H3	116.0°	110.8°
O4	C1	O1	109.4°	110.3°
O4	C1	C2	105.5°	105.2°
O4	C1	H1	112.3°	110.3°
O1	C1	C2	110.2°	110.4°
O1	C1	H1	107.9°	110.2°
C1	O1	HO1	109.4°	106.8°
C2	C1	H1	111.6°	110.3°
C1	C2	O2	110.8°	111.1°
C1	C2	C3	100.6°	101.0°
C1	C2	H2	116.2°	111.1°
O2	C2	C3	114.6°	111.1°
O2	C2	H2	102.7°	111.0°
C2	O2	HO2	110.8°	106.8°
C3	C2	H2	112.5°	111.1°
C2	C3	O3	111.8°	110.9°
C2	C3	H3	114.1°	110.8°
O3	C3	H3	105.2°	110.8°
C3	O3	HO3	109.7°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S	CS	HS1	HS2	125.2°	119.9°
S	CS	HS1	HS3	125.3°	120.0°
S	CS	HS2	HS3	121.7°	120.0°
CS	S	C5	C4	79.6°	180.0°
CS	S	C5	H51	45.7°	60.0°
CS	S	C5	H52	155.1°	60.0°
HS1	CS	HS2	HS3	121.7°	120.1°
HS1	CS	S	C5	180.0°	180.0°
HS2	CS	S	C5	54.8°	60.0°
HS3	CS	S	C5	54.7°	60.0°
S	C5	C4	H51	125.3°	120.0°
S	C5	C4	H52	125.3°	120.0°
S	C5	H51	H52	117.0°	120.0°
S	C5	C4	O4	162.8°	66.6°
S	C5	C4	C3	80.7°	175.2°
S	C5	C4	H4	39.0°	54.3°
C4	C5	H51	H52	117.1°	120.0°
C5	C4	O4	C3	123.2°	119.5°
C5	C4	O4	H4	117.2°	120.9°
C5	C4	C3	H4	117.3°	120.8°
C5	C4	O4	C1	107.7°	117.8°
C5	C4	C3	C2	82.1°	140.8°
C5	C4	C3	O3	160.2°	100.9°
C5	C4	C3	H3	41.1°	22.7°
H51	C5	C4	O4	37.6°	53.4°
H51	C5	C4	C3	154.0°	64.8°
H51	C5	C4	H4	86.3°	174.3°
H52	C5	C4	O4	71.9°	173.4°
H52	C5	C4	C3	44.6°	55.1°
H52	C5	C4	H4	164.3°	65.7°
O4	C4	C3	H4	123.9°	119.6°
C4	O4	C1	O1	105.8°	143.4°
C4	O4	C1	C2	12.7°	24.4°
C4	O4	C1	H1	134.5°	94.5°
O4	C4	C3	C2	36.7°	21.3°
O4	C4	C3	O3	81.0°	139.5°
O4	C4	C3	H3	160.0°	96.8°
C3	C4	O4	C1	15.4°	1.7°
C4	C3	C2	C1	43.2°	34.1°
C4	C3	C2	O2	162.1°	83.9°
C4	C3	C2	O3	116.2°	118.5°
C4	C3	C2	H3	124.6°	118.1°
C4	C3	C2	H2	81.1°	152.0°
C4	C3	O3	H3	125.5°	123.6°
C4	C3	O3	HO3	180.0°	174.3°
H4	C4	O4	C1	135.1°	121.3°
H4	C4	C3	C2	160.6°	98.3°
H4	C4	C3	O3	42.9°	19.9°
H4	C4	C3	H3	76.2°	143.6°
O4	C1	O1	C2	115.6°	115.8°
O4	C1	O1	H1	122.4°	122.1°
O4	C1	C2	H1	122.2°	119.0°
O4	C1	O1	HO1	180.0°	61.4°
O4	C1	C2	O2	157.1°	81.5°
O4	C1	C2	C3	35.4°	36.4°
O4	C1	C2	H2	86.3°	154.4°
O1	C1	C2	H1	119.8°	122.1°
O1	C1	C2	O2	39.1°	37.4°
O1	C1	C2	C3	82.6°	155.3°
O1	C1	C2	H2	155.7°	86.7°
C2	C1	O1	HO1	64.4°	177.2°
C1	C2	O2	C3	113.0°	111.6°
C1	C2	O2	H2	124.7°	124.2°
C1	C2	C3	H2	124.3°	118.0°
C1	C2	O2	HO2	180.0°	61.5°
C1	C2	C3	O3	72.9°	152.5°
C1	C2	C3	H3	167.8°	84.0°
H1	C1	O1	HO1	57.6°	60.6°
H1	C1	C2	O2	80.7°	159.5°
H1	C1	C2	C3	157.7°	82.6°
H1	C1	C2	H2	35.9°	35.4°
O2	C2	C3	H2	116.8°	124.1°
O2	C2	C3	O3	46.0°	34.6°
O2	C2	C3	H3	73.3°	158.0°
C3	C2	O2	HO2	67.0°	173.1°
C2	C3	O3	H3	124.4°	123.5°
C2	C3	O3	HO3	69.8°	61.5°
H2	C2	O2	HO2	55.3°	62.7°
H2	C2	C3	O3	162.8°	89.5°
H2	C2	C3	H3	43.5°	34.0°
H3	C3	O3	HO3	54.6°	62.0°

Definition date:	2005-03-31
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	1Z5N