YYB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O5	sing	1.43Å	1.46Å
C1	C2	sing	1.53Å	1.55Å
C1	H12	sing	1.09Å	1.10Å
C1	H11	sing	1.09Å	1.10Å
C2	C3	sing	1.53Å	1.53Å
C2	O2	sing	1.43Å	1.49Å
C2	H2	sing	1.09Å	1.10Å
C3	C4	sing	1.53Å	1.51Å
C3	O3	sing	1.43Å	1.49Å
C3	H3	sing	1.09Å	1.10Å
C3M	O3	sing	1.43Å	1.49Å
C3M	H3M1	sing	1.09Å	1.10Å
C3M	H3M3	sing	1.09Å	1.10Å
C3M	H3M2	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C4	O4	sing	1.43Å	1.41Å
C4	C5	sing	1.53Å	1.58Å
C5	C6	sing	1.53Å	1.47Å
C5	O5	sing	1.43Å	1.44Å
C5	H5	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C6	O6	sing	1.43Å	1.37Å
O1S2	H1S2	sing	0.97Å	0.95Å
O1S2	S2	sing	1.52Å	1.55Å
O1S6	H1S6	sing	0.97Å	0.95Å
O1S6	S6	sing	1.52Å	1.45Å
O2	S2	sing	1.52Å	1.56Å
O2S2	S2	doub	1.42Å	1.44Å
O2S6	S6	doub	1.42Å	1.46Å
O3S2	S2	doub	1.42Å	1.44Å
O3S6	S6	doub	1.42Å	1.46Å
O4	H4O	sing	0.97Å	0.95Å
O6	S6	sing	1.52Å	1.62Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O5	C1	C2	110.7°	109.4°
O5	C1	H12	109.2°	109.5°
O5	C1	H11	109.2°	109.5°
C1	O5	C5	113.3°	114.1°
C2	C1	H12	109.2°	109.5°
C2	C1	H11	109.2°	109.5°
C1	C2	C3	110.2°	109.2°
C1	C2	O2	110.8°	109.5°
C1	C2	H2	107.8°	109.5°
H12	C1	H11	109.5°	109.5°
C3	C2	O2	111.3°	109.5°
C3	C2	H2	108.1°	109.6°
C2	C3	C4	108.7°	109.0°
C2	C3	O3	110.6°	109.5°
C2	C3	H3	108.4°	109.5°
O2	C2	H2	108.6°	109.6°
C2	O2	S2	122.1°	114.0°
C4	C3	O3	111.4°	109.6°
C4	C3	H3	108.7°	109.5°
C3	C4	H4	108.5°	109.5°
C3	C4	O4	108.9°	109.5°
C3	C4	C5	109.5°	109.2°
O3	C3	H3	109.0°	109.7°
C3	O3	C3M	120.6°	114.0°
O3	C3M	H3M1	109.5°	109.5°
O3	C3M	H3M3	109.5°	109.5°
O3	C3M	H3M2	109.5°	109.5°
H3M1	C3M	H3M3	109.4°	109.4°
H3M1	C3M	H3M2	109.5°	109.5°
H3M3	C3M	H3M2	109.5°	109.5°
H4	C4	O4	110.0°	109.5°
H4	C4	C5	107.7°	109.5°
O4	C4	C5	112.2°	109.6°
C4	O4	H4O	109.5°	114.1°
C4	C5	C6	111.7°	109.5°
C4	C5	O5	110.0°	109.4°
C4	C5	H5	107.8°	109.5°
C6	C5	O5	108.4°	109.5°
C6	C5	H5	109.2°	109.5°
C5	C6	H62	110.5°	109.5°
C5	C6	H61	110.5°	109.5°
C5	C6	O6	105.4°	109.5°
O5	C5	H5	109.6°	109.4°
H62	C6	H61	109.5°	109.5°
H62	C6	O6	110.5°	109.4°
H61	C6	O6	110.5°	109.5°
C6	O6	S6	120.4°	114.0°
H1S2	O1S2	S2	109.5°	114.0°
O1S2	S2	O2	104.4°	107.2°
O1S2	S2	O2S2	109.1°	106.4°
O1S2	S2	O3S2	109.5°	106.4°
H1S6	O1S6	S6	109.5°	114.0°
O1S6	S6	O2S6	111.4°	106.4°
O1S6	S6	O3S6	112.2°	106.4°
O1S6	S6	O6	106.3°	107.2°
O2	S2	O2S2	110.3°	106.4°
O2	S2	O3S2	110.2°	106.4°
O2S2	S2	O3S2	113.0°	123.2°
O2S6	S6	O3S6	112.4°	123.1°
O2S6	S6	O6	108.0°	106.4°
O3S6	S6	O6	106.1°	106.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O5	C1	C2	H12	120.2°	120.0°
O5	C1	C2	H11	120.2°	120.0°
O5	C1	H12	H11	119.5°	120.1°
O5	C1	C2	C3	56.5°	57.6°
O5	C1	C2	O2	179.9°	177.5°
O5	C1	C2	H2	61.3°	62.3°
C1	O5	C5	C4	58.1°	61.1°
C1	O5	C5	C6	179.5°	178.8°
C1	O5	C5	H5	60.3°	58.9°
C2	C1	H12	H11	119.5°	120.0°
C1	C2	C3	O2	123.3°	119.9°
C1	C2	C3	H2	117.6°	119.9°
C1	C2	O2	H2	118.2°	120.2°
C1	C2	C3	C4	57.6°	57.0°
C1	C2	C3	O3	179.7°	176.9°
C1	C2	C3	H3	60.3°	62.8°
C2	C1	O5	C5	57.7°	61.1°
C1	C2	O2	S2	119.8°	95.0°
H12	C1	C2	C3	63.7°	62.3°
H12	C1	C2	O2	59.9°	57.5°
H12	C1	C2	H2	178.5°	177.7°
H12	C1	O5	C5	62.5°	58.8°
H11	C1	C2	C3	176.7°	177.6°
H11	C1	C2	O2	59.7°	62.5°
H11	C1	C2	H2	58.9°	57.6°
H11	C1	O5	C5	177.9°	178.9°
C3	C2	O2	H2	118.8°	120.2°
C2	C3	C4	O3	122.1°	119.8°
C2	C3	C4	H3	117.8°	119.8°
C2	C3	O3	H3	119.1°	120.2°
C2	C3	O3	C3M	102.1°	90.0°
C2	C3	C4	H4	59.4°	63.0°
C2	C3	C4	O4	179.1°	177.0°
C2	C3	C4	C5	57.9°	57.0°
C3	C2	O2	S2	117.3°	145.3°
O2	C2	C3	C4	179.1°	176.9°
O2	C2	C3	O3	56.4°	63.3°
O2	C2	C3	H3	63.0°	57.0°
C2	O2	S2	O1S2	117.1°	75.0°
C2	O2	S2	O2S2	0.0°	38.5°
C2	O2	S2	O3S2	125.4°	171.5°
H2	C2	C3	C4	60.0°	63.0°
H2	C2	C3	O3	62.7°	56.9°
H2	C2	C3	H3	177.9°	177.2°
H2	C2	O2	S2	1.6°	25.1°
C4	C3	O3	H3	119.9°	120.3°
C4	C3	O3	C3M	136.9°	150.4°
C3	C4	H4	O4	119.0°	120.1°
C3	C4	H4	C5	118.5°	119.7°
C3	C4	O4	C5	121.4°	119.8°
C3	C4	C5	C6	178.6°	177.6°
C3	C4	C5	O5	58.2°	57.5°
C3	C4	C5	H5	61.3°	62.4°
C3	C4	O4	H4O	180.0°	180.0°
C3	O3	C3M	H3M1	180.0°	60.0°
C3	O3	C3M	H3M3	60.0°	60.0°
C3	O3	C3M	H3M2	60.0°	180.0°
O3	C3	C4	H4	62.7°	56.9°
O3	C3	C4	O4	57.0°	63.2°
O3	C3	C4	C5	180.0°	176.8°
H3	C3	O3	C3M	17.0°	30.2°
H3	C3	C4	H4	177.2°	177.2°
H3	C3	C4	O4	63.1°	57.2°
H3	C3	C4	C5	59.9°	62.9°
O3	C3M	H3M1	H3M3	120.0°	120.0°
O3	C3M	H3M1	H3M2	120.0°	120.0°
O3	C3M	H3M3	H3M2	120.0°	120.0°
H3M1	C3M	H3M3	H3M2	120.0°	120.0°
H4	C4	O4	C5	119.8°	120.2°
H4	C4	C5	C6	60.8°	57.7°
H4	C4	C5	O5	59.6°	62.3°
H4	C4	C5	H5	179.2°	177.7°
H4	C4	O4	H4O	61.2°	59.9°
O4	C4	C5	C6	60.3°	62.4°
O4	C4	C5	O5	179.2°	177.5°
O4	C4	C5	H5	59.7°	57.6°
C4	C5	C6	O5	121.4°	120.0°
C4	C5	C6	H5	119.2°	120.1°
C4	C5	O5	H5	118.4°	120.0°
C4	C5	C6	H62	179.4°	65.0°
C4	C5	C6	H61	58.1°	55.0°
C4	C5	C6	O6	61.2°	175.0°
C5	C4	O4	H4O	58.6°	60.2°
C6	C5	O5	H5	119.1°	120.0°
C5	C6	H62	H61	121.9°	120.0°
C5	C6	H62	O6	116.2°	120.0°
C5	C6	H61	O6	116.2°	120.0°
C5	C6	O6	S6	179.4°	180.0°
O5	C5	C6	H62	59.2°	55.0°
O5	C5	C6	H61	179.5°	175.0°
O5	C5	C6	O6	60.2°	65.0°
H5	C5	C6	H62	60.2°	174.9°
H5	C5	C6	H61	61.1°	65.1°
H5	C5	C6	O6	179.6°	54.9°
H62	C6	H61	O6	121.9°	120.0°
H62	C6	O6	S6	61.3°	60.0°
H61	C6	O6	S6	60.0°	60.0°
C6	O6	S6	O1S6	120.0°	75.0°
C6	O6	S6	O2S6	0.3°	38.6°
C6	O6	S6	O3S6	120.4°	171.4°
H1S2	O1S2	S2	O2	117.9°	180.0°
H1S2	O1S2	S2	O2S2	0.0°	66.5°
H1S2	O1S2	S2	O3S2	124.2°	66.4°
O1S2	S2	O2	O2S2	117.1°	113.5°
O1S2	S2	O2	O3S2	117.5°	113.6°
O1S2	S2	O2S2	O3S2	122.1°	122.9°
H1S6	O1S6	S6	O2S6	0.0°	66.4°
H1S6	O1S6	S6	O3S6	127.0°	66.5°
H1S6	O1S6	S6	O6	117.5°	180.0°
O1S6	S6	O2S6	O3S6	126.8°	122.9°
O1S6	S6	O2S6	O6	116.4°	114.1°
O1S6	S6	O3S6	O6	115.7°	114.1°
O2	S2	O2S2	O3S2	123.8°	123.0°
O2S6	S6	O3S6	O6	117.9°	122.9°

Release date:	2020-07-29
Definition date:	2012-12-18
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	1SR5