X2Y

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O7	S1	doub	1.42Å	1.46Å
O8	S1	doub	1.42Å	1.46Å
O6	S1	sing	1.52Å	1.46Å
S1	O2	sing	1.52Å	1.66Å
O2	C2	sing	1.43Å	1.43Å
C2	C1	sing	1.53Å	1.55Å
C2	C3	sing	1.53Å	1.52Å
C1	O5	sing	1.43Å	1.41Å
O5	C5	sing	1.43Å	1.43Å
O3	C3	sing	1.43Å	1.44Å
C3	C4	sing	1.53Å	1.55Å
O4	C4	sing	1.43Å	1.43Å
O4	S2	sing	1.52Å	1.66Å
C5	C4	sing	1.53Å	1.54Å
C5	C6	sing	1.53Å	1.53Å
O9	S2	doub	1.42Å	1.46Å
O10	S2	doub	1.42Å	1.46Å
S2	O11	sing	1.52Å	1.46Å
C5	H5	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C6	H63	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C1	O1	sing	1.43Å	1.40Å
O6	H9	sing	0.97Å	0.95Å
O11	H11	sing	0.97Å	0.95Å
O1	HO1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O7	S1	O8	113.8°	123.1°
O7	S1	O6	114.2°	106.4°
O7	S1	O2	103.9°	106.4°
O8	S1	O6	114.1°	106.4°
O8	S1	O2	104.4°	106.5°
O6	S1	O2	104.9°	107.2°
S1	O6	H9	109.5°	114.0°
S1	O2	C2	119.1°	114.0°
O2	C2	C1	114.1°	109.5°
O2	C2	C3	111.3°	109.5°
O2	C2	H2	107.0°	109.5°
C1	C2	C3	112.3°	109.2°
C2	C1	O5	112.7°	109.4°
C1	C2	H2	105.6°	109.5°
C2	C1	H1	107.0°	109.5°
C2	C1	O1	108.2°	109.5°
C2	C3	O3	113.6°	109.7°
C2	C3	C4	111.5°	109.0°
C2	C3	H3	106.6°	109.5°
C3	C2	H2	106.0°	109.5°
C1	O5	C5	115.4°	114.1°
O5	C1	H1	108.7°	109.5°
O5	C1	O1	111.2°	109.5°
O5	C5	C4	109.8°	109.4°
O5	C5	C6	107.8°	109.5°
O5	C5	H5	109.5°	109.5°
O3	C3	C4	110.8°	109.5°
O3	C3	H3	107.6°	109.6°
C3	O3	HO3	109.5°	113.9°
C3	C4	O4	110.9°	109.6°
C3	C4	C5	107.7°	109.2°
C3	C4	H4	109.4°	109.5°
C4	C3	H3	106.3°	109.6°
C4	O4	S2	119.5°	114.0°
O4	C4	C5	108.4°	109.5°
O4	C4	H4	111.0°	109.5°
O4	S2	O9	103.8°	106.4°
O4	S2	O10	104.6°	106.4°
O4	S2	O11	104.9°	107.2°
C4	C5	C6	113.5°	109.5°
C4	C5	H5	108.1°	109.5°
C5	C4	H4	109.5°	109.5°
C6	C5	H5	108.2°	109.5°
C5	C6	H61	109.5°	109.5°
C5	C6	H63	109.5°	109.5°
C5	C6	H62	109.4°	109.5°
O9	S2	O10	113.7°	123.2°
O9	S2	O11	114.0°	106.4°
O10	S2	O11	114.2°	106.4°
S2	O11	H11	109.5°	114.0°
H1	C1	O1	108.9°	109.5°
H61	C6	H63	109.5°	109.4°
H61	C6	H62	109.4°	109.5°
H63	C6	H62	109.5°	109.5°
C1	O1	HO1	109.5°	114.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O7	S1	O8	O6	133.5°	122.9°
O7	S1	O8	O2	112.6°	123.0°
O7	S1	O6	O2	113.0°	113.6°
O7	S1	O2	C2	165.7°	38.5°
O7	S1	O6	H9	0.0°	66.5°
O8	S1	O6	O2	113.7°	113.6°
O8	S1	O2	C2	74.8°	171.5°
O8	S1	O6	H9	133.3°	66.4°
O6	S1	O2	C2	45.5°	75.0°
S1	O2	C2	C1	67.7°	95.0°
S1	O2	C2	C3	164.1°	145.3°
S1	O2	C2	H2	48.8°	25.2°
O2	S1	O6	H9	113.0°	180.0°
O2	C2	C1	C3	127.8°	119.9°
O2	C2	C1	H2	117.2°	120.1°
O2	C2	C3	H2	115.9°	120.1°
O2	C2	C1	O5	173.5°	177.5°
O2	C2	C3	O3	56.4°	63.2°
O2	C2	C3	C4	177.5°	176.9°
O2	C2	C3	H3	61.9°	57.1°
O2	C2	C1	H1	67.0°	62.5°
O2	C2	C1	O1	50.1°	57.6°
C1	C2	C3	H2	114.8°	119.9°
C2	C1	O5	H1	118.4°	120.0°
C2	C1	O5	O1	121.7°	120.0°
C2	C1	O5	C5	53.3°	61.1°
C1	C2	C3	O3	174.3°	176.9°
C1	C2	C3	C4	48.3°	57.0°
C1	C2	C3	H3	67.3°	62.9°
C2	C1	H1	O1	116.8°	120.1°
C2	C1	O1	HO1	180.0°	180.0°
C3	C2	C1	O5	45.7°	57.6°
C2	C3	O3	C4	126.4°	119.6°
C2	C3	O3	H3	117.7°	120.2°
C2	C3	C4	H3	115.8°	119.8°
C2	C3	C4	O4	63.3°	63.0°
C2	C3	C4	C5	55.1°	56.9°
C2	C3	C4	H4	174.0°	176.8°
C3	C2	C1	H1	165.2°	177.6°
C2	C3	O3	HO3	108.6°	60.4°
C3	C2	C1	O1	77.6°	62.4°
C1	O5	C5	C4	61.5°	61.2°
C1	O5	C5	C6	174.4°	178.9°
C1	O5	C5	H5	56.9°	58.9°
O5	C1	C2	H2	69.3°	62.3°
O5	C1	H1	O1	121.2°	120.0°
O5	C1	O1	HO1	55.7°	60.0°
O5	C5	C4	C3	60.1°	57.6°
O5	C5	C4	O4	59.9°	62.3°
O5	C5	C4	C6	120.7°	120.0°
O5	C5	C4	H5	119.3°	120.0°
O5	C5	C6	H5	118.3°	120.0°
O5	C5	C4	H4	178.9°	177.5°
C5	O5	C1	H1	171.8°	178.9°
O5	C5	C6	H61	180.0°	174.6°
O5	C5	C6	H63	60.0°	65.5°
O5	C5	C6	H62	60.0°	54.6°
C5	O5	C1	O1	68.4°	58.9°
O3	C3	C4	H3	116.6°	120.2°
O3	C3	C4	O4	64.3°	57.0°
O3	C3	C4	C5	177.3°	176.9°
O3	C3	C4	H4	58.4°	63.2°
O3	C3	C2	H2	59.5°	57.0°
C3	C4	O4	C5	118.0°	119.7°
C3	C4	O4	H4	121.8°	120.1°
C3	C4	O4	S2	109.4°	105.7°
C3	C4	C5	H4	118.9°	119.9°
C3	C4	C5	C6	179.2°	177.6°
C3	C4	C5	H5	59.3°	62.4°
C4	C3	C2	H2	66.6°	63.0°
C4	C3	O3	HO3	17.9°	180.0°
O4	C4	C5	H4	121.2°	120.2°
O4	C4	C5	C6	60.8°	57.6°
C4	O4	S2	O9	171.1°	38.4°
C4	O4	S2	O10	69.4°	171.4°
C4	O4	S2	O11	51.1°	75.1°
O4	C4	C5	H5	179.2°	177.6°
O4	C4	C3	H3	179.0°	177.2°
S2	O4	C4	C5	132.6°	134.6°
O4	S2	O9	O10	113.0°	123.0°
O4	S2	O9	O11	113.6°	114.1°
O4	S2	O10	O11	114.2°	114.1°
S2	O4	C4	H4	12.4°	14.4°
O4	S2	O11	H11	112.9°	180.0°
C4	C5	C6	H5	119.9°	120.0°
C5	C4	C3	H3	60.7°	62.8°
C4	C5	C6	H61	58.2°	54.7°
C4	C5	C6	H63	178.2°	174.6°
C4	C5	C6	H62	61.8°	65.4°
C6	C5	C4	H4	60.4°	62.5°
C5	C6	H61	H63	120.0°	120.0°
C5	C6	H61	H62	120.0°	120.0°
C5	C6	H63	H62	120.0°	120.0°
O9	S2	O10	O11	133.3°	123.0°
O9	S2	O11	H11	0.0°	66.5°
O10	S2	O11	H11	133.2°	66.5°
H5	C5	C4	H4	59.6°	57.5°
H5	C5	C6	H61	61.7°	65.4°
H5	C5	C6	H63	58.3°	54.6°
H5	C5	C6	H62	178.3°	174.6°
H4	C4	C3	H3	58.3°	57.1°
H3	C3	C2	H2	177.8°	177.2°
H3	C3	O3	HO3	133.7°	59.8°
H2	C2	C1	H1	50.2°	57.7°
H2	C2	C1	O1	167.3°	177.7°
H1	C1	O1	HO1	64.1°	59.9°
H61	C6	H63	H62	120.0°	120.0°

Release date:	2020-12-16
Definition date:	2020-11-23
Last modified:	2020-12-11
Release status:	REL
Processing site:	RCSB
Derived from:	7KS6