SSE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	sing	0.00Å	1.43Å
C1	C2	sing	0.00Å	1.51Å
C1	C5	sing	0.00Å	1.52Å
C1	H1	sing	0.00Å	1.12Å
O1	HO1	sing	0.00Å	0.95Å
C2	O2	sing	0.00Å	1.41Å
C2	C3	sing	0.00Å	1.52Å
C2	H2	sing	0.00Å	1.12Å
O2	HO2	sing	0.00Å	0.95Å
C3	SE4	sing	0.00Å	1.94Å
C3	H31	sing	0.00Å	1.11Å
C3	H32	sing	0.00Å	1.11Å
SE4	C5	sing	0.00Å	1.98Å
SE4	C7	sing	0.00Å	1.95Å
C5	C6	sing	0.00Å	1.52Å
C5	H5	sing	0.00Å	1.12Å
C6	O6	sing	0.00Å	1.42Å
C6	H61	sing	0.00Å	1.12Å
C6	H62	sing	0.00Å	1.12Å
O6	HO6	sing	0.00Å	0.95Å
C7	C8	sing	0.00Å	1.53Å
C7	H71	sing	0.00Å	1.11Å
C7	H72	sing	0.00Å	1.12Å
C8	O8	sing	0.00Å	1.47Å
C8	C9	sing	0.00Å	1.50Å
C8	H8	sing	0.00Å	1.12Å
O8	HO8	sing	0.00Å	0.95Å
C9	C10	sing	0.00Å	1.51Å
C9	O9	sing	0.00Å	1.44Å
C9	H9	sing	0.00Å	1.12Å
C10	O10	sing	0.00Å	1.41Å
C10	H101	sing	0.00Å	1.11Å
C10	H102	sing	0.00Å	1.12Å
O10	H10	sing	0.00Å	0.95Å
O9	S9	sing	0.00Å	1.49Å
S9	O11	sing	0.00Å	1.47Å
S9	O12	sing	0.00Å	1.45Å
S9	O13	sing	0.00Å	1.45Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	113.1°	90.0°
O1	C1	C5	104.4°	90.0°
O1	C1	H1	108.7°	90.0°
C1	O1	HO1	113.1°	90.0°
C2	C1	C5	103.5°	90.0°
C2	C1	H1	109.6°	90.0°
C1	C2	O2	105.5°	90.0°
C1	C2	C3	115.6°	90.0°
C1	C2	H2	111.3°	90.0°
C5	C1	H1	117.6°	90.0°
C1	C5	SE4	100.3°	90.0°
C1	C5	C6	112.3°	90.0°
C1	C5	H5	116.6°	90.0°
O2	C2	C3	117.4°	90.0°
O2	C2	H2	109.3°	90.0°
C2	O2	HO2	105.5°	90.0°
C3	C2	H2	97.5°	90.0°
C2	C3	SE4	103.8°	90.0°
C2	C3	H31	114.4°	90.0°
C2	C3	H32	114.4°	90.0°
SE4	C3	H31	114.4°	90.0°
SE4	C3	H32	114.4°	90.0°
C3	SE4	C5	84.0°	90.0°
C3	SE4	C7	99.6°	90.0°
H31	C3	H32	96.1°	90.0°
C5	SE4	C7	99.4°	90.0°
SE4	C5	C6	117.0°	90.0°
SE4	C5	H5	111.8°	90.0°
SE4	C7	C8	100.7°	90.0°
SE4	C7	H71	115.6°	90.0°
SE4	C7	H72	115.6°	90.0°
C6	C5	H5	99.8°	90.0°
C5	C6	O6	121.0°	90.0°
C5	C6	H61	108.1°	90.0°
C5	C6	H62	108.1°	90.0°
O6	C6	H61	108.1°	90.0°
O6	C6	H62	108.1°	90.0°
C6	O6	HO6	121.0°	90.0°
H61	C6	H62	101.8°	90.0°
C8	C7	H71	115.6°	90.0°
C8	C7	H72	115.6°	90.0°
C7	C8	O8	121.7°	90.0°
C7	C8	C9	104.8°	90.0°
C7	C8	H8	105.3°	90.0°
H71	C7	H72	94.8°	90.0°
O8	C8	C9	111.9°	90.0°
O8	C8	H8	97.0°	90.0°
C8	O8	HO8	121.7°	90.0°
C9	C8	H8	116.6°	90.0°
C8	C9	C10	121.5°	90.0°
C8	C9	O9	113.4°	90.0°
C8	C9	H9	120.9°	90.0°
C10	C9	O9	124.7°	90.0°
C10	C9	H9	55.0°	90.0°
C9	C10	O10	96.7°	90.0°
C9	C10	H101	117.2°	90.0°
C9	C10	H102	117.2°	90.0°
O9	C9	H9	102.5°	90.0°
C9	O9	S9	131.1°	90.0°
O10	C10	H101	117.2°	90.0°
O10	C10	H102	117.2°	90.0°
C10	O10	H10	96.7°	90.0°
H101	C10	H102	93.2°	90.0°
O9	S9	O11	111.4°	90.0°
O9	S9	O12	105.6°	90.0°
O9	S9	O13	103.0°	90.0°
O11	S9	O12	112.0°	90.0°
O11	S9	O13	110.5°	90.0°
O12	S9	O13	113.8°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	C5	112.4°	90.0°
O1	C1	C2	H1	121.4°	90.0°
O1	C1	C5	H1	120.6°	90.0°
O1	C1	C2	O2	87.5°	90.0°
O1	C1	C2	C3	140.9°	90.0°
O1	C1	C2	H2	30.9°	90.0°
O1	C1	C5	SE4	171.5°	90.0°
O1	C1	C5	C6	63.6°	90.0°
O1	C1	C5	H5	50.6°	90.0°
C2	C1	C5	H1	120.9°	90.0°
C2	C1	O1	HO1	180.0°	90.0°
C1	C2	O2	C3	130.5°	90.0°
C1	C2	O2	H2	119.8°	90.0°
C1	C2	C3	H2	118.0°	90.0°
C1	C2	O2	HO2	180.0°	90.0°
C1	C2	C3	SE4	11.1°	90.0°
C1	C2	C3	H31	114.2°	90.0°
C1	C2	C3	H32	136.4°	90.0°
C2	C1	C5	SE4	53.0°	90.0°
C2	C1	C5	C6	177.9°	90.0°
C2	C1	C5	H5	67.9°	90.0°
C5	C1	O1	HO1	68.2°	90.0°
C5	C1	C2	O2	160.1°	90.0°
C5	C1	C2	C3	28.6°	90.0°
C5	C1	C2	H2	81.5°	90.0°
C1	C5	SE4	C3	51.7°	90.0°
C1	C5	SE4	C6	121.7°	90.0°
C1	C5	SE4	H5	124.2°	90.0°
C1	C5	SE4	C7	150.5°	90.0°
C1	C5	C6	H5	124.1°	90.0°
C1	C5	C6	O6	177.4°	90.0°
C1	C5	C6	H61	52.1°	90.0°
C1	C5	C6	H62	57.3°	90.0°
H1	C1	O1	HO1	58.1°	90.0°
H1	C1	C2	O2	33.9°	90.0°
H1	C1	C2	C3	97.6°	90.0°
H1	C1	C2	H2	152.3°	90.0°
H1	C1	C5	SE4	68.0°	90.0°
H1	C1	C5	C6	57.0°	90.0°
H1	C1	C5	H5	171.1°	90.0°
O2	C2	C3	H2	116.3°	90.0°
O2	C2	C3	SE4	114.6°	90.0°
O2	C2	C3	H31	120.2°	90.0°
O2	C2	C3	H32	10.7°	90.0°
C3	C2	O2	HO2	49.5°	90.0°
C2	C3	SE4	H31	125.3°	90.0°
C2	C3	SE4	H32	125.3°	90.0°
C2	C3	H31	H32	120.3°	90.0°
C2	C3	SE4	C5	34.9°	90.0°
C2	C3	SE4	C7	133.5°	90.0°
H2	C2	O2	HO2	60.2°	90.0°
H2	C2	C3	SE4	129.1°	90.0°
H2	C2	C3	H31	3.9°	90.0°
H2	C2	C3	H32	105.6°	90.0°
SE4	C3	H31	H32	120.3°	90.0°
C3	SE4	C5	C7	98.8°	90.0°
C3	SE4	C5	C6	173.4°	90.0°
C3	SE4	C5	H5	72.5°	90.0°
C3	SE4	C7	C8	177.8°	90.0°
C3	SE4	C7	H71	56.9°	90.0°
C3	SE4	C7	H72	52.6°	90.0°
H31	C3	SE4	C5	90.4°	90.0°
H31	C3	SE4	C7	8.2°	90.0°
H32	C3	SE4	C5	160.2°	90.0°
H32	C3	SE4	C7	101.3°	90.0°
SE4	C5	C6	H5	120.7°	90.0°
SE4	C5	C6	O6	62.2°	90.0°
SE4	C5	C6	H61	63.0°	90.0°
SE4	C5	C6	H62	172.5°	90.0°
C5	SE4	C7	C8	96.7°	90.0°
C5	SE4	C7	H71	28.6°	90.0°
C5	SE4	C7	H72	138.0°	90.0°
C7	SE4	C5	C6	87.8°	90.0°
C7	SE4	C5	H5	26.3°	90.0°
SE4	C7	C8	H71	125.3°	90.0°
SE4	C7	C8	H72	125.3°	90.0°
SE4	C7	H71	H72	121.4°	90.0°
SE4	C7	C8	O8	52.4°	90.0°
SE4	C7	C8	C9	179.5°	90.0°
SE4	C7	C8	H8	56.1°	90.0°
C5	C6	O6	H61	125.3°	90.0°
C5	C6	O6	H62	125.3°	90.0°
C5	C6	H61	H62	113.7°	90.0°
C5	C6	O6	HO6	180.0°	90.0°
H5	C5	C6	O6	58.5°	90.0°
H5	C5	C6	H61	176.2°	90.0°
H5	C5	C6	H62	66.8°	90.0°
O6	C6	H61	H62	113.7°	90.0°
H61	C6	O6	HO6	54.7°	90.0°
H62	C6	O6	HO6	54.7°	90.0°
C8	C7	H71	H72	121.4°	90.0°
C7	C8	O8	C9	124.9°	90.0°
C7	C8	O8	H8	112.8°	90.0°
C7	C8	C9	H8	115.9°	90.0°
C7	C8	O8	HO8	180.0°	90.0°
C7	C8	C9	C10	122.0°	90.0°
C7	C8	C9	O9	50.3°	90.0°
C7	C8	C9	H9	172.7°	90.0°
H71	C7	C8	O8	177.7°	90.0°
H71	C7	C8	C9	54.2°	90.0°
H71	C7	C8	H8	69.2°	90.0°
H72	C7	C8	O8	72.8°	90.0°
H72	C7	C8	C9	55.2°	90.0°
H72	C7	C8	H8	178.7°	90.0°
O8	C8	C9	H8	110.3°	90.0°
O8	C8	C9	C10	11.8°	90.0°
O8	C8	C9	O9	175.9°	90.0°
O8	C8	C9	H9	53.5°	90.0°
C9	C8	O8	HO8	55.1°	90.0°
C8	C9	C10	O9	171.4°	90.0°
C8	C9	C10	H9	107.9°	90.0°
C8	C9	O9	H9	132.1°	90.0°
C8	C9	C10	O10	129.6°	90.0°
C8	C9	C10	H101	105.1°	90.0°
C8	C9	C10	H102	4.4°	90.0°
C8	C9	O9	S9	147.8°	90.0°
H8	C8	O8	HO8	67.2°	90.0°
H8	C8	C9	C10	122.1°	90.0°
H8	C8	C9	O9	65.6°	90.0°
H8	C8	C9	H9	56.8°	90.0°
C10	C9	O9	H9	55.9°	90.0°
C9	C10	O10	H101	125.3°	90.0°
C9	C10	O10	H102	125.2°	90.0°
C9	C10	H101	H102	122.8°	90.0°
C9	C10	O10	H10	180.0°	90.0°
C10	C9	O9	S9	24.2°	90.0°
O9	C9	C10	O10	59.0°	90.0°
O9	C9	C10	H101	66.3°	90.0°
O9	C9	C10	H102	175.8°	90.0°
C9	O9	S9	O11	16.9°	90.0°
C9	O9	S9	O12	138.7°	90.0°
C9	O9	S9	O13	101.6°	90.0°
H9	C9	C10	O10	21.7°	90.0°
H9	C9	C10	H101	147.0°	90.0°
H9	C9	C10	H102	103.5°	90.0°
H9	C9	O9	S9	80.2°	90.0°
O10	C10	H101	H102	122.9°	90.0°
H101	C10	O10	H10	54.7°	90.0°
H102	C10	O10	H10	54.8°	90.0°
O9	S9	O11	O12	118.0°	90.0°
O9	S9	O11	O13	113.9°	90.0°
O9	S9	O12	O13	112.2°	90.0°
O11	S9	O12	O13	126.3°	90.0°

Definition date:	2004-06-22
Last modified:	2020-05-27
Release status:	REL
Processing site:	RCSB
Derived from:	1TQV