TUJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O42	S4	doub	1.42Å	1.47Å
O41	S4	doub	1.42Å	1.47Å
S4	O43	sing	1.52Å	1.46Å
S4	O4	sing	1.52Å	1.68Å
O6	C6	sing	1.43Å	1.40Å
C6	C5	sing	1.53Å	1.53Å
O32	S3	doub	1.42Å	1.47Å
O4	C4	sing	1.43Å	1.40Å
C4	C5	sing	1.53Å	1.52Å
C4	C3	sing	1.53Å	1.55Å
C5	O5	sing	1.43Å	1.43Å
S3	O31	doub	1.42Å	1.47Å
S3	O3	sing	1.52Å	1.67Å
S3	O33	sing	1.52Å	1.47Å
C3	O3	sing	1.43Å	1.41Å
C3	C2	sing	1.53Å	1.56Å
O5	C1	sing	1.43Å	1.42Å
O11	S1	doub	1.42Å	1.49Å
C1	C2	sing	1.53Å	1.54Å
C1	O1	sing	1.43Å	1.47Å
C2	O2	sing	1.43Å	1.39Å
S1	O1	sing	1.52Å	1.69Å
S1	O12	doub	1.42Å	1.45Å
S1	O13	sing	1.52Å	1.47Å
O2	S2	sing	1.52Å	1.66Å
O21	S2	doub	1.42Å	1.47Å
O22	S2	doub	1.42Å	1.47Å
S2	O23	sing	1.52Å	1.47Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C1	H1	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
O33	H33	sing	0.97Å	0.95Å
O23	H23	sing	0.97Å	0.95Å
O13	H13	sing	0.97Å	0.95Å
O43	H43	sing	0.97Å	0.95Å
O6	HO6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O42	S4	O41	102.5°	123.2°
O42	S4	O43	106.7°	106.4°
O42	S4	O4	115.9°	106.4°
O41	S4	O43	103.9°	106.4°
O41	S4	O4	117.6°	106.4°
O43	S4	O4	109.1°	107.2°
S4	O43	H43	109.5°	114.0°
S4	O4	C4	118.2°	114.0°
O6	C6	C5	109.8°	109.5°
O6	C6	H61	109.4°	109.4°
O6	C6	H62	109.4°	109.4°
C6	O6	HO6	109.5°	114.0°
C6	C5	C4	102.4°	109.5°
C6	C5	O5	118.2°	109.5°
C5	C6	H61	109.4°	109.5°
C5	C6	H62	109.4°	109.5°
C6	C5	H5	107.8°	109.5°
O32	S3	O31	102.2°	123.1°
O32	S3	O3	115.7°	106.4°
O32	S3	O33	105.8°	106.4°
O4	C4	C5	106.9°	109.6°
O4	C4	C3	113.4°	109.5°
O4	C4	H4	108.9°	109.6°
C5	C4	C3	112.9°	109.1°
C4	C5	O5	111.0°	109.4°
C4	C5	H5	107.9°	109.5°
C5	C4	H4	107.4°	109.5°
C4	C3	O3	105.7°	109.5°
C4	C3	C2	119.6°	109.0°
C3	C4	H4	107.1°	109.5°
C4	C3	H3	106.0°	109.5°
C5	O5	C1	115.3°	114.1°
O5	C5	H5	109.0°	109.5°
O31	S3	O3	114.0°	106.4°
O31	S3	O33	105.1°	106.4°
O3	S3	O33	112.8°	107.2°
S3	O3	C3	115.1°	114.0°
S3	O33	H33	109.5°	114.0°
O3	C3	C2	111.5°	109.6°
O3	C3	H3	107.6°	109.6°
C3	C2	C1	114.6°	109.2°
C3	C2	O2	109.5°	109.5°
C2	C3	H3	105.8°	109.6°
C3	C2	H2	106.4°	109.6°
O5	C1	C2	105.7°	109.4°
O5	C1	O1	114.7°	109.5°
O5	C1	H1	106.4°	109.5°
O11	S1	O1	109.9°	106.4°
O11	S1	O12	98.9°	123.2°
O11	S1	O13	102.4°	106.4°
C2	C1	O1	118.2°	109.5°
C1	C2	O2	110.7°	109.5°
C2	C1	H1	105.1°	109.5°
C1	C2	H2	106.7°	109.5°
C1	O1	S1	111.6°	114.0°
O1	C1	H1	105.8°	109.5°
C2	O2	S2	115.7°	114.0°
O2	C2	H2	108.6°	109.6°
O1	S1	O12	124.8°	106.4°
O1	S1	O13	113.7°	107.2°
O12	S1	O13	104.1°	106.4°
S1	O13	H13	109.5°	114.0°
O2	S2	O21	116.7°	106.4°
O2	S2	O22	111.4°	106.4°
O2	S2	O23	111.0°	107.2°
O21	S2	O22	104.1°	123.2°
O21	S2	O23	105.1°	106.4°
O22	S2	O23	108.0°	106.4°
S2	O23	H23	109.5°	114.0°
H61	C6	H62	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O42	S4	O41	O43	111.0°	122.9°
O42	S4	O41	O4	128.3°	123.0°
O42	S4	O43	O4	125.9°	113.6°
O42	S4	O4	C4	45.0°	40.5°
O42	S4	O43	H43	107.9°	66.4°
O41	S4	O43	O4	126.2°	113.5°
O41	S4	O4	C4	76.7°	173.4°
O41	S4	O43	H43	0.0°	66.5°
O43	S4	O4	C4	165.4°	73.1°
S4	O4	C4	C5	95.2°	143.4°
S4	O4	C4	C3	139.8°	96.9°
S4	O4	C4	H4	20.6°	23.3°
O4	S4	O43	H43	126.2°	180.0°
O6	C6	C5	H61	120.0°	120.0°
O6	C6	C5	H62	120.1°	119.9°
O6	C6	C5	C4	165.7°	174.8°
O6	C6	C5	O5	72.0°	65.2°
O6	C6	H61	H62	119.9°	119.9°
O6	C6	C5	H5	52.1°	54.8°
C6	C5	C4	O4	142.8°	62.5°
C6	C5	C4	O5	127.0°	120.0°
C6	C5	C4	H5	113.6°	120.0°
C6	C5	C4	C3	91.9°	177.6°
C6	C5	O5	H5	123.5°	120.0°
C6	C5	O5	C1	48.7°	178.9°
C5	C6	H61	H62	119.8°	120.1°
C6	C5	C4	H4	25.9°	57.7°
C5	C6	O6	HO6	180.0°	180.0°
O32	S3	O31	O3	125.6°	123.0°
O32	S3	O31	O33	110.3°	122.9°
O32	S3	O3	O33	122.0°	113.6°
O32	S3	O3	C3	79.3°	171.4°
O32	S3	O33	H33	107.7°	66.4°
O4	C4	C5	C3	125.4°	119.9°
O4	C4	C5	H4	116.8°	120.2°
O4	C4	C3	H4	120.2°	120.2°
O4	C4	C5	O5	90.2°	177.5°
O4	C4	C3	O3	19.6°	57.0°
O4	C4	C3	C2	107.2°	176.9°
O4	C4	C5	H5	29.2°	57.5°
O4	C4	C3	H3	133.6°	63.2°
C5	C4	C3	H4	118.0°	119.9°
C4	C5	O5	H5	118.8°	120.0°
C5	C4	C3	O3	141.4°	62.9°
C5	C4	C3	C2	14.6°	57.0°
C4	C5	O5	C1	69.1°	61.1°
C4	C5	C6	H61	74.2°	65.2°
C4	C5	C6	H62	45.7°	54.9°
C5	C4	C3	H3	104.7°	176.9°
C3	C4	C5	O5	35.2°	57.6°
C4	C3	O3	S3	103.5°	145.0°
C4	C3	O3	C2	131.5°	119.6°
C4	C3	O3	H3	112.9°	120.2°
C4	C3	C2	H3	119.4°	119.9°
C4	C3	C2	C1	18.8°	57.0°
C4	C3	C2	O2	106.3°	176.9°
C3	C4	C5	H5	154.6°	62.4°
C4	C3	C2	H2	136.5°	62.9°
C5	O5	C1	C2	70.7°	61.1°
C5	O5	C1	O1	157.3°	58.8°
O5	C5	C6	H61	48.0°	54.8°
O5	C5	C6	H62	167.9°	174.8°
C5	O5	C1	H1	40.7°	178.9°
O5	C5	C4	H4	153.0°	62.3°
O31	S3	O3	O33	119.8°	113.5°
O31	S3	O3	C3	38.8°	38.5°
O31	S3	O33	H33	0.0°	66.4°
S3	O3	C3	C2	125.0°	95.4°
S3	O3	C3	H3	9.4°	24.8°
O3	S3	O33	H33	124.8°	180.0°
O33	S3	O3	C3	158.6°	75.0°
O3	C3	C2	H3	116.7°	120.2°
O3	C3	C2	C1	142.8°	62.9°
O3	C3	C2	O2	17.7°	57.0°
O3	C3	C4	H4	100.6°	177.2°
O3	C3	C2	H2	99.5°	177.2°
C3	C2	C1	O5	42.1°	57.6°
C3	C2	C1	O2	124.5°	119.9°
C3	C2	C1	H2	117.6°	120.0°
C3	C2	C1	O1	172.2°	62.3°
C3	C2	O2	H2	115.8°	120.2°
C3	C2	O2	S2	93.5°	145.3°
C3	C2	C1	H1	70.2°	177.6°
C2	C3	C4	H4	132.6°	62.9°
O5	C1	C2	O1	130.1°	119.9°
O5	C1	C2	H1	112.3°	120.0°
O5	C1	O1	H1	116.9°	120.0°
O5	C1	C2	O2	82.3°	177.5°
O5	C1	O1	S1	109.0°	90.0°
C1	O5	C5	H5	172.2°	58.8°
O5	C1	C2	H2	159.7°	62.4°
O11	S1	O1	C1	22.3°	171.5°
O11	S1	O1	O12	116.8°	132.9°
O11	S1	O1	O13	114.1°	113.5°
O11	S1	O12	O13	105.3°	123.0°
O11	S1	O13	H13	0.0°	66.4°
C2	C1	O1	H1	117.3°	120.1°
C1	C2	O2	H2	116.8°	120.1°
C2	C1	O1	S1	125.2°	150.1°
C1	C2	O2	S2	139.2°	95.0°
C1	C2	C3	H3	100.5°	176.9°
O1	C1	C2	O2	47.7°	57.6°
C1	O1	S1	O12	139.1°	38.5°
C1	O1	S1	O13	91.8°	75.0°
O1	C1	C2	H2	70.3°	177.7°
C2	O2	S2	O21	3.5°	171.5°
C2	O2	S2	O22	115.8°	38.5°
C2	O2	S2	O23	123.8°	75.0°
O2	C2	C1	H1	165.4°	62.5°
O2	C2	C3	H3	134.3°	63.2°
O1	S1	O12	O13	132.9°	114.1°
S1	O1	C1	H1	7.9°	30.0°
O1	S1	O13	H13	118.5°	179.9°
O12	S1	O13	H13	102.6°	66.5°
O2	S2	O21	O22	123.1°	123.0°
O2	S2	O21	O23	123.4°	114.1°
O2	S2	O22	O23	122.1°	114.1°
S2	O2	C2	H2	22.3°	25.1°
O2	S2	O23	H23	127.0°	180.0°
O21	S2	O22	O23	111.4°	123.0°
O21	S2	O23	H23	0.0°	66.5°
O22	S2	O23	H23	110.7°	66.5°
H61	C6	C5	H5	172.1°	174.8°
H61	C6	O6	HO6	60.0°	59.9°
H62	C6	C5	H5	68.0°	65.1°
H62	C6	O6	HO6	59.9°	60.0°
H5	C5	C4	H4	87.6°	177.7°
H1	C1	C2	H2	47.4°	57.6°
H4	C4	C3	H3	13.3°	57.0°
H3	C3	C2	H2	17.2°	57.0°

Release date:	2020-07-29
Definition date:	2020-03-31
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	6GCC