O59

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.50Å
C1	O3	sing	1.43Å	1.48Å
N1	S1	sing	1.66Å	1.57Å
O1	S1	doub	1.42Å	1.43Å
S1	O2	doub	1.42Å	1.43Å
S1	O3	sing	1.52Å	1.57Å
C2	C3	sing	1.53Å	1.51Å
N2	S2	sing	1.66Å	1.57Å
S2	O4	sing	1.52Å	1.58Å
S2	O5	doub	1.42Å	1.43Å
S2	O6	doub	1.42Å	1.43Å
C3	C4	sing	1.53Å	1.51Å
C4	C5	sing	1.53Å	1.50Å
O4	C8	sing	1.43Å	1.48Å
C5	C6	sing	1.53Å	1.50Å
C6	C7	sing	1.53Å	1.50Å
C7	C8	sing	1.53Å	1.50Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
N1	HN1	sing	0.97Å	1.00Å
N1	HN1A	sing	0.97Å	1.00Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
N2	HN2	sing	0.97Å	1.00Å
N2	HN2A	sing	0.97Å	1.00Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C4	H4A	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C5	H5A	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C8	H8A	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O3	107.5°	109.5°
C1	C2	C3	114.2°	109.5°
C2	C1	H1	110.2°	109.5°
C2	C1	H1A	110.1°	109.5°
C1	C2	H2	107.9°	109.5°
C1	C2	H2A	107.9°	109.5°
C1	O3	S1	117.6°	114.0°
O3	C1	H1	110.1°	109.5°
O3	C1	H1A	110.2°	109.5°
N1	S1	O1	109.3°	106.4°
N1	S1	O2	108.5°	106.4°
N1	S1	O3	109.3°	107.2°
S1	N1	HN1	109.5°	120.0°
S1	N1	HN1A	109.5°	120.0°
O1	S1	O2	119.8°	123.1°
O1	S1	O3	105.0°	106.4°
O2	S1	O3	104.4°	106.4°
C2	C3	C4	114.1°	109.5°
C3	C2	H2	107.9°	109.4°
C3	C2	H2A	107.9°	109.5°
C2	C3	H3	108.0°	109.5°
C2	C3	H3A	107.9°	109.5°
N2	S2	O4	109.4°	107.2°
N2	S2	O5	108.8°	106.4°
N2	S2	O6	108.4°	106.4°
S2	N2	HN2	109.5°	120.0°
S2	N2	HN2A	109.4°	120.0°
O4	S2	O5	105.0°	106.4°
O4	S2	O6	104.5°	106.4°
S2	O4	C8	118.3°	114.0°
O5	S2	O6	120.3°	123.1°
C3	C4	C5	114.4°	109.5°
C4	C3	H3	107.9°	109.5°
C4	C3	H3A	108.0°	109.5°
C3	C4	H4	107.8°	109.5°
C3	C4	H4A	107.9°	109.5°
C4	C5	C6	114.1°	109.5°
C5	C4	H4	107.9°	109.5°
C5	C4	H4A	107.8°	109.4°
C4	C5	H5	108.0°	109.5°
C4	C5	H5A	108.0°	109.4°
O4	C8	C7	107.1°	109.5°
O4	C8	H8	110.2°	109.5°
O4	C8	H8A	110.3°	109.4°
C5	C6	C7	113.4°	109.5°
C6	C5	H5	108.0°	109.5°
C6	C5	H5A	107.9°	109.5°
C5	C6	H6	108.2°	109.5°
C5	C6	H6A	108.2°	109.5°
C6	C7	C8	114.0°	109.5°
C7	C6	H6	108.2°	109.5°
C7	C6	H6A	108.2°	109.4°
C6	C7	H7	108.0°	109.5°
C6	C7	H7A	108.0°	109.4°
C8	C7	H7	108.0°	109.5°
C8	C7	H7A	108.0°	109.5°
C7	C8	H8	110.3°	109.5°
C7	C8	H8A	110.2°	109.5°
H1	C1	H1A	108.8°	109.5°
HN1	N1	HN1A	109.4°	120.0°
H2	C2	H2A	111.0°	109.5°
HN2	N2	HN2A	109.5°	120.0°
H3	C3	H3A	110.9°	109.5°
H4	C4	H4A	111.0°	109.5°
H5	C5	H5A	110.9°	109.5°
H6	C6	H6A	110.7°	109.5°
H7	C7	H7A	110.9°	109.5°
H8	C8	H8A	108.7°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O3	H1	120.0°	120.0°
C2	C1	O3	H1A	120.0°	120.0°
C2	C1	O3	S1	174.7°	180.0°
C1	C2	C3	H2	120.0°	120.0°
C1	C2	C3	H2A	120.0°	120.0°
C1	C2	C3	C4	173.0°	NaN°
C2	C1	H1	H1A	120.8°	120.0°
C1	C2	H2	H2A	118.1°	120.0°
C1	C2	C3	H3	53.0°	60.0°
C1	C2	C3	H3A	67.0°	60.0°
C1	O3	S1	N1	40.9°	75.0°
C1	O3	S1	O1	76.4°	38.6°
C1	O3	S1	O2	156.8°	171.5°
O3	C1	C2	C3	68.7°	180.0°
O3	C1	H1	H1A	120.8°	120.0°
O3	C1	C2	H2	51.3°	60.0°
O3	C1	C2	H2A	171.3°	60.0°
N1	S1	O1	O2	126.0°	123.0°
N1	S1	O1	O3	117.2°	114.1°
N1	S1	O2	O3	116.5°	114.1°
S1	N1	HN1	HN1A	120.0°	179.9°
O1	S1	O2	O3	117.0°	122.9°
O1	S1	N1	HN1	180.0°	113.5°
O1	S1	N1	HN1A	60.0°	66.4°
O2	S1	N1	HN1	47.7°	113.6°
O2	S1	N1	HN1A	72.2°	66.5°
S1	O3	C1	H1	54.7°	60.0°
S1	O3	C1	H1A	65.3°	60.0°
O3	S1	N1	HN1	65.5°	0.0°
O3	S1	N1	HN1A	174.5°	180.0°
C2	C3	C4	H3	120.0°	120.0°
C2	C3	C4	H3A	120.0°	120.0°
C2	C3	C4	C5	69.8°	180.0°
C3	C2	C1	H1	51.3°	60.0°
C3	C2	C1	H1A	171.3°	60.0°
C3	C2	H2	H2A	118.1°	120.0°
C2	C3	H3	H3A	118.1°	120.0°
C2	C3	C4	H4	50.3°	60.0°
C2	C3	C4	H4A	170.3°	60.0°
N2	S2	O4	O5	116.6°	113.5°
N2	S2	O4	O6	115.8°	113.6°
N2	S2	O5	O6	125.8°	122.9°
N2	S2	O4	C8	45.9°	74.9°
S2	N2	HN2	HN2A	120.0°	179.9°
O4	S2	O5	O6	117.2°	122.9°
S2	O4	C8	C7	175.0°	180.0°
O4	S2	N2	HN2	180.0°	0.0°
O4	S2	N2	HN2A	60.0°	179.9°
S2	O4	C8	H8	65.0°	59.9°
S2	O4	C8	H8A	55.0°	60.0°
O5	S2	O4	C8	70.7°	38.6°
O5	S2	N2	HN2	65.8°	113.5°
O5	S2	N2	HN2A	54.2°	66.4°
O6	S2	O4	C8	161.7°	171.5°
O6	S2	N2	HN2	66.7°	113.6°
O6	S2	N2	HN2A	173.3°	66.5°
C3	C4	C5	H4	120.0°	120.0°
C3	C4	C5	H4A	120.0°	120.0°
C3	C4	C5	C6	167.6°	180.0°
C4	C3	C2	H2	67.0°	60.0°
C4	C3	C2	H2A	53.0°	60.0°
C4	C3	H3	H3A	118.1°	120.0°
C3	C4	H4	H4A	118.0°	120.0°
C3	C4	C5	H5	72.4°	60.0°
C3	C4	C5	H5A	47.6°	60.0°
C4	C5	C6	H5	120.0°	120.0°
C4	C5	C6	H5A	120.0°	120.0°
C4	C5	C6	C7	167.6°	180.0°
C5	C4	C3	H3	170.2°	60.0°
C5	C4	C3	H3A	50.2°	60.0°
C5	C4	H4	H4A	118.0°	120.0°
C4	C5	H5	H5A	118.1°	120.0°
C4	C5	C6	H6	72.4°	60.0°
C4	C5	C6	H6A	47.6°	60.0°
O4	C8	C7	C6	81.7°	179.9°
O4	C8	C7	H8	120.0°	120.0°
O4	C8	C7	H8A	120.0°	120.0°
O4	C8	C7	H7	38.3°	60.0°
O4	C8	C7	H7A	158.3°	60.0°
O4	C8	H8	H8A	121.0°	120.0°
C5	C6	C7	H6	120.0°	120.0°
C5	C6	C7	H6A	120.0°	120.0°
C5	C6	C7	C8	165.7°	180.0°
C6	C5	C4	H4	47.6°	60.0°
C6	C5	C4	H4A	72.4°	60.0°
C6	C5	H5	H5A	118.1°	120.0°
C5	C6	H6	H6A	118.4°	120.0°
C5	C6	C7	H7	45.7°	60.0°
C5	C6	C7	H7A	74.4°	60.0°
C6	C7	C8	H7	120.0°	120.0°
C6	C7	C8	H7A	120.0°	119.9°
C7	C6	C5	H5	47.6°	60.0°
C7	C6	C5	H5A	72.4°	60.0°
C7	C6	H6	H6A	118.4°	120.0°
C6	C7	H7	H7A	118.1°	120.0°
C6	C7	C8	H8	38.3°	60.0°
C6	C7	C8	H8A	158.3°	60.0°
C8	C7	C6	H6	74.3°	60.0°
C8	C7	C6	H6A	45.7°	60.0°
C8	C7	H7	H7A	118.1°	120.0°
C7	C8	H8	H8A	121.0°	120.0°
H1	C1	C2	H2	171.3°	60.0°
H1	C1	C2	H2A	68.7°	180.0°
H1A	C1	C2	H2	68.7°	180.0°
H1A	C1	C2	H2A	51.3°	60.0°
H2	C2	C3	H3	173.0°	180.0°
H2	C2	C3	H3A	53.0°	60.0°
H2A	C2	C3	H3	67.0°	60.0°
H2A	C2	C3	H3A	173.0°	NaN°
H3	C3	C4	H4	69.8°	180.0°
H3	C3	C4	H4A	50.3°	60.0°
H3A	C3	C4	H4	170.2°	60.0°
H3A	C3	C4	H4A	69.8°	180.0°
H4	C4	C5	H5	167.6°	180.0°
H4	C4	C5	H5A	72.4°	60.0°
H4A	C4	C5	H5	47.6°	60.0°
H4A	C4	C5	H5A	167.6°	180.0°
H5	C5	C6	H6	167.6°	180.0°
H5	C5	C6	H6A	72.4°	60.0°
H5A	C5	C6	H6	47.6°	60.0°
H5A	C5	C6	H6A	167.6°	180.0°
H6	C6	C7	H7	165.7°	180.0°
H6	C6	C7	H7A	45.7°	60.0°
H6A	C6	C7	H7	74.3°	60.0°
H6A	C6	C7	H7A	165.7°	180.0°
H7	C7	C8	H8	158.3°	60.0°
H7	C7	C8	H8A	81.7°	180.0°
H7A	C7	C8	H8	81.7°	180.0°
H7A	C7	C8	H8A	38.3°	60.0°

Definition date:	2009-07-20
Last modified:	2020-06-17
Release status:	REL
Processing site:	PDBJ
Derived from:	3IBL