SUS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S1	N2	sing	1.66Å	1.63Å
N2	C2	sing	1.47Å	1.47Å
N2	HN21	sing	0.97Å	1.00Å
C2	C1	sing	1.53Å	1.53Å
C1	O5	sing	1.43Å	1.44Å
C1	O1	sing	1.43Å	1.45Å
C1	H1	sing	1.09Å	1.10Å
O1	HO1	sing	0.97Å	0.95Å
O3S	S1	doub	1.42Å	1.50Å
O1S	S1	doub	1.42Å	1.50Å
O2S	S1	sing	1.52Å	1.50Å
C2	C3	sing	1.53Å	1.53Å
C2	H2	sing	1.09Å	1.10Å
O5S	S2	doub	1.42Å	1.50Å
O6	S2	sing	1.52Å	1.43Å
S2	O4S	doub	1.42Å	1.50Å
S2	O6S	sing	1.52Å	1.50Å
O3	C3	sing	1.43Å	1.43Å
C3	C4	sing	1.53Å	1.53Å
C3	H3	sing	1.09Å	1.10Å
O3	S3	sing	1.52Å	1.43Å
O7S	S3	doub	1.42Å	1.50Å
O8S	S3	doub	1.42Å	1.50Å
S3	O9S	sing	1.52Å	1.50Å
C4	C5	sing	1.53Å	1.53Å
C4	O4	sing	1.43Å	1.45Å
C4	H4	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
O5	C5	sing	1.43Å	1.44Å
C5	C6	sing	1.53Å	1.53Å
C5	H5	sing	1.09Å	1.10Å
O6	C6	sing	1.43Å	1.43Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
O2S	HO2S	sing	0.97Å	0.95Å
O6S	HO6S	sing	0.97Å	0.95Å
O9S	HO9S	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
S1	N2	C2	110.5°	120.0°
S1	N2	HN21	109.2°	120.0°
N2	S1	O3S	110.1°	106.4°
N2	S1	O1S	110.1°	106.4°
N2	S1	O2S	108.4°	107.3°
C2	N2	HN21	109.2°	120.0°
N2	C2	C1	110.4°	109.5°
N2	C2	C3	110.2°	109.5°
N2	C2	H2	108.6°	109.5°
C2	C1	O5	112.1°	109.4°
C2	C1	O1	112.2°	109.5°
C2	C1	H1	105.8°	109.5°
C1	C2	C3	112.0°	109.2°
C1	C2	H2	107.8°	109.5°
O5	C1	O1	112.5°	109.5°
O5	C1	H1	106.9°	109.5°
C1	O5	C5	114.2°	114.1°
O1	C1	H1	106.8°	109.5°
C1	O1	HO1	109.5°	114.0°
O3S	S1	O1S	109.2°	123.1°
O3S	S1	O2S	109.3°	106.4°
O1S	S1	O2S	109.6°	106.4°
S1	O2S	HO2S	109.5°	114.0°
C3	C2	H2	107.8°	109.6°
C2	C3	O3	109.6°	109.5°
C2	C3	C4	107.9°	109.0°
C2	C3	H3	109.2°	109.6°
O5S	S2	O6	109.2°	106.4°
O5S	S2	O4S	109.2°	123.1°
O5S	S2	O6S	109.9°	106.4°
O6	S2	O4S	109.1°	106.4°
O6	S2	O6S	109.9°	107.2°
S2	O6	C6	120.4°	114.0°
O4S	S2	O6S	109.6°	106.4°
S2	O6S	HO6S	109.5°	114.0°
O3	C3	C4	110.1°	109.5°
O3	C3	H3	110.6°	109.7°
C3	O3	S3	112.4°	114.0°
C4	C3	H3	109.2°	109.5°
C3	C4	C5	107.7°	109.1°
C3	C4	O4	110.1°	109.5°
C3	C4	H4	108.9°	109.6°
O3	S3	O7S	110.1°	106.4°
O3	S3	O8S	109.2°	106.4°
O3	S3	O9S	110.2°	107.2°
O7S	S3	O8S	109.0°	123.2°
O7S	S3	O9S	109.4°	106.4°
O8S	S3	O9S	109.1°	106.4°
S3	O9S	HO9S	109.5°	114.0°
C5	C4	O4	111.2°	109.5°
C5	C4	H4	108.9°	109.5°
C4	C5	O5	109.4°	109.4°
C4	C5	C6	110.7°	109.5°
C4	C5	H5	108.5°	109.5°
O4	C4	H4	110.0°	109.6°
C4	O4	HO4	109.5°	114.0°
O5	C5	C6	109.9°	109.5°
O5	C5	H5	109.8°	109.6°
C6	C5	H5	108.5°	109.5°
C5	C6	O6	112.3°	109.5°
C5	C6	H61	108.7°	109.5°
C5	C6	H62	108.7°	109.5°
O6	C6	H61	108.8°	109.5°
O6	C6	H62	108.8°	109.5°
H61	C6	H62	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S1	N2	C2	HN21	120.1°	179.8°
S1	N2	C2	C1	102.7°	94.8°
N2	S1	O3S	O1S	121.1°	122.9°
N2	S1	O3S	O2S	119.0°	114.1°
N2	S1	O1S	O2S	119.1°	114.1°
S1	N2	C2	C3	133.2°	145.6°
S1	N2	C2	H2	15.3°	25.3°
N2	S1	O2S	HO2S	120.1°	180.0°
N2	C2	C1	C3	123.1°	119.9°
N2	C2	C1	H2	118.5°	120.1°
N2	C2	C1	O5	172.5°	177.6°
N2	C2	C1	O1	44.7°	57.6°
N2	C2	C1	H1	71.4°	62.5°
C2	N2	S1	O3S	68.1°	178.5°
C2	N2	S1	O1S	52.4°	48.6°
C2	N2	S1	O2S	172.3°	65.0°
N2	C2	C3	H2	118.4°	120.2°
N2	C2	C3	O3	62.5°	63.3°
N2	C2	C3	C4	177.6°	176.9°
N2	C2	C3	H3	58.9°	57.0°
HN21	N2	C2	C1	17.5°	85.0°
HN21	N2	S1	O3S	52.0°	1.7°
HN21	N2	S1	O1S	172.6°	131.2°
HN21	N2	S1	O2S	67.6°	115.2°
HN21	N2	C2	C3	106.7°	34.6°
HN21	N2	C2	H2	135.4°	154.9°
C2	C1	O5	O1	127.6°	120.0°
C2	C1	O5	H1	115.5°	120.0°
C2	C1	O1	H1	115.5°	120.1°
C2	C1	O1	HO1	180.0°	179.9°
C1	C2	C3	H2	118.4°	120.0°
C1	C2	C3	O3	174.3°	176.8°
C1	C2	C3	C4	54.3°	57.0°
C1	C2	C3	H3	64.4°	62.8°
C2	C1	O5	C5	52.4°	61.2°
O5	C1	O1	H1	116.9°	120.0°
O5	C1	O1	HO1	52.4°	60.0°
O5	C1	C2	C3	49.4°	57.7°
O5	C1	C2	H2	69.0°	62.3°
C1	O5	C5	C4	60.0°	61.2°
C1	O5	C5	C6	178.2°	178.8°
C1	O5	C5	H5	59.0°	58.8°
O1	C1	C2	C3	78.4°	62.3°
O1	C1	C2	H2	163.2°	177.7°
O1	C1	O5	C5	75.2°	58.8°
H1	C1	O1	HO1	64.5°	60.0°
H1	C1	C2	C3	165.5°	177.6°
H1	C1	C2	H2	47.1°	57.6°
H1	C1	O5	C5	167.9°	178.8°
O3S	S1	O1S	O2S	119.8°	122.9°
O3S	S1	O2S	HO2S	0.0°	66.5°
O1S	S1	O2S	HO2S	119.7°	66.4°
C2	C3	O3	C4	118.6°	119.5°
C2	C3	O3	H3	120.5°	120.3°
C2	C3	C4	H3	118.7°	119.9°
C2	C3	O3	S3	122.2°	145.0°
C2	C3	C4	C5	60.7°	57.0°
C2	C3	C4	O4	177.9°	176.9°
C2	C3	C4	H4	57.2°	62.9°
H2	C2	C3	O3	55.9°	56.9°
H2	C2	C3	C4	64.1°	62.9°
H2	C2	C3	H3	177.2°	177.2°
O5S	S2	O6	O4S	119.3°	132.9°
O5S	S2	O6	O6S	120.6°	113.6°
O5S	S2	O4S	O6S	120.4°	123.0°
O5S	S2	O6	C6	160.7°	38.6°
O5S	S2	O6S	HO6S	120.0°	66.5°
O6	S2	O4S	O6S	120.3°	114.1°
S2	O6	C6	C5	172.1°	180.0°
S2	O6	C6	H61	67.5°	60.0°
S2	O6	C6	H62	51.7°	60.0°
O6	S2	O6S	HO6S	119.8°	180.0°
O4S	S2	O6	C6	80.0°	171.5°
O4S	S2	O6S	HO6S	0.0°	66.4°
O6S	S2	O6	C6	40.2°	75.0°
O3	C3	C4	H3	121.7°	120.3°
C3	O3	S3	O7S	71.3°	171.5°
C3	O3	S3	O8S	169.1°	38.6°
C3	O3	S3	O9S	49.4°	75.0°
O3	C3	C4	C5	179.6°	176.8°
O3	C3	C4	O4	58.2°	63.3°
O3	C3	C4	H4	62.4°	57.0°
C4	C3	O3	S3	119.2°	95.5°
C3	C4	C5	O4	120.8°	119.9°
C3	C4	C5	H4	117.9°	119.9°
C3	C4	O4	H4	120.0°	120.2°
C3	C4	O4	HO4	180.0°	180.0°
C3	C4	C5	O5	63.6°	57.7°
C3	C4	C5	C6	175.1°	177.6°
C3	C4	C5	H5	56.2°	62.4°
H3	C3	O3	S3	1.7°	24.7°
H3	C3	C4	C5	58.0°	62.9°
H3	C3	C4	O4	63.4°	57.0°
H3	C3	C4	H4	175.9°	177.3°
O3	S3	O7S	O8S	119.7°	122.9°
O3	S3	O7S	O9S	121.2°	114.1°
O3	S3	O8S	O9S	120.4°	114.1°
O3	S3	O9S	HO9S	119.8°	180.0°
O7S	S3	O8S	O9S	119.3°	122.9°
O7S	S3	O9S	HO9S	119.1°	66.4°
O8S	S3	O9S	HO9S	0.0°	66.5°
C5	C4	O4	H4	120.6°	120.1°
C5	C4	O4	HO4	60.7°	60.4°
C4	C5	O5	C6	121.8°	119.9°
C4	C5	O5	H5	118.9°	120.0°
C4	C5	C6	H5	118.9°	120.0°
C4	C5	C6	O6	65.2°	175.0°
C4	C5	C6	H61	174.4°	55.0°
C4	C5	C6	H62	55.2°	65.0°
O4	C4	C5	O5	175.6°	177.5°
O4	C4	C5	C6	54.3°	62.5°
O4	C4	C5	H5	64.6°	57.5°
H4	C4	O4	HO4	60.0°	59.8°
H4	C4	C5	O5	54.3°	62.2°
H4	C4	C5	C6	67.0°	57.7°
H4	C4	C5	H5	174.1°	177.7°
O5	C5	C6	H5	120.0°	120.1°
O5	C5	C6	O6	55.9°	65.1°
O5	C5	C6	H61	64.5°	174.9°
O5	C5	C6	H62	176.3°	54.9°
C5	C6	O6	H61	120.4°	120.0°
C5	C6	O6	H62	120.4°	120.0°
C5	C6	H61	H62	118.7°	120.0°
H5	C5	C6	O6	175.9°	55.0°
H5	C5	C6	H61	55.5°	65.0°
H5	C5	C6	H62	63.7°	175.0°
O6	C6	H61	H62	118.8°	120.0°

Definition date:	2009-08-18
Last modified:	2020-07-17
Release status:	REL
Processing site:	PDBJ
Derived from:	3INA