NGY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	sing	1.43Å	1.41Å
C1	C2	sing	1.53Å	1.54Å
C1	O5	sing	1.43Å	1.41Å
C1	H1	sing	1.09Å	1.10Å
C2	C3	sing	1.53Å	1.54Å
C2	N2	sing	1.47Å	1.46Å
C2	H2	sing	1.09Å	1.10Å
C3	C4	sing	1.53Å	1.54Å
C3	O3	sing	1.43Å	1.42Å
C3	H3	sing	1.09Å	1.10Å
C4	C5	sing	1.53Å	1.54Å
C4	O4	sing	1.43Å	1.45Å
C4	H4	sing	1.09Å	1.10Å
C5	C6	sing	1.53Å	1.53Å
C5	O5	sing	1.43Å	1.42Å
C5	H5	sing	1.09Å	1.10Å
C6	O6	sing	1.43Å	1.40Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å
O6	S	sing	1.52Å	1.58Å
N2	C7	sing	1.35Å	1.34Å
N2	HN2	sing	0.97Å	1.00Å
C7	O7	doub	1.21Å	1.23Å
C7	C8	sing	1.51Å	1.53Å
C8	H81	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
C8	H83	sing	1.09Å	1.10Å
S	O7A	doub	1.42Å	1.43Å
S	O8	doub	1.42Å	1.44Å
S	O9	sing	1.52Å	1.44Å
O9	H14	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)
O1	C1	C2	110.6°	109.5°
O1	C1	O5	110.7°	109.5°
O1	C1	H1	108.9°	109.5°
C1	O1	HO1	109.5°	114.0°
C2	C1	O5	112.2°	109.4°
C2	C1	H1	107.2°	109.5°
C1	C2	C3	113.4°	109.2°
C1	C2	N2	108.5°	109.5°
C1	C2	H2	107.8°	109.5°
O5	C1	H1	107.1°	109.4°
C1	O5	C5	114.5°	114.1°
C3	C2	N2	110.4°	109.5°
C3	C2	H2	105.8°	109.5°
C2	C3	C4	110.7°	109.0°
C2	C3	O3	109.0°	109.6°
C2	C3	H3	108.8°	109.6°
N2	C2	H2	110.9°	109.5°
C2	N2	C7	125.2°	120.0°
C2	N2	HN2	117.4°	120.0°
C4	C3	O3	109.1°	109.5°
C4	C3	H3	108.8°	109.5°
C3	C4	C5	106.4°	109.2°
C3	C4	O4	108.5°	109.5°
C3	C4	H4	116.2°	109.5°
O3	C3	H3	110.5°	109.6°
C3	O3	HO3	109.5°	114.0°
C5	C4	O4	119.2°	109.6°
C5	C4	H4	104.6°	109.5°
C4	C5	C6	116.5°	109.5°
C4	C5	O5	105.4°	109.4°
C4	C5	H5	106.7°	109.4°
O4	C4	H4	102.4°	109.6°
C4	O4	HO4	109.5°	114.0°
C6	C5	O5	106.7°	109.5°
C6	C5	H5	105.4°	109.5°
C5	C6	O6	108.9°	109.5°
C5	C6	H61	109.7°	109.5°
C5	C6	H62	109.8°	109.5°
O5	C5	H5	116.6°	109.5°
O6	C6	H61	109.7°	109.5°
O6	C6	H62	109.8°	109.5°
C6	O6	S	120.0°	114.0°
H61	C6	H62	109.0°	109.5°
O6	S	O7A	102.7°	106.4°
O6	S	O8	104.5°	106.4°
O6	S	O9	103.2°	107.2°
C7	N2	HN2	117.4°	120.0°
N2	C7	O7	122.6°	120.0°
N2	C7	C8	116.8°	120.0°
O7	C7	C8	120.6°	120.0°
C7	C8	H81	109.5°	109.5°
C7	C8	H82	109.5°	109.5°
C7	C8	H83	109.4°	109.5°
H81	C8	H82	109.4°	109.5°
H81	C8	H83	109.5°	109.5°
H82	C8	H83	109.5°	109.4°
O7A	S	O8	115.6°	123.2°
O7A	S	O9	113.5°	106.4°
O8	S	O9	115.1°	106.4°
S	O9	H14	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	O5	124.1°	120.0°
O1	C1	C2	H1	118.6°	120.1°
O1	C1	O5	H1	118.5°	120.0°
O1	C1	C2	C3	83.8°	62.3°
O1	C1	C2	N2	39.2°	57.6°
O1	C1	C2	H2	159.4°	177.7°
O1	C1	O5	C5	68.9°	58.8°
C2	C1	O5	H1	117.4°	120.0°
C1	C2	C3	N2	122.0°	119.9°
C1	C2	C3	H2	117.9°	119.9°
C1	C2	N2	H2	118.2°	120.1°
C1	C2	C3	C4	43.6°	57.0°
C1	C2	C3	O3	163.6°	176.8°
C1	C2	C3	H3	75.9°	62.9°
C2	C1	O5	C5	55.1°	61.1°
C1	C2	N2	C7	152.9°	84.9°
C1	C2	N2	HN2	27.1°	95.0°
C2	C1	O1	HO1	164.9°	180.0°
O5	C1	C2	C3	40.2°	57.6°
O5	C1	C2	N2	163.3°	177.6°
O5	C1	C2	H2	76.5°	62.3°
C1	O5	C5	C4	69.7°	61.1°
C1	O5	C5	C6	165.8°	178.8°
C1	O5	C5	H5	48.4°	58.8°
O5	C1	O1	HO1	70.1°	60.1°
H1	C1	C2	C3	157.6°	177.6°
H1	C1	C2	N2	79.3°	62.5°
H1	C1	C2	H2	40.9°	57.6°
H1	C1	O5	C5	172.6°	178.9°
H1	C1	O1	HO1	47.4°	59.9°
C3	C2	N2	H2	116.9°	120.1°
C2	C3	C4	O3	119.9°	119.9°
C2	C3	C4	H3	119.5°	119.9°
C2	C3	O3	H3	119.5°	120.3°
C2	C3	C4	C5	57.1°	56.9°
C2	C3	C4	O4	173.5°	176.9°
C2	C3	C4	H4	58.9°	62.9°
C2	C3	O3	HO3	167.5°	180.0°
C3	C2	N2	C7	82.2°	155.3°
C3	C2	N2	HN2	97.8°	24.8°
N2	C2	C3	C4	165.6°	176.9°
N2	C2	C3	O3	74.4°	63.2°
N2	C2	C3	H3	46.1°	57.1°
C2	N2	C7	HN2	180.0°	179.9°
C2	N2	C7	O7	3.2°	0.1°
C2	N2	C7	C8	177.6°	180.0°
H2	C2	C3	C4	74.3°	63.0°
H2	C2	C3	O3	45.7°	56.9°
H2	C2	C3	H3	166.2°	177.2°
H2	C2	N2	C7	34.7°	35.2°
H2	C2	N2	HN2	145.3°	144.9°
C4	C3	O3	H3	119.5°	120.2°
C3	C4	C5	O4	122.9°	119.9°
C3	C4	C5	H4	123.5°	119.9°
C3	C4	O4	H4	123.3°	120.1°
C3	C4	C5	C6	173.6°	177.6°
C3	C4	C5	O5	68.3°	57.5°
C3	C4	C5	H5	56.2°	62.4°
C4	C3	O3	HO3	71.6°	60.4°
C3	C4	O4	HO4	114.5°	180.0°
O3	C3	C4	C5	177.0°	176.8°
O3	C3	C4	O4	53.6°	63.2°
O3	C3	C4	H4	61.0°	57.0°
H3	C3	C4	C5	62.4°	62.9°
H3	C3	C4	O4	67.0°	57.0°
H3	C3	C4	H4	178.4°	177.2°
H3	C3	O3	HO3	48.0°	59.8°
C5	C4	O4	H4	114.8°	120.2°
C4	C5	C6	O5	117.3°	120.0°
C4	C5	C6	H5	118.1°	120.0°
C4	C5	O5	H5	118.1°	119.9°
C4	C5	C6	O6	82.6°	175.0°
C4	C5	C6	H61	37.4°	55.0°
C4	C5	C6	H62	157.2°	65.0°
C5	C4	O4	HO4	7.4°	60.3°
O4	C4	C5	C6	50.7°	62.5°
O4	C4	C5	O5	168.8°	177.5°
O4	C4	C5	H5	66.7°	57.5°
H4	C4	C5	C6	62.9°	57.7°
H4	C4	C5	O5	55.2°	62.3°
H4	C4	C5	H5	179.7°	177.7°
H4	C4	O4	HO4	122.2°	59.8°
C6	C5	O5	H5	117.4°	120.1°
C5	C6	O6	H61	120.0°	120.0°
C5	C6	O6	H62	120.2°	120.0°
C5	C6	H61	H62	120.2°	120.0°
C5	C6	O6	S	155.5°	180.0°
O5	C5	C6	O6	160.0°	65.0°
O5	C5	C6	H61	79.9°	175.0°
O5	C5	C6	H62	39.8°	55.0°
H5	C5	C6	O6	35.5°	55.0°
H5	C5	C6	H61	155.5°	65.0°
H5	C5	C6	H62	84.7°	175.0°
O6	C6	H61	H62	120.2°	120.0°
C6	O6	S	O7A	173.9°	171.5°
C6	O6	S	O8	52.8°	38.5°
C6	O6	S	O9	67.9°	75.0°
H61	C6	O6	S	84.5°	60.0°
H62	C6	O6	S	35.3°	60.0°
O6	S	O7A	O8	113.2°	123.0°
O6	S	O7A	O9	110.7°	114.1°
O6	S	O8	O9	112.4°	114.1°
O6	S	O9	H14	127.5°	180.0°
N2	C7	O7	C8	179.2°	179.9°
N2	C7	C8	H81	48.5°	0.0°
N2	C7	C8	H82	168.5°	120.0°
N2	C7	C8	H83	71.5°	120.0°
HN2	N2	C7	O7	176.8°	180.0°
HN2	N2	C7	C8	2.4°	0.1°
O7	C7	C8	H81	132.2°	179.9°
O7	C7	C8	H82	12.2°	60.0°
O7	C7	C8	H83	107.8°	59.9°
C7	C8	H81	H82	120.0°	120.0°
C7	C8	H81	H83	120.0°	120.1°
C7	C8	H82	H83	120.0°	120.0°
H81	C8	H82	H83	120.0°	119.9°
O7A	S	O8	O9	135.5°	122.9°
O7A	S	O9	H14	122.1°	66.5°
O8	S	O9	H14	14.3°	66.5°

Definition date:	2008-06-13
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	2ERM