5KV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C3	sing	1.43Å	1.42Å
O4	C4	sing	1.43Å	1.44Å
C3	C4	sing	1.53Å	1.54Å
C3	C2	sing	1.53Å	1.53Å
O37	S34	doub	1.42Å	1.48Å
C4	C5	sing	1.53Å	1.55Å
O35	S34	doub	1.42Å	1.48Å
N2	S34	sing	1.66Å	1.64Å
N2	C2	sing	1.47Å	1.49Å
S34	O36	sing	1.52Å	1.49Å
C2	C1	sing	1.53Å	1.53Å
C5	C6	sing	1.53Å	1.53Å
C5	O5	sing	1.43Å	1.44Å
C1	O5	sing	1.43Å	1.44Å
C1	O1	sing	1.43Å	1.44Å
C6	O6	sing	1.43Å	1.45Å
O6	S33	sing	1.52Å	1.57Å
O38	S33	doub	1.42Å	1.46Å
S33	O40	doub	1.42Å	1.49Å
S33	O39	sing	1.52Å	1.48Å
O4	HO4	sing	0.97Å	0.95Å
C3	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
O1	HO1	sing	0.97Å	0.95Å
N2	HN21	sing	0.97Å	1.00Å
O3	HO3	sing	0.97Å	0.95Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
O36	H12	sing	0.97Å	0.95Å
O39	H13	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C3	C4	112.7°	109.5°
O3	C3	C2	109.1°	109.5°
O3	C3	H3	109.5°	109.6°
C3	O3	HO3	109.5°	114.0°
O4	C4	C3	107.7°	109.5°
O4	C4	C5	115.4°	109.5°
C4	O4	HO4	109.5°	113.9°
O4	C4	H4	110.1°	109.5°
C4	C3	C2	109.3°	109.1°
C3	C4	C5	105.8°	109.1°
C4	C3	H3	108.0°	109.5°
C3	C4	H4	108.9°	109.5°
C3	C2	N2	113.7°	109.5°
C3	C2	C1	105.4°	109.2°
C2	C3	H3	108.1°	109.6°
C3	C2	H2	108.1°	109.5°
O37	S34	O35	107.7°	123.2°
O37	S34	N2	109.0°	106.4°
O37	S34	O36	106.9°	106.4°
C4	C5	C6	117.1°	109.5°
C4	C5	O5	110.6°	109.4°
C5	C4	H4	108.8°	109.6°
C4	C5	H5	107.7°	109.4°
O35	S34	N2	111.0°	106.4°
O35	S34	O36	109.9°	106.4°
S34	N2	C2	117.1°	120.0°
N2	S34	O36	112.2°	107.2°
S34	N2	HN21	107.5°	120.1°
N2	C2	C1	112.8°	109.5°
N2	C2	H2	108.6°	109.6°
C2	N2	HN21	107.6°	119.9°
S34	O36	H12	109.5°	114.0°
C2	C1	O5	107.6°	109.4°
C2	C1	O1	111.7°	109.5°
C1	C2	H2	108.1°	109.5°
C2	C1	H1	108.1°	109.5°
C6	C5	O5	104.3°	109.5°
C5	C6	O6	109.2°	109.5°
C6	C5	H5	107.9°	109.6°
C5	C6	H61	109.5°	109.4°
C5	C6	H62	109.5°	109.5°
C5	O5	C1	114.5°	114.2°
O5	C5	H5	109.0°	109.4°
O5	C1	O1	110.5°	109.5°
O5	C1	H1	109.4°	109.5°
O1	C1	H1	109.4°	109.5°
C1	O1	HO1	109.5°	114.0°
C6	O6	S33	124.8°	114.0°
O6	C6	H61	109.5°	109.5°
O6	C6	H62	109.5°	109.5°
O6	S33	O38	108.6°	106.4°
O6	S33	O40	109.4°	106.4°
O6	S33	O39	109.5°	107.2°
O38	S33	O40	111.6°	123.2°
O38	S33	O39	107.1°	106.4°
O40	S33	O39	110.5°	106.4°
S33	O39	H13	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)
O3	C3	C4	O4	53.1°	63.2°
O3	C3	C4	C2	121.5°	119.9°
O3	C3	C4	H3	121.1°	120.2°
O3	C3	C2	H3	119.0°	120.3°
O3	C3	C4	C5	177.1°	176.8°
O3	C3	C2	N2	46.5°	63.2°
O3	C3	C2	C1	170.4°	176.8°
O3	C3	C4	H4	66.2°	56.9°
O3	C3	C2	H2	74.2°	57.0°
O4	C4	C3	C5	123.9°	119.9°
O4	C4	C3	H4	119.3°	120.1°
O4	C4	C3	C2	174.6°	176.9°
O4	C4	C5	H4	124.2°	120.1°
O4	C4	C5	C6	66.1°	62.5°
O4	C4	C5	O5	174.6°	177.5°
O4	C4	C3	H3	68.0°	57.0°
O4	C4	C5	H5	55.5°	57.6°
C4	C3	C2	H3	117.3°	119.9°
C3	C4	C5	H4	116.8°	119.9°
C4	C3	C2	N2	170.1°	176.9°
C4	C3	C2	C1	65.9°	57.0°
C3	C4	C5	C6	174.9°	177.6°
C3	C4	C5	O5	55.6°	57.6°
C3	C4	O4	HO4	180.0°	180.0°
C3	C4	C5	H5	63.4°	62.3°
C4	C3	C2	H2	49.4°	62.9°
C4	C3	O3	HO3	110.1°	59.9°
C2	C3	C4	C5	61.4°	57.0°
C3	C2	N2	S34	94.5°	145.0°
C3	C2	N2	C1	119.8°	119.7°
C3	C2	N2	H2	120.4°	120.2°
C3	C2	C1	H2	115.4°	119.9°
C3	C2	C1	O5	63.1°	57.6°
C3	C2	C1	O1	175.4°	177.6°
C2	C3	C4	H4	55.3°	63.0°
C3	C2	C1	H1	55.0°	62.4°
C3	C2	N2	HN21	144.4°	35.0°
C2	C3	O3	HO3	11.5°	179.5°
O37	S34	O35	N2	119.2°	123.0°
O37	S34	O35	O36	116.1°	122.9°
O37	S34	N2	O36	118.2°	113.5°
O37	S34	N2	C2	158.1°	178.5°
O37	S34	N2	HN21	80.8°	1.5°
O37	S34	O36	H12	0.0°	66.4°
C4	C5	C6	O5	122.6°	120.0°
C4	C5	C6	H5	121.5°	120.0°
C4	C5	O5	H5	118.2°	119.9°
C4	C5	O5	C1	59.1°	61.1°
C4	C5	C6	O6	163.9°	175.0°
C5	C4	O4	HO4	62.1°	60.3°
C5	C4	C3	H3	56.0°	62.9°
C4	C5	C6	H61	44.0°	55.0°
C4	C5	C6	H62	76.1°	65.0°
O35	S34	N2	O36	123.4°	113.5°
O35	S34	N2	C2	39.7°	48.5°
O35	S34	N2	HN21	160.8°	131.4°
O35	S34	O36	H12	116.5°	66.5°
S34	N2	C2	HN21	121.1°	180.0°
S34	N2	C2	C1	145.6°	95.3°
S34	N2	C2	H2	25.9°	24.8°
N2	S34	O36	H12	119.5°	180.0°
C2	N2	S34	O36	83.7°	65.0°
N2	C2	C1	H2	120.0°	120.2°
N2	C2	C1	O5	172.3°	177.5°
N2	C2	C1	O1	50.9°	62.5°
N2	C2	C3	H3	72.5°	57.0°
N2	C2	C1	H1	69.5°	57.6°
O36	S34	N2	HN21	37.4°	115.0°
C2	C1	O5	C5	62.3°	61.1°
C2	C1	O5	O1	122.2°	120.1°
C2	C1	O5	H1	117.3°	119.9°
C2	C1	O1	H1	119.7°	120.0°
C1	C2	C3	H3	51.4°	62.9°
C2	C1	O1	HO1	180.0°	180.0°
C1	C2	N2	HN21	24.6°	84.7°
C6	C5	O5	H5	115.0°	120.1°
C6	C5	O5	C1	174.2°	178.9°
C5	C6	O6	H61	120.0°	119.9°
C5	C6	O6	H62	119.9°	120.0°
C5	C6	O6	S33	144.1°	180.0°
C6	C5	C4	H4	58.1°	57.6°
C5	C6	H61	H62	120.1°	120.0°
C5	O5	C1	O1	175.5°	178.9°
O5	C5	C6	O6	73.4°	65.1°
O5	C5	C4	H4	61.2°	62.4°
C5	O5	C1	H1	55.0°	58.8°
O5	C5	C6	H61	166.6°	175.0°
O5	C5	C6	H62	46.5°	54.9°
O5	C1	O1	H1	120.6°	120.0°
C1	O5	C5	H5	59.1°	58.8°
O5	C1	C2	H2	52.3°	62.3°
O5	C1	O1	HO1	60.2°	60.0°
O1	C1	C2	H2	69.2°	57.7°
C6	O6	S33	O38	77.4°	38.5°
C6	O6	S33	O40	160.5°	171.5°
C6	O6	S33	O39	39.2°	75.0°
O6	C6	C5	H5	42.4°	55.0°
O6	C6	H61	H62	120.1°	120.0°
O6	S33	O38	O40	120.8°	123.0°
O6	S33	O38	O39	118.2°	114.0°
O6	S33	O40	O39	120.7°	114.0°
S33	O6	C6	H61	96.0°	60.0°
S33	O6	C6	H62	24.1°	60.0°
O6	S33	O39	H13	117.6°	180.0°
O38	S33	O40	O39	119.0°	123.0°
O38	S33	O39	H13	0.0°	66.5°
O40	S33	O39	H13	121.8°	66.5°
HO4	O4	C4	H4	61.5°	59.9°
H3	C3	C4	H4	172.7°	177.1°
H3	C3	C2	H2	166.8°	177.2°
H3	C3	O3	HO3	129.6°	60.2°
H4	C4	C5	H5	179.7°	177.7°
H5	C5	C6	H61	77.5°	65.0°
H5	C5	C6	H62	162.4°	175.0°
H2	C2	C1	H1	170.4°	177.7°
H2	C2	N2	HN21	95.2°	155.2°
H1	C1	O1	HO1	60.3°	60.0°

Release date:	2015-11-18
Definition date:	2015-10-15
Last modified:	2020-07-17
Release status:	REL
Processing site:	EBI
Derived from:	5E9C