8PK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C3	sing	1.43Å	1.43Å
C7	O2	sing	1.43Å	1.44Å
C10	C8	sing	1.53Å	1.53Å
C8	O9	sing	1.43Å	1.42Å
C8	O4	sing	1.43Å	1.44Å
O2	C2	sing	1.43Å	1.45Å
C3	C2	sing	1.53Å	1.53Å
C3	C4	sing	1.53Å	1.53Å
C2	C1	sing	1.53Å	1.55Å
O4	C4	sing	1.43Å	1.45Å
C4	C5	sing	1.53Å	1.53Å
C1	O1	sing	1.43Å	1.44Å
C1	O5	sing	1.43Å	1.43Å
C5	O5	sing	1.43Å	1.44Å
C5	C6	sing	1.53Å	1.53Å
O9	H1A	sing	0.97Å	0.95Å
C8	H2A	sing	1.09Å	1.10Å
C10	H3A	sing	1.09Å	1.10Å
C10	H4A	sing	1.09Å	1.10Å
C10	H5A	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C6	H63	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C2	H2	sing	1.09Å	1.10Å
C7	H14	sing	1.09Å	1.10Å
C7	H15	sing	1.09Å	1.10Å
C7	H16	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
O1	HO1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C3	C2	110.8°	109.6°
O3	C3	C4	111.0°	109.5°
O3	C3	H3	109.3°	109.6°
C3	O3	HO3	109.5°	114.0°
C7	O2	C2	114.8°	114.0°
O2	C7	H14	109.5°	109.5°
O2	C7	H15	109.4°	109.5°
O2	C7	H16	109.5°	109.5°
C10	C8	O9	109.0°	109.5°
C10	C8	O4	111.5°	109.5°
C10	C8	H2A	107.9°	109.5°
C8	C10	H3A	109.5°	109.5°
C8	C10	H4A	109.5°	109.5°
C8	C10	H5A	109.4°	109.5°
O9	C8	O4	110.1°	109.5°
C8	O9	H1A	109.5°	114.0°
O9	C8	H2A	109.3°	109.5°
C8	O4	C4	115.9°	114.0°
O4	C8	H2A	109.1°	109.5°
O2	C2	C3	111.2°	109.5°
O2	C2	C1	112.0°	109.5°
O2	C2	H2	108.9°	109.6°
C2	C3	C4	109.5°	109.0°
C3	C2	C1	109.0°	109.2°
C2	C3	H3	108.0°	109.5°
C3	C2	H2	107.9°	109.5°
C3	C4	O4	111.9°	109.5°
C3	C4	C5	110.3°	109.2°
C3	C4	H4	108.3°	109.6°
C4	C3	H3	108.1°	109.5°
C2	C1	O1	111.0°	109.5°
C2	C1	O5	111.5°	109.4°
C1	C2	H2	107.8°	109.6°
C2	C1	H1	107.6°	109.5°
O4	C4	C5	108.4°	109.5°
O4	C4	H4	109.5°	109.5°
C4	C5	O5	112.3°	109.4°
C4	C5	C6	110.3°	109.5°
C5	C4	H4	108.4°	109.5°
C4	C5	H5	108.4°	109.4°
O1	C1	O5	108.5°	109.5°
O1	C1	H1	109.0°	109.5°
C1	O1	HO1	109.5°	114.0°
C1	O5	C5	116.2°	114.1°
O5	C1	H1	109.2°	109.5°
O5	C5	C6	107.8°	109.5°
O5	C5	H5	109.5°	109.5°
C6	C5	H5	108.4°	109.5°
C5	C6	H61	109.5°	109.5°
C5	C6	H62	109.5°	109.4°
C5	C6	H63	109.5°	109.5°
H3A	C10	H4A	109.5°	109.4°
H3A	C10	H5A	109.4°	109.5°
H4A	C10	H5A	109.5°	109.5°
H61	C6	H62	109.4°	109.5°
H61	C6	H63	109.4°	109.5°
H62	C6	H63	109.5°	109.5°
H14	C7	H15	109.5°	109.5°
H14	C7	H16	109.5°	109.4°
H15	C7	H16	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C3	C2	O2	55.5°	63.2°
O3	C3	C2	C4	122.8°	119.9°
O3	C3	C2	H3	119.7°	120.3°
O3	C3	C4	H3	119.9°	120.2°
O3	C3	C2	C1	179.4°	176.9°
O3	C3	C4	O4	58.3°	57.0°
O3	C3	C4	C5	179.1°	176.9°
O3	C3	C4	H4	62.5°	63.2°
O3	C3	C2	H2	63.9°	56.9°
C7	O2	C2	C3	98.8°	150.0°
C7	O2	C2	C1	139.1°	90.3°
C7	O2	C2	H2	20.0°	29.9°
O2	C7	H14	H15	120.0°	120.0°
O2	C7	H14	H16	120.0°	120.0°
O2	C7	H15	H16	120.0°	120.0°
C10	C8	O9	O4	122.6°	120.0°
C10	C8	O9	H2A	117.7°	120.0°
C10	C8	O4	H2A	119.0°	120.0°
C10	C8	O4	C4	179.0°	169.2°
C10	C8	O9	H1A	180.0°	65.0°
C8	C10	H3A	H4A	120.0°	120.0°
C8	C10	H3A	H5A	120.0°	120.0°
C8	C10	H4A	H5A	120.0°	120.0°
O9	C8	O4	H2A	119.9°	120.0°
O9	C8	O4	C4	59.9°	70.8°
O9	C8	C10	H3A	180.0°	60.0°
O9	C8	C10	H4A	60.0°	180.0°
O9	C8	C10	H5A	60.0°	60.0°
C8	O4	C4	C3	89.9°	96.7°
C8	O4	C4	C5	148.2°	143.6°
O4	C8	O9	H1A	57.4°	55.0°
O4	C8	C10	H3A	58.3°	60.0°
O4	C8	C10	H4A	178.3°	60.0°
O4	C8	C10	H5A	61.7°	180.0°
C8	O4	C4	H4	30.2°	23.5°
O2	C2	C3	C1	123.9°	119.9°
O2	C2	C3	H2	119.4°	120.1°
O2	C2	C3	C4	178.3°	176.9°
O2	C2	C1	H2	119.8°	120.2°
O2	C2	C1	O1	58.0°	57.5°
O2	C2	C1	O5	179.1°	177.5°
O2	C2	C3	H3	64.2°	57.0°
C2	O2	C7	H14	180.0°	60.0°
C2	O2	C7	H15	60.0°	60.0°
C2	O2	C7	H16	60.0°	180.0°
O2	C2	C1	H1	61.2°	62.5°
C2	C3	C4	H3	117.4°	119.8°
C3	C2	C1	H2	116.8°	119.9°
C2	C3	C4	O4	64.4°	62.9°
C2	C3	C4	C5	56.4°	56.9°
C3	C2	C1	O1	65.4°	62.4°
C3	C2	C1	O5	55.7°	57.6°
C2	C3	C4	H4	174.8°	176.9°
C2	C3	O3	HO3	180.0°	60.0°
C3	C2	C1	H1	175.4°	177.6°
C4	C3	C2	C1	57.8°	57.0°
C3	C4	O4	C5	121.9°	119.7°
C3	C4	O4	H4	120.1°	120.2°
C3	C4	C5	H4	118.4°	120.0°
C3	C4	C5	O5	52.1°	57.6°
C3	C4	C5	C6	172.4°	177.6°
C3	C4	C5	H5	69.0°	62.4°
C4	C3	O3	HO3	58.1°	179.6°
C4	C3	C2	H2	59.0°	63.0°
C2	C1	O1	O5	122.8°	119.9°
C2	C1	O1	H1	118.4°	120.0°
C2	C1	O5	H1	118.8°	120.0°
C2	C1	O5	C5	53.8°	61.2°
C1	C2	C3	H3	59.6°	62.9°
C2	C1	O1	HO1	180.0°	180.0°
O4	C4	C5	H4	118.7°	120.1°
O4	C4	C5	O5	70.8°	62.3°
O4	C4	C5	C6	49.6°	57.7°
C4	O4	C8	H2A	59.9°	49.2°
O4	C4	C5	H5	168.1°	177.7°
O4	C4	C3	H3	178.2°	177.2°
C4	C5	O5	C1	52.0°	61.2°
C4	C5	O5	C6	121.8°	120.0°
C4	C5	O5	H5	120.5°	120.0°
C4	C5	C6	H5	118.5°	120.0°
C4	C5	C6	H61	180.0°	54.8°
C4	C5	C6	H62	60.0°	174.8°
C4	C5	C6	H63	60.0°	65.2°
C5	C4	C3	H3	61.0°	62.9°
O1	C1	O5	H1	118.7°	120.0°
O1	C1	O5	C5	68.8°	58.8°
O1	C1	C2	H2	177.8°	177.7°
C1	O5	C5	C6	173.8°	178.9°
C1	O5	C5	H5	68.5°	58.8°
O5	C1	C2	H2	61.1°	62.3°
O5	C1	O1	HO1	57.1°	60.1°
O5	C5	C6	H5	118.5°	120.1°
O5	C5	C4	H4	170.5°	177.6°
O5	C5	C6	H61	57.0°	174.7°
O5	C5	C6	H62	63.0°	65.2°
O5	C5	C6	H63	177.0°	54.7°
C5	O5	C1	H1	172.5°	178.8°
C6	C5	C4	H4	69.1°	62.4°
C5	C6	H61	H62	120.0°	120.0°
C5	C6	H61	H63	120.0°	120.0°
C5	C6	H62	H63	120.0°	120.0°
H1A	O9	C8	H2A	62.3°	175.0°
H2A	C8	C10	H3A	61.5°	180.0°
H2A	C8	C10	H4A	58.6°	60.0°
H2A	C8	C10	H5A	178.6°	60.0°
H3A	C10	H4A	H5A	120.0°	120.0°
H4	C4	C5	H5	49.4°	57.6°
H4	C4	C3	H3	57.4°	57.1°
H5	C5	C6	H61	61.5°	65.2°
H5	C5	C6	H62	178.5°	54.8°
H5	C5	C6	H63	58.5°	174.8°
H61	C6	H62	H63	119.9°	120.0°
H3	C3	O3	HO3	61.0°	60.3°
H3	C3	C2	H2	176.4°	177.2°
H2	C2	C1	H1	58.6°	57.7°
H14	C7	H15	H16	120.0°	120.0°
H1	C1	O1	HO1	61.7°	59.9°

Release date:	2017-03-22
Definition date:	2017-02-18
Last modified:	2020-07-17
Release status:	REL
Processing site:	EBI
Derived from:	5MUI