K5B

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O8	C8	sing	1.43Å	1.43Å
C8	C7	sing	1.53Å	1.52Å
C7	C6	sing	1.54Å	1.53Å
C7	O7	sing	1.44Å	1.42Å
C6	O6	sing	1.43Å	1.42Å
C6	C5	sing	1.55Å	1.52Å
O5	C5	sing	1.43Å	1.43Å
O7	C4	sing	1.44Å	1.42Å
C5	C4	sing	1.54Å	1.54Å
C4	C3	sing	1.53Å	1.54Å
C3	C2	sing	1.51Å	1.51Å
C2	O2	doub	1.21Å	1.23Å
C2	C1	sing	1.49Å	1.46Å
C1	O1A	doub	1.21Å	1.26Å
C1	O1B	sing	1.35Å	1.26Å
O1B	HO1B	sing	0.97Å	0.95Å
C3	H32	sing	1.09Å	1.10Å
C3	H31	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
C8	H81	sing	1.09Å	1.10Å
O8	HO8	sing	0.97Å	0.95Å
C6	H6	sing	1.09Å	1.10Å
O6	HO6	sing	0.97Å	0.95Å
C5	H5	sing	1.09Å	1.10Å
O5	HO5	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O8	C8	C7	110.2°	109.5°
O8	C8	H82	109.3°	109.5°
O8	C8	H81	109.3°	109.4°
C8	O8	HO8	109.5°	114.1°
C8	C7	C6	114.3°	110.4°
C8	C7	O7	102.5°	110.3°
C8	C7	H7	110.8°	110.4°
C7	C8	H82	109.3°	109.5°
C7	C8	H81	109.3°	109.5°
C6	C7	O7	106.1°	104.8°
C7	C6	O6	111.1°	110.6°
C7	C6	C5	102.6°	104.1°
C6	C7	H7	110.6°	110.4°
C7	C6	H6	110.6°	110.5°
C7	O7	C4	111.1°	105.2°
O7	C7	H7	112.2°	110.4°
O6	C6	C5	109.3°	110.4°
O6	C6	H6	112.2°	110.4°
C6	O6	HO6	109.5°	114.0°
C6	C5	O5	110.1°	110.5°
C6	C5	C4	101.3°	103.9°
C5	C6	H6	110.7°	110.6°
C6	C5	H5	110.7°	110.5°
O5	C5	C4	111.6°	110.5°
O5	C5	H5	112.1°	110.6°
C5	O5	HO5	109.5°	114.0°
O7	C4	C5	103.3°	104.9°
O7	C4	C3	103.2°	110.3°
O7	C4	H4	111.7°	110.4°
C5	C4	C3	118.2°	110.4°
C5	C4	H4	110.0°	110.4°
C4	C5	H5	110.5°	110.6°
C4	C3	C2	112.8°	109.5°
C4	C3	H32	108.6°	109.5°
C4	C3	H31	108.6°	109.5°
C3	C4	H4	110.0°	110.3°
C3	C2	O2	122.8°	120.0°
C3	C2	C1	115.1°	120.0°
C2	C3	H32	108.6°	109.5°
C2	C3	H31	108.6°	109.4°
O2	C2	C1	122.1°	120.1°
C2	C1	O1A	117.7°	120.1°
C2	C1	O1B	119.3°	120.0°
O1A	C1	O1B	123.0°	120.0°
C1	O1B	HO1B	109.5°	117.0°
H32	C3	H31	109.5°	109.4°
H82	C8	H81	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O8	C8	C7	H82	120.1°	120.0°
O8	C8	C7	H81	120.1°	119.9°
O8	C8	C7	C6	61.6°	175.0°
O8	C8	C7	O7	175.9°	69.6°
O8	C8	C7	H7	64.2°	52.7°
O8	C8	H82	H81	119.7°	119.9°
C8	C7	C6	O7	112.2°	118.8°
C8	C7	C6	H7	125.9°	122.3°
C8	C7	O7	H7	119.0°	122.3°
C8	C7	C6	O6	152.2°	98.6°
C8	C7	C6	C5	91.1°	142.8°
C8	C7	O7	C4	123.9°	159.3°
C7	C8	H82	H81	119.7°	120.0°
C7	C8	O8	HO8	180.0°	180.0°
C8	C7	C6	H6	27.0°	24.0°
C6	C7	O7	H7	120.8°	118.9°
C7	C6	O6	C5	112.5°	114.7°
C7	C6	O6	H6	124.3°	122.6°
C7	C6	C5	H6	118.0°	118.7°
C7	C6	C5	O5	82.4°	118.6°
C6	C7	O7	C4	3.8°	40.5°
C7	C6	C5	C4	35.7°	0.1°
C6	C7	C8	H82	178.3°	55.0°
C6	C7	C8	H81	58.5°	65.1°
C7	C6	O6	HO6	180.0°	61.4°
C7	C6	C5	H5	153.0°	118.6°
O7	C7	C6	O6	95.6°	142.6°
O7	C7	C6	C5	21.1°	24.0°
C7	O7	C4	C5	26.8°	40.5°
C7	O7	C4	C3	150.5°	159.3°
C7	O7	C4	H4	91.3°	78.5°
O7	C7	C8	H82	64.0°	170.3°
O7	C7	C8	H81	55.8°	50.3°
O7	C7	C6	H6	139.2°	94.8°
O6	C6	C5	H6	124.1°	122.6°
O6	C6	C5	O5	159.6°	122.7°
O6	C6	C5	C4	82.2°	118.7°
O6	C6	C7	H7	26.3°	23.7°
O6	C6	C5	H5	35.1°	0.1°
C6	C5	O5	C4	111.6°	114.5°
C6	C5	O5	H5	123.8°	122.7°
C6	C5	C4	O7	38.6°	23.9°
C6	C5	C4	H5	117.4°	118.6°
C6	C5	C4	C3	151.7°	142.7°
C6	C5	C4	H4	80.8°	95.0°
C5	C6	C7	H7	143.0°	94.9°
C5	C6	O6	HO6	67.5°	176.1°
C6	C5	O5	HO5	180.0°	61.5°
O5	C5	C4	O7	78.5°	94.6°
O5	C5	C4	H5	125.5°	122.8°
O5	C5	C4	C3	34.6°	24.2°
O5	C5	C4	H4	162.1°	146.4°
O5	C5	C6	H6	35.5°	0.1°
O7	C4	C5	C3	113.2°	118.8°
O7	C4	C5	H4	119.4°	119.0°
O7	C4	C3	H4	119.4°	122.2°
O7	C4	C3	C2	145.0°	68.0°
O7	C4	C3	H32	24.6°	172.0°
O7	C4	C3	H31	94.5°	52.0°
C4	O7	C7	H7	117.1°	78.4°
O7	C4	C5	H5	156.0°	142.6°
C5	C4	C3	H4	127.5°	122.3°
C5	C4	C3	C2	101.8°	176.6°
C5	C4	C3	H32	137.8°	56.6°
C5	C4	C3	H31	18.7°	63.4°
C4	C5	C6	H6	153.7°	118.7°
C4	C5	O5	HO5	68.4°	176.0°
C4	C3	C2	H32	120.5°	120.0°
C4	C3	C2	H31	120.5°	120.0°
C4	C3	C2	O2	0.3°	0.0°
C4	C3	C2	C1	179.8°	180.0°
C4	C3	H32	H31	118.5°	120.0°
C3	C4	C5	H5	90.9°	98.6°
C3	C2	O2	C1	179.9°	180.0°
C3	C2	C1	O1A	75.6°	0.0°
C3	C2	C1	O1B	102.5°	179.7°
C2	C3	H32	H31	118.5°	120.0°
C2	C3	C4	H4	25.7°	54.3°
O2	C2	C1	O1A	104.3°	180.0°
O2	C2	C1	O1B	77.6°	0.3°
O2	C2	C3	H32	120.8°	120.0°
O2	C2	C3	H31	120.2°	120.0°
C2	C1	O1A	O1B	178.0°	179.8°
C2	C1	O1B	HO1B	178.0°	179.7°
C1	C2	C3	H32	59.2°	60.0°
C1	C2	C3	H31	59.8°	60.0°
O1A	C1	O1B	HO1B	0.0°	0.1°
H32	C3	C4	H4	94.8°	65.8°
H31	C3	C4	H4	146.2°	174.3°
H4	C4	C5	H5	36.6°	23.6°
H7	C7	C8	H82	55.9°	67.3°
H7	C7	C8	H81	175.8°	172.6°
H7	C7	C6	H6	98.9°	146.3°
H82	C8	O8	HO8	59.9°	60.0°
H81	C8	O8	HO8	59.9°	60.0°
H6	C6	O6	HO6	55.7°	61.2°
H6	C6	C5	H5	89.0°	122.7°
H5	C5	O5	HO5	56.2°	61.2°

Release date:	2018-06-20
Definition date:	2017-09-07
Last modified:	2020-07-17
Release status:	REL
Processing site:	EBI
Derived from:	5OXR