8OQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O32	C31	doub	1.21Å	1.26Å
O6	C31	sing	1.34Å	1.27Å
C31	C3	sing	1.51Å	1.53Å
O3	C3	sing	1.43Å	1.44Å
C3	C4	sing	1.54Å	1.56Å
C3	C2	sing	1.55Å	1.53Å
C5	C4	sing	1.53Å	1.54Å
C4	O4	sing	1.43Å	1.44Å
C2	C1	sing	1.55Å	1.53Å
O4	C1	sing	1.44Å	1.44Å
O1	C1	sing	1.43Å	1.43Å
O6	H1	sing	0.97Å	0.95Å
O3	H2	sing	0.97Å	0.95Å
C4	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C5	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
O1	H8	sing	0.97Å	0.95Å
C2	H9	sing	1.09Å	1.10Å
C2	O2	sing	1.43Å	1.37Å
O2	H10	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O32	C31	O6	121.5°	120.0°
O32	C31	C3	118.5°	120.0°
O6	C31	C3	120.0°	120.0°
C31	O6	H1	109.5°	117.0°
C31	C3	O3	109.8°	110.7°
C31	C3	C4	113.3°	110.8°
C31	C3	C2	108.4°	110.9°
O3	C3	C4	112.6°	110.8°
O3	C3	C2	107.0°	111.0°
C3	O3	H2	109.5°	114.0°
C4	C3	C2	105.3°	102.3°
C3	C4	C5	117.1°	109.9°
C3	C4	O4	107.8°	107.6°
C3	C4	H3	107.4°	109.8°
C3	C2	C1	105.9°	100.9°
C3	C2	H9	94.5°	111.1°
C3	C2	O2	128.2°	111.1°
C5	C4	O4	107.9°	109.8°
C5	C4	H3	107.6°	109.9°
C4	C5	H4	109.5°	109.4°
C4	C5	H5	109.5°	109.5°
C4	C5	H6	109.5°	109.5°
C4	O4	C1	110.6°	109.9°
O4	C4	H3	108.9°	109.8°
C2	C1	O4	108.2°	105.2°
C2	C1	O1	107.9°	110.4°
C2	C1	H7	108.8°	110.3°
C1	C2	H9	94.5°	111.2°
C1	C2	O2	123.8°	111.1°
O4	C1	O1	111.8°	110.3°
O4	C1	H7	110.0°	110.3°
O1	C1	H7	110.1°	110.2°
C1	O1	H8	109.5°	114.0°
H4	C5	H5	109.5°	109.4°
H4	C5	H6	109.5°	109.5°
H5	C5	H6	109.4°	109.5°
H9	C2	O2	95.0°	111.0°
C2	O2	H10	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O32	C31	O6	C3	178.2°	179.7°
O32	C31	C3	O3	6.8°	148.5°
O32	C31	C3	C4	133.7°	25.0°
O32	C31	C3	C2	109.8°	87.9°
O32	C31	O6	H1	0.0°	0.0°
O6	C31	C3	O3	175.0°	31.8°
O6	C31	C3	C4	48.1°	155.3°
O6	C31	C3	C2	68.4°	91.8°
C31	C3	O3	C4	127.3°	123.5°
C31	C3	O3	C2	117.5°	123.6°
C31	C3	C4	C2	118.3°	118.2°
C31	C3	C4	C5	118.9°	100.9°
C31	C3	C4	O4	119.3°	139.6°
C31	C3	C2	C1	113.7°	152.3°
C3	C31	O6	H1	178.2°	179.7°
C31	C3	O3	H2	3.2°	59.3°
C31	C3	C4	H3	2.2°	20.1°
C31	C3	C2	H9	150.3°	89.7°
C31	C3	C2	O2	50.3°	34.4°
O3	C3	C4	C2	116.2°	118.4°
O3	C3	C4	C5	6.5°	22.5°
O3	C3	C4	O4	115.2°	97.0°
O3	C3	C2	C1	127.9°	84.2°
O3	C3	C4	H3	127.6°	143.5°
O3	C3	C2	H9	31.9°	33.8°
O3	C3	C2	O2	68.1°	157.9°
C3	C4	C5	O4	121.7°	118.2°
C3	C4	C5	H3	121.0°	120.9°
C3	C4	O4	H3	116.2°	119.5°
C4	C3	C2	C1	7.9°	34.1°
C3	C4	O4	C1	10.3°	1.7°
C4	C3	O3	H2	130.5°	177.2°
C3	C4	C5	H4	180.0°	60.0°
C3	C4	C5	H5	60.0°	180.0°
C3	C4	C5	H6	60.0°	60.0°
C4	C3	C2	H9	88.1°	152.1°
C4	C3	C2	O2	171.9°	83.8°
C2	C3	C4	C5	122.8°	140.9°
C2	C3	C4	O4	1.0°	21.3°
C3	C2	C1	H9	96.0°	118.0°
C3	C2	C1	O2	164.9°	117.9°
C3	C2	C1	O4	14.3°	36.4°
C3	C2	C1	O1	106.8°	155.4°
C2	C3	O3	H2	114.3°	64.3°
C2	C3	C4	H3	116.2°	98.2°
C3	C2	C1	H7	133.8°	82.5°
C3	C2	H9	O2	129.1°	124.2°
C3	C2	O2	H10	180.0°	180.0°
C5	C4	O4	H3	116.5°	120.9°
C5	C4	O4	C1	137.6°	117.9°
C4	C5	H4	H5	120.0°	120.0°
C4	C5	H4	H6	120.0°	120.0°
C4	C5	H5	H6	120.0°	120.1°
C4	O4	C1	C2	15.5°	24.4°
C4	O4	C1	O1	103.1°	143.4°
O4	C4	C5	H4	58.2°	58.1°
O4	C4	C5	H5	178.3°	61.8°
O4	C4	C5	H6	61.8°	178.1°
C4	O4	C1	H7	134.2°	94.6°
C2	C1	O4	O1	118.6°	119.0°
C2	C1	O4	H7	118.7°	119.0°
C2	C1	O1	H7	118.6°	122.1°
C2	C1	O1	H8	180.0°	177.3°
C1	C2	H9	O2	124.6°	124.2°
C1	C2	O2	H10	18.6°	68.4°
O4	C1	O1	H7	122.6°	122.0°
C1	O4	C4	H3	105.9°	121.2°
O4	C1	O1	H8	61.2°	61.5°
O4	C1	C2	H9	81.7°	154.4°
O4	C1	C2	O2	179.2°	81.5°
O1	C1	C2	H9	157.2°	86.7°
O1	C1	C2	O2	58.1°	37.5°
H3	C4	C5	H4	59.1°	179.1°
H3	C4	C5	H5	61.0°	59.1°
H3	C4	C5	H6	179.0°	61.0°
H4	C5	H5	H6	120.0°	120.0°
H7	C1	O1	H8	61.4°	60.6°
H7	C1	C2	H9	37.8°	35.4°
H7	C1	C2	O2	61.3°	159.6°
H9	C2	O2	H10	80.2°	55.8°

Release date:	2017-03-22
Definition date:	2017-02-14
Last modified:	2020-07-17
Release status:	REL
Processing site:	EBI
Derived from:	5MUI