LX5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O13	S11	doub	1.42Å	1.45Å
O14	S11	doub	1.42Å	1.57Å
S11	O10	sing	1.52Å	1.53Å
S11	O12	sing	1.52Å	1.44Å
O10	C1	sing	1.43Å	1.40Å
C2	C1	sing	1.54Å	1.49Å
C2	C3	sing	1.55Å	1.51Å
C1	C5	sing	1.54Å	1.50Å
C3	O9	sing	1.43Å	1.42Å
C3	C4	sing	1.55Å	1.51Å
C5	C4	sing	1.54Å	1.52Å
C5	C6	sing	1.53Å	1.50Å
C4	O8	sing	1.43Å	1.40Å
O7	C6	sing	1.43Å	1.46Å
C1	H1	sing	1.09Å	1.10Å
C2	H21	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
O7	HO7	sing	0.97Å	0.95Å
O8	HO8	sing	0.97Å	0.95Å
O9	HO9	sing	0.97Å	0.95Å
O12	H7	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O13	S11	O14	118.9°	123.2°
O13	S11	O10	106.1°	106.5°
O13	S11	O12	107.8°	106.4°
O14	S11	O10	100.3°	106.4°
O14	S11	O12	117.5°	106.3°
O10	S11	O12	104.2°	107.2°
S11	O10	C1	124.0°	114.1°
S11	O12	H7	109.5°	114.0°
O10	C1	C2	102.6°	110.1°
O10	C1	C5	117.3°	110.1°
O10	C1	H1	111.5°	110.0°
C1	C2	C3	101.6°	104.2°
C2	C1	C5	104.6°	106.6°
C2	C1	H1	110.2°	110.0°
C1	C2	H21	111.4°	110.5°
C1	C2	H2	111.4°	110.5°
C2	C3	O9	118.1°	110.7°
C2	C3	C4	105.0°	102.7°
C3	C2	H21	111.4°	110.5°
C3	C2	H2	111.4°	110.5°
C2	C3	H3	105.4°	110.7°
C1	C5	C4	106.2°	106.6°
C1	C5	C6	120.3°	110.0°
C5	C1	H1	110.0°	110.1°
C1	C5	H5	102.7°	110.1°
O9	C3	C4	115.5°	110.8°
O9	C3	H3	106.3°	110.7°
C3	O9	HO9	109.5°	114.0°
C3	C4	C5	104.7°	104.2°
C3	C4	O8	118.1°	110.5°
C4	C3	H3	105.3°	110.9°
C3	C4	H4	104.4°	110.5°
C4	C5	C6	119.5°	110.0°
C5	C4	O8	118.2°	110.5°
C4	C5	H5	102.5°	110.1°
C5	C4	H4	104.2°	110.5°
C5	C6	O7	111.1°	109.5°
C5	C6	H6	109.1°	109.5°
C5	C6	H61	109.0°	109.4°
C6	C5	H5	102.7°	110.0°
O8	C4	H4	105.5°	110.5°
C4	O8	HO8	109.5°	114.0°
O7	C6	H6	109.1°	109.5°
O7	C6	H61	109.1°	109.5°
C6	O7	HO7	109.5°	114.0°
H21	C2	H2	109.4°	110.5°
H6	C6	H61	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O13	S11	O14	O10	115.0°	123.0°
O13	S11	O14	O12	132.9°	122.9°
O13	S11	O10	O12	113.7°	113.6°
O13	S11	O10	C1	67.3°	171.5°
O13	S11	O12	H7	0.0°	66.5°
O14	S11	O10	O12	122.0°	113.4°
O14	S11	O10	C1	168.4°	38.5°
O14	S11	O12	H7	137.7°	66.5°
S11	O10	C1	C2	151.6°	97.8°
S11	O10	C1	C5	94.4°	145.0°
S11	O10	C1	H1	33.7°	23.6°
O10	S11	O12	H7	112.5°	180.0°
O12	S11	O10	C1	46.4°	74.9°
O10	C1	C2	C5	122.9°	119.3°
O10	C1	C2	H1	118.8°	121.3°
O10	C1	C2	C3	82.2°	95.7°
O10	C1	C5	H1	128.8°	121.4°
O10	C1	C5	C4	86.7°	119.3°
O10	C1	C5	C6	133.6°	121.4°
O10	C1	C2	H21	159.1°	145.6°
O10	C1	C2	H2	36.5°	23.0°
O10	C1	C5	H5	20.6°	0.0°
C1	C2	C3	H21	118.7°	118.7°
C1	C2	C3	H2	118.7°	118.7°
C2	C1	C5	H1	118.4°	119.3°
C1	C2	C3	O9	170.9°	156.3°
C1	C2	C3	C4	40.4°	37.9°
C2	C1	C5	C4	26.1°	0.0°
C2	C1	C5	C6	113.5°	119.3°
C1	C2	H21	H2	123.7°	122.6°
C2	C1	C5	H5	133.4°	119.3°
C1	C2	C3	H3	70.6°	80.6°
C3	C2	C1	C5	40.7°	23.6°
C2	C3	O9	C4	125.6°	113.3°
C2	C3	O9	H3	118.0°	123.2°
C2	C3	C4	H3	111.0°	118.3°
C2	C3	C4	C5	24.4°	38.0°
C2	C3	C4	O8	158.4°	156.6°
C3	C2	C1	H1	158.9°	142.9°
C3	C2	H21	H2	123.7°	122.7°
C2	C3	C4	H4	84.9°	80.8°
C2	C3	O9	HO9	180.0°	61.5°
C1	C5	C4	C3	0.9°	23.6°
C1	C5	C4	C6	140.0°	119.3°
C1	C5	C4	H5	107.4°	119.3°
C1	C5	C6	H5	113.1°	121.4°
C1	C5	C4	O8	133.1°	142.3°
C1	C5	C6	O7	75.3°	175.0°
C5	C1	C2	H21	78.0°	95.1°
C5	C1	C2	H2	159.4°	142.3°
C1	C5	C6	H6	164.5°	55.0°
C1	C5	C6	H61	44.9°	65.0°
C1	C5	C4	H4	110.2°	95.1°
O9	C3	C4	H3	117.0°	123.4°
O9	C3	C4	C5	156.4°	156.2°
O9	C3	C4	O8	69.6°	85.1°
O9	C3	C2	H21	52.1°	37.6°
O9	C3	C2	H2	70.4°	85.1°
O9	C3	C4	H4	47.1°	37.5°
C3	C4	C5	O8	134.0°	118.7°
C3	C4	C5	H4	109.3°	118.7°
C3	C4	C5	C6	139.1°	142.9°
C3	C4	O8	H4	116.1°	122.6°
C4	C3	C2	H21	78.4°	80.7°
C4	C3	C2	H2	159.1°	156.6°
C3	C4	C5	H5	108.3°	95.7°
C3	C4	O8	HO8	180.0°	65.2°
C4	C3	O9	HO9	54.4°	174.8°
C4	C5	C6	H5	112.5°	121.4°
C5	C4	O8	H4	116.0°	122.6°
C4	C5	C6	O7	59.1°	67.8°
C4	C5	C1	H1	144.5°	119.3°
C4	C5	C6	H6	61.1°	172.1°
C4	C5	C6	H61	179.4°	52.2°
C5	C4	C3	H3	86.6°	80.4°
C5	C4	O8	HO8	52.2°	180.0°
C6	C5	C4	O8	86.9°	98.4°
C5	C6	O7	H6	120.2°	120.0°
C5	C6	O7	H61	120.2°	120.0°
C6	C5	C1	H1	4.8°	0.0°
C5	C6	H6	H61	119.2°	119.9°
C6	C5	C4	H4	29.8°	24.2°
C5	C6	O7	HO7	180.0°	180.0°
O8	C4	C5	H5	25.7°	23.0°
O8	C4	C3	H3	47.4°	38.3°
O7	C6	H6	H61	119.3°	120.0°
O7	C6	C5	H5	171.6°	53.6°
H1	C1	C2	H21	40.2°	24.2°
H1	C1	C2	H2	82.3°	98.4°
H1	C1	C5	H5	108.2°	121.4°
H21	C2	C3	H3	170.7°	160.8°
H2	C2	C3	H3	48.2°	38.1°
H6	C6	C5	H5	51.4°	66.5°
H6	C6	O7	HO7	59.7°	60.0°
H61	C6	C5	H5	68.1°	173.6°
H61	C6	O7	HO7	59.8°	60.0°
H5	C5	C4	H4	142.4°	145.6°
H3	C3	C4	H4	164.1°	160.9°
H3	C3	O9	HO9	62.0°	61.7°
H4	C4	O8	HO8	63.9°	57.4°

Release date:	2020-02-26
Definition date:	2019-09-26
Last modified:	2020-02-21
Release status:	REL
Processing site:	EBI
Derived from:	6SXU