L5S

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAS	CAJ	sing	1.45Å	1.43Å	Aromatic
CAS	CAU	doub	1.38Å	1.38Å	Aromatic
CAS	CAO	sing	1.48Å	1.47Å
CAJ	CAP	doub	1.32Å	1.36Å	Aromatic
CAP	S	sing	1.75Å	1.71Å	Aromatic
CAU	NAV	sing	1.40Å	1.40Å
CAU	S	sing	1.71Å	1.71Å	Aromatic
NAV	CAR	sing	1.36Å	1.38Å	Aromatic
NAV	CAT	sing	1.36Å	1.38Å	Aromatic
CAR	CAA	sing	1.51Å	1.49Å
CAR	NAM	doub	1.31Å	1.31Å	Aromatic
NAM	NAN	sing	1.29Å	1.39Å	Aromatic
NAN	CAT	doub	1.30Å	1.31Å	Aromatic
CAT	CAK	sing	1.51Å	1.49Å
CAK	NAL	sing	1.47Å	1.47Å
NAL	CAO	doub	1.29Å	1.31Å
CAO	CAQ	sing	1.48Å	1.48Å
CAQ	CAF	sing	1.39Å	1.39Å	Aromatic
CAQ	CAG	doub	1.39Å	1.39Å	Aromatic
CAF	CAD	doub	1.38Å	1.39Å	Aromatic
CAD	CAC	sing	1.38Å	1.38Å	Aromatic
CAC	CAE	doub	1.38Å	1.38Å	Aromatic
CAE	CAG	sing	1.38Å	1.39Å	Aromatic
CAJ	HAJ	sing	1.08Å	1.08Å
CAP	HAP	sing	1.08Å	1.08Å
CAA	HAA1	sing	1.09Å	1.10Å
CAA	HAA2	sing	1.09Å	1.10Å
CAA	HAA3	sing	1.09Å	1.10Å
CAK	HAK1	sing	1.09Å	1.10Å
CAK	HAK2	sing	1.09Å	1.10Å
CAF	HAF	sing	1.08Å	1.08Å
CAG	HAG	sing	1.08Å	1.08Å
CAD	HAD	sing	1.08Å	1.08Å
CAC	HAC	sing	1.08Å	1.08Å
CAE	HAE	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAJ	CAS	CAU	110.8°	111.7°
CAJ	CAS	CAO	125.5°	123.5°
CAS	CAJ	CAP	112.6°	114.0°
CAS	CAJ	HAJ	123.7°	123.0°
CAU	CAS	CAO	123.6°	124.8°
CAS	CAU	NAV	124.7°	124.0°
CAS	CAU	S	112.6°	111.0°
CAS	CAO	NAL	126.3°	125.9°
CAS	CAO	CAQ	117.4°	117.0°
CAJ	CAP	S	112.6°	110.7°
CAP	CAJ	HAJ	123.7°	123.1°
CAJ	CAP	HAP	123.7°	124.7°
CAP	S	CAU	91.4°	92.7°
S	CAP	HAP	123.7°	124.6°
NAV	CAU	S	122.7°	125.0°
CAU	NAV	CAR	131.4°	128.9°
CAU	NAV	CAT	123.5°	124.6°
CAR	NAV	CAT	105.0°	106.5°
NAV	CAR	CAA	124.8°	126.6°
NAV	CAR	NAM	109.6°	106.7°
NAV	CAT	NAN	109.9°	107.1°
NAV	CAT	CAK	121.3°	125.0°
CAA	CAR	NAM	125.6°	126.6°
CAR	CAA	HAA1	109.5°	109.5°
CAR	CAA	HAA2	109.5°	109.5°
CAR	CAA	HAA3	109.5°	109.5°
CAR	NAM	NAN	108.0°	110.0°
NAM	NAN	CAT	107.4°	109.7°
NAN	CAT	CAK	128.8°	127.9°
CAT	CAK	NAL	109.8°	109.1°
CAT	CAK	HAK1	109.4°	109.6°
CAT	CAK	HAK2	109.4°	109.5°
CAK	NAL	CAO	118.7°	122.4°
NAL	CAK	HAK1	109.4°	109.5°
NAL	CAK	HAK2	109.4°	109.5°
NAL	CAO	CAQ	116.2°	117.0°
CAO	CAQ	CAF	120.1°	120.1°
CAO	CAQ	CAG	121.3°	120.1°
CAF	CAQ	CAG	118.5°	119.8°
CAQ	CAF	CAD	120.5°	119.8°
CAQ	CAF	HAF	119.8°	120.1°
CAQ	CAG	CAE	120.5°	119.8°
CAQ	CAG	HAG	119.7°	120.1°
CAF	CAD	CAC	120.3°	120.1°
CAD	CAF	HAF	119.7°	120.0°
CAF	CAD	HAD	119.9°	119.9°
CAD	CAC	CAE	119.8°	120.2°
CAC	CAD	HAD	119.8°	119.9°
CAD	CAC	HAC	120.0°	119.9°
CAC	CAE	CAG	120.3°	120.2°
CAE	CAC	HAC	120.1°	119.9°
CAC	CAE	HAE	119.9°	119.9°
CAE	CAG	HAG	119.8°	120.1°
CAG	CAE	HAE	119.8°	119.9°
HAA1	CAA	HAA2	109.5°	109.4°
HAA1	CAA	HAA3	109.5°	109.5°
HAA2	CAA	HAA3	109.4°	109.4°
HAK1	CAK	HAK2	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAJ	CAS	CAU	CAO	178.7°	178.3°
CAS	CAJ	CAP	HAJ	180.0°	180.0°
CAS	CAJ	CAP	S	0.1°	0.2°
CAJ	CAS	CAU	NAV	179.8°	177.5°
CAJ	CAS	CAU	S	0.1°	2.0°
CAJ	CAS	CAO	NAL	144.0°	144.0°
CAJ	CAS	CAO	CAQ	40.5°	36.0°
CAS	CAJ	CAP	HAP	179.9°	179.8°
CAU	CAS	CAJ	CAP	0.1°	1.5°
CAS	CAU	S	CAP	0.0°	1.6°
CAS	CAU	NAV	S	179.9°	179.4°
CAS	CAU	NAV	CAR	143.8°	146.7°
CAS	CAU	NAV	CAT	38.4°	33.6°
CAU	CAS	CAO	NAL	37.4°	37.9°
CAU	CAS	CAO	CAQ	138.0°	142.1°
CAU	CAS	CAJ	HAJ	179.9°	178.5°
CAO	CAS	CAJ	CAP	178.6°	176.8°
CAO	CAS	CAU	NAV	1.4°	4.2°
CAO	CAS	CAU	S	178.7°	176.3°
CAS	CAO	NAL	CAK	5.8°	4.8°
CAS	CAO	NAL	CAQ	175.5°	180.0°
CAS	CAO	CAQ	CAF	156.5°	157.0°
CAS	CAO	CAQ	CAG	26.6°	23.3°
CAO	CAS	CAJ	HAJ	1.4°	3.2°
CAJ	CAP	S	HAP	180.0°	180.0°
CAJ	CAP	S	CAU	0.1°	0.8°
CAP	S	CAU	NAV	179.9°	177.9°
S	CAP	CAJ	HAJ	179.9°	179.7°
CAU	NAV	CAR	CAT	178.1°	179.7°
CAU	NAV	CAR	CAA	4.0°	0.9°
CAU	NAV	CAR	NAM	177.4°	179.2°
CAU	NAV	CAT	NAN	177.6°	179.0°
CAU	NAV	CAT	CAK	3.1°	1.4°
S	CAU	NAV	CAR	36.3°	33.8°
S	CAU	NAV	CAT	141.5°	145.8°
CAU	S	CAP	HAP	179.9°	179.2°
NAV	CAR	CAA	NAM	178.4°	180.0°
NAV	CAR	NAM	NAN	0.5°	0.2°
CAR	NAV	CAT	NAN	0.7°	0.7°
CAR	NAV	CAT	CAK	178.6°	178.9°
NAV	CAR	CAA	HAA1	178.4°	90.0°
NAV	CAR	CAA	HAA2	58.4°	150.0°
NAV	CAR	CAA	HAA3	61.5°	30.0°
CAT	NAV	CAR	CAA	177.9°	179.5°
CAT	NAV	CAR	NAM	0.7°	0.5°
NAV	CAT	NAN	NAM	0.4°	0.5°
NAV	CAT	NAN	CAK	179.3°	179.5°
NAV	CAT	CAK	NAL	64.2°	59.5°
NAV	CAT	CAK	HAK1	175.7°	60.4°
NAV	CAT	CAK	HAK2	55.8°	179.3°
CAA	CAR	NAM	NAN	178.1°	179.8°
CAR	CAA	HAA1	HAA2	120.0°	120.0°
CAR	CAA	HAA1	HAA3	120.0°	120.0°
CAR	CAA	HAA2	HAA3	120.0°	120.0°
CAR	NAM	NAN	CAT	0.0°	0.2°
NAM	CAR	CAA	HAA1	0.0°	90.0°
NAM	CAR	CAA	HAA2	120.0°	30.0°
NAM	CAR	CAA	HAA3	120.0°	150.0°
NAM	NAN	CAT	CAK	178.8°	179.0°
NAN	CAT	CAK	NAL	115.0°	120.0°
NAN	CAT	CAK	HAK1	5.1°	120.1°
NAN	CAT	CAK	HAK2	125.0°	0.2°
CAT	CAK	NAL	HAK1	120.1°	119.9°
CAT	CAK	NAL	HAK2	120.1°	119.8°
CAT	CAK	NAL	CAO	68.9°	62.6°
CAT	CAK	HAK1	HAK2	119.9°	120.2°
CAK	NAL	CAO	CAQ	178.8°	175.2°
NAL	CAK	HAK1	HAK2	119.8°	120.1°
NAL	CAO	CAQ	CAF	27.6°	23.0°
NAL	CAO	CAQ	CAG	149.2°	156.7°
CAO	NAL	CAK	HAK1	171.0°	57.4°
CAO	NAL	CAK	HAK2	51.2°	177.6°
CAO	CAQ	CAF	CAG	176.9°	179.7°
CAO	CAQ	CAF	CAD	176.0°	179.9°
CAO	CAQ	CAG	CAE	176.1°	179.8°
CAO	CAQ	CAF	HAF	4.0°	0.1°
CAO	CAQ	CAG	HAG	3.9°	0.0°
CAQ	CAF	CAD	HAF	180.0°	180.0°
CAQ	CAF	CAD	CAC	0.4°	0.0°
CAF	CAQ	CAG	CAE	0.8°	0.5°
CAF	CAQ	CAG	HAG	179.2°	179.7°
CAQ	CAF	CAD	HAD	179.6°	179.9°
CAG	CAQ	CAF	CAD	0.9°	0.2°
CAQ	CAG	CAE	CAC	0.0°	0.5°
CAQ	CAG	CAE	HAG	180.0°	179.8°
CAG	CAQ	CAF	HAF	179.1°	179.8°
CAQ	CAG	CAE	HAE	180.0°	179.7°
CAF	CAD	CAC	HAD	180.0°	179.9°
CAF	CAD	CAC	CAE	0.3°	0.0°
CAF	CAD	CAC	HAC	179.7°	180.0°
CAD	CAC	CAE	HAC	180.0°	180.0°
CAD	CAC	CAE	CAG	0.5°	0.3°
CAC	CAD	CAF	HAF	179.6°	180.0°
CAD	CAC	CAE	HAE	179.5°	180.0°
CAC	CAE	CAG	HAE	180.0°	179.8°
CAC	CAE	CAG	HAG	179.9°	179.7°
CAE	CAC	CAD	HAD	179.7°	179.9°
CAG	CAE	CAC	HAC	179.5°	179.8°
HAJ	CAJ	CAP	HAP	0.1°	0.3°
HAA1	CAA	HAA2	HAA3	120.0°	119.9°
HAF	CAF	CAD	HAD	0.4°	0.1°
HAG	CAG	CAE	HAE	0.1°	0.0°
HAD	CAD	CAC	HAC	0.3°	0.1°
HAC	CAC	CAE	HAE	0.5°	0.0°

Release date:	2013-10-02
Definition date:	2013-09-17
Last modified:	2014-04-28
Release status:	REL
Processing site:	EBI
Derived from:	4C67