Obsolete: 9HE

9HE was replaced with KS1 on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
NAO	CAB	sing	1.37Å	1.41Å	Aromatic
NAO	CAT	sing	1.37Å	1.41Å	Aromatic
CAB	CAD	doub	1.34Å	1.38Å	Aromatic
CAT	NAM	doub	1.33Å	1.36Å	Aromatic
CAT	CAS	sing	1.41Å	1.42Å	Aromatic
NAM	CAE	sing	1.31Å	1.34Å	Aromatic
CAD	CAS	sing	1.46Å	1.44Å	Aromatic
CAS	CAF	doub	1.39Å	1.41Å	Aromatic
CAH	CAJ	sing	1.55Å	1.54Å
CAH	CAG	sing	1.54Å	1.52Å
CAE	CAP	doub	1.40Å	1.44Å	Aromatic
CAJ	CAW	sing	1.55Å	1.56Å
CAF	CAP	sing	1.39Å	1.38Å	Aromatic
CAP	CAR	sing	1.48Å	1.46Å
NAN	CAR	doub	1.31Å	1.35Å	Aromatic
NAN	NAX	sing	1.40Å	1.37Å	Aromatic
CAG	CAI	sing	1.54Å	1.50Å
CAR	C5	sing	1.46Å	1.45Å	Aromatic
CAW	NAX	sing	1.47Å	1.53Å
CAW	CAI	sing	1.54Å	1.48Å
NAX	C4	sing	1.36Å	1.37Å	Aromatic
C5	C4	doub	1.41Å	1.43Å	Aromatic
C5	C6	sing	1.41Å	1.43Å	Aromatic
C4	N3	sing	1.33Å	1.36Å	Aromatic
NAA	C6	sing	1.38Å	1.40Å
C6	N1	doub	1.33Å	1.35Å	Aromatic
N3	C2	doub	1.31Å	1.34Å	Aromatic
N1	C2	sing	1.32Å	1.38Å	Aromatic
CAI	H1	sing	1.09Å	1.10Å
CAI	H2	sing	1.09Å	1.10Å
CAG	H3	sing	1.09Å	1.10Å
CAG	H4	sing	1.09Å	1.10Å
CAH	H5	sing	1.09Å	1.10Å
CAH	H6	sing	1.09Å	1.10Å
CAJ	H7	sing	1.09Å	1.10Å
CAJ	H8	sing	1.09Å	1.10Å
CAW	H9	sing	1.09Å	1.10Å
C2	H10	sing	1.08Å	1.08Å
NAA	H11	sing	0.97Å	1.00Å
NAA	H12	sing	0.97Å	1.00Å
CAF	H13	sing	1.08Å	1.08Å
CAD	H14	sing	1.08Å	1.08Å
CAB	H15	sing	1.08Å	1.08Å
NAO	H16	sing	0.97Å	1.00Å
CAE	H17	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAB	NAO	CAT	107.2°	110.0°
NAO	CAB	CAD	109.3°	109.9°
NAO	CAB	H15	125.3°	125.0°
CAB	NAO	H16	126.4°	124.9°
NAO	CAT	NAM	125.8°	133.0°
NAO	CAT	CAS	109.1°	107.0°
CAT	NAO	H16	126.4°	125.0°
CAB	CAD	CAS	108.4°	106.9°
CAB	CAD	H14	125.8°	126.5°
CAD	CAB	H15	125.3°	125.1°
NAM	CAT	CAS	125.1°	120.1°
CAT	NAM	CAE	114.5°	121.9°
CAT	CAS	CAD	106.0°	106.2°
CAT	CAS	CAF	118.6°	119.6°
NAM	CAE	CAP	125.2°	121.4°
NAM	CAE	H17	117.4°	119.3°
CAD	CAS	CAF	135.4°	134.2°
CAS	CAD	H14	125.8°	126.6°
CAS	CAF	CAP	117.7°	117.9°
CAS	CAF	H13	121.2°	121.0°
CAJ	CAH	CAG	105.8°	104.2°
CAH	CAJ	CAW	105.4°	102.8°
CAJ	CAH	H5	110.4°	110.5°
CAJ	CAH	H6	110.4°	110.5°
CAH	CAJ	H7	110.5°	110.8°
CAH	CAJ	H8	110.5°	110.8°
CAH	CAG	CAI	106.9°	106.6°
CAH	CAG	H3	110.1°	110.0°
CAH	CAG	H4	110.1°	110.1°
CAG	CAH	H5	110.4°	110.5°
CAG	CAH	H6	110.4°	110.4°
CAE	CAP	CAF	118.9°	119.2°
CAE	CAP	CAR	115.2°	120.4°
CAP	CAE	H17	117.4°	119.3°
CAJ	CAW	NAX	112.4°	110.5°
CAJ	CAW	CAI	106.1°	104.2°
CAW	CAJ	H7	110.5°	110.7°
CAW	CAJ	H8	110.5°	110.7°
CAJ	CAW	H9	107.4°	110.5°
CAF	CAP	CAR	125.8°	120.4°
CAP	CAF	H13	121.2°	121.1°
CAP	CAR	NAN	122.2°	126.3°
CAP	CAR	C5	128.8°	126.3°
CAR	NAN	NAX	108.5°	109.9°
NAN	CAR	C5	108.9°	107.4°
NAN	NAX	CAW	124.9°	125.3°
NAN	NAX	C4	110.8°	109.4°
CAG	CAI	CAW	105.1°	106.6°
CAG	CAI	H1	110.6°	110.0°
CAG	CAI	H2	110.6°	110.0°
CAI	CAG	H3	110.1°	110.0°
CAI	CAG	H4	110.1°	110.1°
CAR	C5	C4	104.9°	106.4°
CAR	C5	C6	139.5°	135.0°
NAX	CAW	CAI	114.5°	110.5°
CAW	NAX	C4	124.3°	125.3°
NAX	CAW	H9	107.8°	110.4°
CAW	CAI	H1	110.5°	110.1°
CAW	CAI	H2	110.5°	110.1°
CAI	CAW	H9	108.4°	110.5°
NAX	C4	C5	107.0°	106.9°
NAX	C4	N3	128.1°	134.5°
C4	C5	C6	115.7°	118.5°
C5	C4	N3	125.0°	118.6°
C5	C6	NAA	119.7°	120.8°
C5	C6	N1	120.2°	118.3°
C4	N3	C2	113.1°	120.7°
NAA	C6	N1	120.1°	120.9°
C6	NAA	H11	109.5°	120.0°
C6	NAA	H12	109.4°	120.0°
C6	N1	C2	117.7°	121.1°
N3	C2	N1	128.3°	122.7°
N3	C2	H10	115.9°	118.7°
N1	C2	H10	115.8°	118.6°
H1	CAI	H2	109.5°	110.0°
H3	CAG	H4	109.5°	110.0°
H5	CAH	H6	109.5°	110.6°
H7	CAJ	H8	109.5°	110.8°
H11	NAA	H12	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAB	NAO	CAT	H16	180.0°	180.0°
NAO	CAB	CAD	H15	180.0°	180.0°
CAB	NAO	CAT	NAM	179.7°	179.9°
CAB	NAO	CAT	CAS	0.5°	0.0°
NAO	CAB	CAD	CAS	0.3°	0.0°
NAO	CAB	CAD	H14	179.7°	180.0°
CAT	NAO	CAB	CAD	0.1°	0.0°
NAO	CAT	NAM	CAS	179.1°	179.9°
NAO	CAT	NAM	CAE	179.8°	179.8°
NAO	CAT	CAS	CAD	0.7°	0.0°
NAO	CAT	CAS	CAF	179.1°	179.9°
CAT	NAO	CAB	H15	179.9°	180.0°
CAB	CAD	CAS	CAT	0.6°	0.0°
CAB	CAD	CAS	H14	180.0°	180.0°
CAB	CAD	CAS	CAF	178.6°	179.9°
CAD	CAB	NAO	H16	179.9°	180.0°
NAM	CAT	CAS	CAD	179.9°	180.0°
NAM	CAT	CAS	CAF	1.7°	0.0°
CAT	NAM	CAE	CAP	0.3°	0.5°
NAM	CAT	NAO	H16	0.3°	0.1°
CAT	NAM	CAE	H17	179.7°	180.0°
CAS	CAT	NAM	CAE	1.1°	0.3°
CAT	CAS	CAD	CAF	178.0°	180.0°
CAT	CAS	CAF	CAP	1.4°	0.0°
CAT	CAS	CAF	H13	178.6°	180.0°
CAT	CAS	CAD	H14	179.4°	180.0°
CAS	CAT	NAO	H16	179.5°	180.0°
NAM	CAE	CAP	H17	180.0°	179.5°
NAM	CAE	CAP	CAF	0.1°	0.5°
NAM	CAE	CAP	CAR	179.9°	179.7°
CAD	CAS	CAF	CAP	179.2°	180.0°
CAD	CAS	CAF	H13	0.8°	0.0°
CAS	CAD	CAB	H15	179.7°	180.0°
CAS	CAF	CAP	CAE	0.7°	0.2°
CAS	CAF	CAP	H13	180.0°	180.0°
CAS	CAF	CAP	CAR	179.4°	180.0°
CAF	CAS	CAD	H14	1.4°	0.0°
CAJ	CAH	CAG	H5	119.4°	118.7°
CAJ	CAH	CAG	H6	119.4°	118.7°
CAH	CAJ	CAW	H7	119.3°	118.3°
CAH	CAJ	CAW	H8	119.4°	118.3°
CAJ	CAH	CAG	CAI	19.6°	23.6°
CAH	CAJ	CAW	NAX	106.6°	156.6°
CAH	CAJ	CAW	CAI	19.3°	37.9°
CAJ	CAH	CAG	H3	139.3°	95.7°
CAJ	CAH	CAG	H4	100.0°	143.0°
CAJ	CAH	H5	H6	121.7°	122.7°
CAH	CAJ	H7	H8	121.9°	123.4°
CAH	CAJ	CAW	H9	135.0°	80.8°
CAG	CAH	CAJ	CAW	0.3°	37.9°
CAH	CAG	CAI	H3	119.6°	119.3°
CAH	CAG	CAI	H4	119.6°	119.4°
CAH	CAG	CAI	CAW	32.1°	0.0°
CAH	CAG	CAI	H1	87.2°	119.4°
CAH	CAG	CAI	H2	151.4°	119.4°
CAH	CAG	H3	H4	121.1°	121.5°
CAG	CAH	H5	H6	121.7°	122.5°
CAG	CAH	CAJ	H7	119.0°	80.4°
CAG	CAH	CAJ	H8	119.7°	156.3°
CAE	CAP	CAF	CAR	179.9°	179.8°
CAE	CAP	CAR	NAN	119.6°	44.2°
CAE	CAP	CAR	C5	59.6°	135.6°
CAE	CAP	CAF	H13	179.3°	179.8°
CAJ	CAW	NAX	NAN	38.4°	59.6°
CAJ	CAW	CAI	CAG	31.5°	23.6°
CAJ	CAW	NAX	CAI	121.2°	114.8°
CAJ	CAW	NAX	H9	118.2°	122.6°
CAJ	CAW	CAI	H9	115.1°	118.7°
CAJ	CAW	NAX	C4	138.6°	120.0°
CAJ	CAW	CAI	H1	87.8°	142.9°
CAJ	CAW	CAI	H2	150.9°	95.7°
CAW	CAJ	CAH	H5	119.1°	156.6°
CAW	CAJ	CAH	H6	119.8°	80.7°
CAW	CAJ	H7	H8	121.9°	123.3°
CAF	CAP	CAR	NAN	60.3°	135.6°
CAF	CAP	CAR	C5	120.5°	44.6°
CAF	CAP	CAE	H17	179.9°	179.9°
CAP	CAR	NAN	C5	179.3°	179.9°
CAP	CAR	NAN	NAX	179.9°	180.0°
CAP	CAR	C5	C4	179.8°	179.9°
CAP	CAR	C5	C6	1.5°	0.1°
CAR	CAP	CAF	H13	0.7°	0.0°
CAR	CAP	CAE	H17	0.1°	0.2°
CAR	NAN	NAX	CAW	177.7°	180.0°
CAR	NAN	NAX	C4	0.3°	0.3°
NAN	CAR	C5	C4	0.5°	0.1°
NAN	CAR	C5	C6	179.2°	179.8°
NAX	NAN	CAR	C5	0.6°	0.2°
NAN	NAX	CAW	C4	177.0°	179.7°
NAN	NAX	CAW	CAI	82.8°	55.1°
NAN	NAX	C4	C5	0.0°	0.2°
NAN	NAX	C4	N3	179.8°	179.7°
NAN	NAX	CAW	H9	156.6°	177.7°
CAG	CAI	CAW	NAX	93.1°	142.3°
CAG	CAI	CAW	H1	119.3°	119.3°
CAG	CAI	CAW	H2	119.3°	119.3°
CAG	CAI	H1	H2	122.1°	121.3°
CAI	CAG	H3	H4	121.2°	121.4°
CAI	CAG	CAH	H5	99.8°	142.3°
CAI	CAG	CAH	H6	139.1°	95.1°
CAG	CAI	CAW	H9	146.6°	95.2°
CAR	C5	C4	NAX	0.3°	0.1°
CAR	C5	C4	C6	179.1°	179.9°
CAR	C5	C4	N3	179.9°	179.8°
CAR	C5	C6	NAA	1.1°	0.2°
CAR	C5	C6	N1	179.0°	179.8°
NAX	CAW	CAI	H9	120.3°	122.6°
CAW	NAX	C4	C5	177.3°	179.9°
CAW	NAX	C4	N3	2.5°	0.1°
NAX	CAW	CAI	H1	147.6°	98.4°
NAX	CAW	CAI	H2	26.3°	23.0°
NAX	CAW	CAJ	H7	12.7°	38.3°
NAX	CAW	CAJ	H8	134.0°	85.0°
CAI	CAW	NAX	C4	100.2°	125.2°
CAW	CAI	H1	H2	122.0°	121.4°
CAW	CAI	CAG	H3	151.8°	119.3°
CAW	CAI	CAG	H4	87.5°	119.4°
CAI	CAW	CAJ	H7	138.6°	80.4°
CAI	CAW	CAJ	H8	100.1°	156.3°
NAX	C4	C5	N3	179.8°	179.9°
NAX	C4	C5	C6	179.4°	180.0°
NAX	C4	N3	C2	179.8°	179.9°
C4	NAX	CAW	H9	20.4°	2.6°
C4	C5	C6	NAA	179.7°	180.0°
C4	C5	C6	N1	0.5°	0.0°
C5	C4	N3	C2	0.5°	0.1°
C6	C5	C4	N3	0.8°	0.1°
C5	C6	NAA	N1	179.8°	180.0°
C5	C6	N1	C2	0.2°	0.0°
C5	C6	NAA	H11	179.9°	163.7°
C5	C6	NAA	H12	60.1°	16.4°
C4	N3	C2	N1	0.3°	0.1°
C4	N3	C2	H10	179.7°	180.0°
NAA	C6	N1	C2	179.7°	180.0°
C6	NAA	H11	H12	120.0°	179.9°
C6	N1	C2	N3	0.6°	0.0°
C6	N1	C2	H10	179.4°	180.0°
N1	C6	NAA	H11	0.0°	16.3°
N1	C6	NAA	H12	120.0°	163.6°
N3	C2	N1	H10	180.0°	180.0°
H1	CAI	CAG	H3	32.5°	121.4°
H1	CAI	CAG	H4	153.2°	0.0°
H1	CAI	CAW	H9	27.3°	24.2°
H2	CAI	CAG	H3	88.9°	0.1°
H2	CAI	CAG	H4	31.8°	121.3°
H2	CAI	CAW	H9	94.1°	145.5°
H3	CAG	CAH	H5	19.9°	23.0°
H3	CAG	CAH	H6	101.3°	145.7°
H4	CAG	CAH	H5	140.6°	98.3°
H4	CAG	CAH	H6	19.5°	24.3°
H5	CAH	CAJ	H7	121.6°	38.3°
H5	CAH	CAJ	H8	0.3°	85.1°
H6	CAH	CAJ	H7	0.4°	161.0°
H6	CAH	CAJ	H8	120.8°	37.6°
H7	CAJ	CAW	H9	105.7°	160.9°
H8	CAJ	CAW	H9	15.6°	37.5°
H14	CAD	CAB	H15	0.4°	0.0°
H15	CAB	NAO	H16	0.1°	0.0°

Release date:	2017-06-28
Definition date:	2017-05-19
Last modified:	2017-07-19
Release status:	OBS
Processing site:	EBI
Replaced by:	KS1
Derived from:	5O2B