JM6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OA2	C	doub	1.21Å	1.23Å
CA	C	sing	1.51Å	1.50Å
C	OA1	sing	1.34Å	1.25Å
N	CA	sing	1.47Å	1.45Å
N	HN	sing	1.01Å	1.00Å
N	HNA	sing	1.01Å	1.00Å
NH1	C1	doub	1.29Å	1.24Å
NE	C1	sing	1.37Å	1.34Å
C1	C2	sing	1.51Å	1.52Å
C2	C3	sing	1.53Å	1.51Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
C4	C3	sing	1.53Å	1.51Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
C4	S5	sing	1.81Å	1.75Å
C4	H4	sing	1.09Å	1.10Å
C4	H4A	sing	1.09Å	1.10Å
S5	C6	sing	1.81Å	1.76Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
C6	H6B	sing	1.09Å	1.10Å
CA	CB	sing	1.53Å	1.52Å
CA	HA	sing	1.09Å	1.10Å
CG	CB	sing	1.53Å	1.52Å
CB	HB	sing	1.09Å	1.10Å
CB	HBA	sing	1.09Å	1.10Å
CG	CD	sing	1.53Å	1.52Å
NE	CD	sing	1.47Å	1.45Å
CD	HD	sing	1.09Å	1.10Å
CD	HDA	sing	1.09Å	1.10Å
NE	HNE	sing	0.97Å	1.00Å
CG	HG	sing	1.09Å	1.10Å
CG	HGA	sing	1.09Å	1.10Å
OA1	HOA1	sing	0.97Å	0.95Å
NH1	HNH1	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OA2	C	CA	116.6°	120.0°
OA2	C	OA1	121.4°	120.0°
CA	C	OA1	122.1°	120.0°
C	CA	N	109.9°	109.4°
C	CA	CB	108.1°	109.4°
C	CA	HA	110.6°	109.5°
C	OA1	HOA1	109.5°	116.9°
CA	N	HN	109.5°	111.0°
CA	N	HNA	109.5°	111.0°
N	CA	CB	110.8°	109.5°
N	CA	HA	107.9°	109.5°
HN	N	HNA	109.5°	110.9°
NH1	C1	NE	121.4°	120.0°
NH1	C1	C2	114.9°	120.0°
C1	NH1	HNH1	112.0°	120.0°
NE	C1	C2	123.7°	119.9°
C1	NE	CD	121.0°	120.0°
C1	NE	HNE	119.5°	120.0°
C1	C2	C3	117.4°	109.4°
C1	C2	H2	106.9°	109.4°
C1	C2	H2A	106.9°	109.4°
C3	C2	H2	106.9°	109.5°
C3	C2	H2A	106.9°	109.5°
C2	C3	C4	111.9°	109.5°
C2	C3	H3	108.7°	109.5°
C2	C3	H3A	108.7°	109.5°
H2	C2	H2A	111.9°	109.5°
C4	C3	H3	108.7°	109.4°
C4	C3	H3A	108.7°	109.5°
C3	C4	S5	103.3°	109.5°
C3	C4	H4	111.6°	109.4°
C3	C4	H4A	111.6°	109.5°
H3	C3	H3A	110.2°	109.5°
S5	C4	H4	111.6°	109.4°
S5	C4	H4A	111.6°	109.5°
C4	S5	C6	111.6°	103.0°
H4	C4	H4A	107.3°	109.5°
S5	C6	H6	109.5°	109.5°
S5	C6	H6A	109.5°	109.5°
S5	C6	H6B	109.5°	109.5°
H6	C6	H6A	109.4°	109.5°
H6	C6	H6B	109.5°	109.5°
H6A	C6	H6B	109.5°	109.4°
CB	CA	HA	109.7°	109.5°
CA	CB	CG	113.9°	109.4°
CA	CB	HB	108.0°	109.5°
CA	CB	HBA	108.0°	109.5°
CG	CB	HB	108.0°	109.5°
CG	CB	HBA	108.0°	109.5°
CB	CG	CD	101.7°	109.4°
CB	CG	HG	112.2°	109.5°
CB	CG	HGA	112.2°	109.5°
HB	CB	HBA	110.9°	109.5°
CG	CD	NE	117.5°	109.4°
CG	CD	HD	106.9°	109.5°
CG	CD	HDA	106.9°	109.5°
CD	CG	HG	112.1°	109.5°
CD	CG	HGA	112.1°	109.5°
NE	CD	HD	106.8°	109.5°
NE	CD	HDA	106.9°	109.5°
CD	NE	HNE	119.5°	120.0°
HD	CD	HDA	111.9°	109.5°
HG	CG	HGA	106.6°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OA2	C	CA	OA1	179.4°	179.7°
OA2	C	CA	N	9.0°	20.3°
OA2	C	CA	CB	129.9°	99.7°
OA2	C	CA	HA	110.0°	140.3°
OA2	C	OA1	HOA1	0.0°	0.3°
C	CA	N	CB	119.3°	120.0°
C	CA	N	HA	120.6°	120.0°
C	CA	N	HN	180.0°	60.0°
C	CA	N	HNA	60.0°	176.1°
C	CA	CB	HA	120.6°	120.0°
C	CA	CB	CG	178.5°	175.0°
C	CA	CB	HB	58.5°	65.0°
C	CA	CB	HBA	61.5°	55.0°
CA	C	OA1	HOA1	179.4°	180.0°
OA1	C	CA	N	170.4°	160.0°
OA1	C	CA	CB	49.5°	80.0°
OA1	C	CA	HA	70.6°	40.0°
CA	N	HN	HNA	120.0°	123.9°
N	CA	CB	HA	119.0°	120.0°
N	CA	CB	CG	58.1°	65.0°
N	CA	CB	HB	61.9°	55.0°
N	CA	CB	HBA	178.1°	175.0°
HN	N	CA	CB	60.7°	60.0°
HN	N	CA	HA	59.4°	180.0°
HNA	N	CA	CB	179.3°	63.9°
HNA	N	CA	HA	60.6°	56.1°
NH1	C1	NE	C2	179.0°	180.0°
NH1	C1	C2	C3	135.9°	0.0°
NH1	C1	C2	H2	15.9°	120.0°
NH1	C1	C2	H2A	104.1°	120.0°
NH1	C1	NE	CD	124.9°	0.0°
NH1	C1	NE	HNE	55.1°	180.0°
NE	C1	C2	C3	45.1°	180.0°
NE	C1	C2	H2	165.1°	60.0°
NE	C1	C2	H2A	74.9°	60.1°
C1	NE	CD	CG	144.5°	180.0°
C1	NE	CD	HNE	180.0°	180.0°
C1	NE	CD	HD	24.5°	60.0°
C1	NE	CD	HDA	95.5°	60.0°
NE	C1	NH1	HNH1	179.0°	179.9°
C1	C2	C3	H2	120.0°	120.0°
C1	C2	C3	H2A	120.0°	119.9°
C1	C2	H2	H2A	116.7°	120.0°
C1	C2	C3	C4	10.5°	180.0°
C1	C2	C3	H3	109.5°	60.0°
C1	C2	C3	H3A	130.5°	60.0°
C2	C1	NE	CD	54.1°	180.0°
C2	C1	NE	HNE	125.9°	0.0°
C2	C1	NH1	HNH1	0.0°	0.0°
C3	C2	H2	H2A	116.8°	120.1°
C2	C3	C4	H3	120.0°	120.0°
C2	C3	C4	H3A	120.0°	120.1°
C2	C3	H3	H3A	119.0°	120.1°
C2	C3	C4	S5	101.1°	180.0°
C2	C3	C4	H4	18.9°	60.0°
C2	C3	C4	H4A	138.9°	59.9°
H2	C2	C3	C4	130.5°	60.1°
H2	C2	C3	H3	10.5°	180.0°
H2	C2	C3	H3A	109.5°	60.0°
H2A	C2	C3	C4	109.4°	60.0°
H2A	C2	C3	H3	130.5°	59.9°
H2A	C2	C3	H3A	10.6°	179.9°
C4	C3	H3	H3A	119.0°	120.0°
C3	C4	S5	H4	120.0°	119.9°
C3	C4	S5	H4A	120.0°	120.1°
C3	C4	H4	H4A	122.5°	120.0°
C3	C4	S5	C6	8.6°	180.0°
H3	C3	C4	S5	138.9°	60.1°
H3	C3	C4	H4	101.1°	180.0°
H3	C3	C4	H4A	18.9°	60.0°
H3A	C3	C4	S5	18.9°	59.9°
H3A	C3	C4	H4	138.9°	60.0°
H3A	C3	C4	H4A	101.1°	180.0°
S5	C4	H4	H4A	122.5°	120.0°
C4	S5	C6	H6	180.0°	60.0°
C4	S5	C6	H6A	60.0°	60.0°
C4	S5	C6	H6B	60.0°	179.9°
H4	C4	S5	C6	128.6°	60.0°
H4A	C4	S5	C6	111.4°	60.0°
S5	C6	H6	H6A	120.0°	120.0°
S5	C6	H6	H6B	120.0°	120.0°
S5	C6	H6A	H6B	120.0°	120.0°
H6	C6	H6A	H6B	120.0°	120.0°
CA	CB	CG	HB	120.0°	120.0°
CA	CB	CG	HBA	120.0°	120.0°
CA	CB	HB	HBA	118.2°	120.0°
CA	CB	CG	CD	164.3°	180.0°
CA	CB	CG	HG	75.7°	60.0°
CA	CB	CG	HGA	44.3°	60.0°
HA	CA	CB	CG	60.9°	55.0°
HA	CA	CB	HB	179.1°	175.0°
HA	CA	CB	HBA	59.1°	65.0°
CG	CB	HB	HBA	118.1°	120.0°
CB	CG	CD	HG	120.0°	120.0°
CB	CG	CD	HGA	120.0°	120.0°
CB	CG	CD	NE	105.5°	180.0°
CB	CG	CD	HD	14.5°	60.0°
CB	CG	CD	HDA	134.5°	60.0°
CB	CG	HG	HGA	123.2°	120.0°
HB	CB	CG	CD	44.3°	60.0°
HB	CB	CG	HG	164.3°	180.0°
HB	CB	CG	HGA	75.8°	59.9°
HBA	CB	CG	CD	75.7°	60.0°
HBA	CB	CG	HG	44.3°	60.0°
HBA	CB	CG	HGA	164.3°	180.0°
CG	CD	NE	HD	120.0°	120.1°
CG	CD	NE	HDA	120.0°	120.0°
CG	CD	HD	HDA	116.7°	120.0°
CG	CD	NE	HNE	35.5°	0.0°
CD	CG	HG	HGA	123.1°	120.0°
NE	CD	HD	HDA	116.7°	120.0°
NE	CD	CG	HG	134.5°	60.0°
NE	CD	CG	HGA	14.5°	60.0°
HD	CD	NE	HNE	155.5°	120.0°
HD	CD	CG	HG	105.5°	60.0°
HD	CD	CG	HGA	134.5°	180.0°
HDA	CD	NE	HNE	84.5°	120.0°
HDA	CD	CG	HG	14.5°	180.0°
HDA	CD	CG	HGA	105.5°	60.0°

Definition date:	2009-09-15
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3JT6