JM5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	OA2	sing	1.34Å	1.24Å
N	CA	sing	1.47Å	1.45Å
N	HN	sing	1.01Å	1.00Å
N	HNA	sing	1.01Å	1.00Å
C1	C2	sing	1.51Å	1.35Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
S3	C2	sing	1.81Å	1.77Å
S3	C4	sing	1.81Å	1.76Å
C4	C5	sing	1.53Å	1.52Å
C4	H4	sing	1.09Å	1.10Å
C4	H4A	sing	1.09Å	1.10Å
C5	C6	sing	1.53Å	1.51Å
C5	H5	sing	1.09Å	1.10Å
C5	H5A	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
C6	H6B	sing	1.09Å	1.10Å
CA	C	sing	1.51Å	1.52Å
CA	CB	sing	1.53Å	1.54Å
CA	HA	sing	1.09Å	1.10Å
CB	HB	sing	1.09Å	1.10Å
CB	HBA	sing	1.09Å	1.10Å
CD	HD	sing	1.09Å	1.10Å
NE	C1	sing	1.37Å	1.35Å
NE	CD	sing	1.47Å	1.29Å
CG	CB	sing	1.53Å	1.52Å
CG	CD	sing	1.53Å	1.52Å
CG	HG	sing	1.09Å	1.10Å
CG	HGA	sing	1.09Å	1.10Å
NH	C1	doub	1.29Å	1.26Å
NH	HNH	sing	0.97Å	1.00Å
OA1	C	doub	1.21Å	1.24Å
OA2	HOA2	sing	0.97Å	0.95Å
CD	H20	sing	1.09Å	1.10Å
NE	H21	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OA2	C	CA	120.1°	120.0°
OA2	C	OA1	118.8°	120.0°
C	OA2	HOA2	109.5°	117.0°
CA	N	HN	109.5°	111.0°
CA	N	HNA	109.4°	111.0°
N	CA	C	111.2°	109.5°
N	CA	CB	110.2°	109.5°
N	CA	HA	107.6°	109.4°
HN	N	HNA	109.5°	110.9°
C1	C2	H2	106.0°	109.5°
C1	C2	H2A	106.0°	109.5°
C1	C2	S3	120.4°	109.5°
C2	C1	NE	121.7°	119.9°
C2	C1	NH	116.7°	120.0°
H2	C2	H2A	112.7°	109.5°
H2	C2	S3	106.0°	109.5°
H2A	C2	S3	106.0°	109.4°
C2	S3	C4	110.9°	103.0°
S3	C4	C5	108.8°	109.5°
S3	C4	H4	109.7°	109.5°
S3	C4	H4A	109.7°	109.5°
C5	C4	H4	109.7°	109.4°
C5	C4	H4A	109.7°	109.5°
C4	C5	C6	109.7°	109.5°
C4	C5	H5	109.4°	109.5°
C4	C5	H5A	109.4°	109.5°
H4	C4	H4A	109.2°	109.4°
C6	C5	H5	109.4°	109.4°
C6	C5	H5A	109.4°	109.4°
C5	C6	H6	109.5°	109.5°
C5	C6	H6A	109.4°	109.4°
C5	C6	H6B	109.5°	109.5°
H5	C5	H5A	109.5°	109.5°
H6	C6	H6A	109.5°	109.4°
H6	C6	H6B	109.4°	109.5°
H6A	C6	H6B	109.5°	109.5°
C	CA	CB	108.9°	109.5°
C	CA	HA	108.9°	109.5°
CA	C	OA1	121.0°	120.0°
CB	CA	HA	110.0°	109.5°
CA	CB	HB	107.5°	109.5°
CA	CB	HBA	107.4°	109.5°
CA	CB	CG	115.6°	109.5°
HB	CB	HBA	111.4°	109.5°
HB	CB	CG	107.5°	109.4°
HBA	CB	CG	107.5°	109.5°
HD	CD	NE	105.4°	109.5°
HD	CD	CG	105.4°	109.5°
HD	CD	H20	113.2°	109.5°
C1	NE	CD	124.6°	119.9°
NE	C1	NH	121.7°	120.1°
C1	NE	H21	117.7°	120.1°
NE	CD	CG	122.3°	109.5°
NE	CD	H20	105.4°	109.5°
CD	NE	H21	117.7°	120.0°
CB	CG	CD	109.2°	109.5°
CB	CG	HG	109.6°	109.4°
CB	CG	HGA	109.5°	109.5°
CD	CG	HG	109.5°	109.4°
CD	CG	HGA	109.6°	109.5°
CG	CD	H20	105.4°	109.4°
HG	CG	HGA	109.4°	109.5°
C1	NH	HNH	112.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OA2	C	CA	N	175.9°	160.0°
OA2	C	CA	OA1	178.1°	179.8°
OA2	C	CA	CB	54.3°	80.0°
OA2	C	CA	HA	65.7°	40.0°
CA	N	HN	HNA	120.0°	123.9°
N	CA	C	CB	121.6°	120.0°
N	CA	C	HA	118.4°	120.0°
N	CA	CB	HA	118.5°	119.9°
N	CA	CB	HB	59.0°	55.0°
N	CA	CB	HBA	179.0°	175.0°
N	CA	CB	CG	61.0°	64.9°
N	CA	C	OA1	2.2°	19.8°
HN	N	CA	C	180.0°	63.9°
HN	N	CA	CB	59.2°	176.1°
HN	N	CA	HA	60.8°	56.1°
HNA	N	CA	C	60.0°	60.0°
HNA	N	CA	CB	179.1°	60.0°
HNA	N	CA	HA	59.2°	180.0°
C1	C2	H2	H2A	115.5°	120.0°
C1	C2	H2	S3	129.0°	120.0°
C1	C2	H2A	S3	129.0°	120.0°
C1	C2	S3	C4	132.0°	180.0°
C2	C1	NE	NH	179.9°	180.0°
C2	C1	NE	CD	0.2°	180.0°
C2	C1	NH	HNH	179.9°	180.0°
C2	C1	NE	H21	179.8°	0.0°
H2	C2	H2A	S3	115.5°	120.0°
H2	C2	S3	C4	108.0°	60.0°
H2	C2	C1	NE	178.3°	60.0°
H2	C2	C1	NH	1.6°	120.0°
H2A	C2	S3	C4	11.9°	60.0°
H2A	C2	C1	NE	58.3°	60.0°
H2A	C2	C1	NH	121.6°	120.0°
C2	S3	C4	C5	20.3°	180.0°
C2	S3	C4	H4	99.7°	60.0°
C2	S3	C4	H4A	140.3°	60.0°
S3	C2	C1	NE	61.7°	180.0°
S3	C2	C1	NH	118.4°	0.0°
S3	C4	C5	H4	120.0°	120.0°
S3	C4	C5	H4A	120.0°	120.0°
S3	C4	H4	H4A	120.2°	120.0°
S3	C4	C5	C6	96.1°	180.0°
S3	C4	C5	H5	143.9°	60.0°
S3	C4	C5	H5A	23.9°	60.0°
C5	C4	H4	H4A	120.3°	119.9°
C4	C5	C6	H5	120.0°	120.0°
C4	C5	C6	H5A	120.0°	120.0°
C4	C5	H5	H5A	119.9°	120.0°
C4	C5	C6	H6	180.0°	60.0°
C4	C5	C6	H6A	60.0°	60.0°
C4	C5	C6	H6B	60.0°	180.0°
H4	C4	C5	C6	23.9°	60.0°
H4	C4	C5	H5	96.1°	179.9°
H4	C4	C5	H5A	143.9°	60.0°
H4A	C4	C5	C6	143.9°	60.0°
H4A	C4	C5	H5	23.9°	60.0°
H4A	C4	C5	H5A	96.1°	179.9°
C6	C5	H5	H5A	119.9°	119.9°
C5	C6	H6	H6A	120.0°	119.9°
C5	C6	H6	H6B	120.0°	120.1°
C5	C6	H6A	H6B	120.0°	120.1°
H5	C5	C6	H6	60.0°	180.0°
H5	C5	C6	H6A	180.0°	60.0°
H5	C5	C6	H6B	60.0°	60.0°
H5A	C5	C6	H6	60.0°	60.1°
H5A	C5	C6	H6A	60.0°	180.0°
H5A	C5	C6	H6B	180.0°	60.0°
H6	C6	H6A	H6B	120.0°	120.0°
C	CA	CB	HA	119.3°	120.0°
C	CA	CB	HB	63.2°	65.0°
C	CA	CB	HBA	56.8°	55.0°
C	CA	CB	CG	176.8°	175.0°
CA	C	OA2	HOA2	178.1°	179.9°
CA	CB	HB	HBA	117.5°	120.0°
CA	CB	HB	CG	125.0°	120.0°
CA	CB	HBA	CG	125.0°	120.0°
CA	CB	CG	CD	152.8°	179.9°
CA	CB	CG	HG	87.2°	60.0°
CA	CB	CG	HGA	32.9°	60.0°
CB	CA	C	OA1	123.8°	100.3°
HA	CA	CB	HB	177.5°	175.0°
HA	CA	CB	HBA	62.5°	65.0°
HA	CA	CB	CG	57.5°	55.0°
HA	CA	C	OA1	116.2°	139.7°
HB	CB	HBA	CG	117.5°	119.9°
HB	CB	CG	CD	32.8°	60.1°
HB	CB	CG	HG	152.8°	NaN°
HB	CB	CG	HGA	87.1°	60.0°
HBA	CB	CG	CD	87.2°	59.9°
HBA	CB	CG	HG	32.8°	60.0°
HBA	CB	CG	HGA	152.8°	180.0°
HD	CD	NE	C1	53.7°	60.0°
HD	CD	NE	CG	120.0°	120.0°
HD	CD	NE	H20	120.0°	120.0°
HD	CD	CG	CB	169.8°	59.9°
HD	CD	CG	H20	120.0°	120.0°
HD	CD	CG	HG	70.2°	60.0°
HD	CD	CG	HGA	49.8°	NaN°
HD	CD	NE	H21	126.3°	120.0°
C1	NE	CD	H21	180.0°	180.0°
C1	NE	CD	CG	173.7°	180.0°
NE	C1	NH	HNH	0.0°	0.0°
C1	NE	CD	H20	66.3°	60.1°
NE	CD	CG	CB	49.7°	180.0°
NE	CD	CG	H20	120.0°	120.0°
NE	CD	CG	HG	169.7°	60.1°
NE	CD	CG	HGA	70.3°	59.9°
CD	NE	C1	NH	180.0°	0.0°
CB	CG	CD	HG	120.0°	119.9°
CB	CG	CD	HGA	120.0°	120.1°
CB	CG	HG	HGA	120.1°	120.0°
CB	CG	CD	H20	70.2°	60.0°
CD	CG	HG	HGA	120.1°	120.0°
CG	CD	NE	H21	6.3°	0.1°
HG	CG	CD	H20	49.8°	180.0°
HGA	CG	CD	H20	169.8°	60.0°
NH	C1	NE	H21	0.1°	180.0°
OA1	C	OA2	HOA2	0.0°	0.3°
H20	CD	NE	H21	113.7°	120.0°

Definition date:	2009-09-17
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3JT7