JM8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	CA	sing	1.51Å	1.52Å
C	OA2	sing	1.34Å	1.25Å
N	HN	sing	1.01Å	1.00Å
N	HNA	sing	1.01Å	1.00Å
C1	NE	sing	1.37Å	1.35Å
C1	NH	doub	1.29Å	1.26Å
C2	C1	sing	1.51Å	1.50Å
C2	C3	sing	1.53Å	1.51Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
C3	S4	sing	1.81Å	1.76Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
C5	S4	sing	1.81Å	1.78Å
C5	H5	sing	1.09Å	1.10Å
C5	H5A	sing	1.09Å	1.10Å
C6	C5	sing	1.53Å	1.53Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
C6	H6B	sing	1.09Å	1.10Å
CA	N	sing	1.47Å	1.45Å
CA	HA	sing	1.09Å	1.10Å
CB	CA	sing	1.53Å	1.54Å
CB	CG	sing	1.53Å	1.54Å
CB	HB	sing	1.09Å	1.10Å
CB	HBA	sing	1.09Å	1.10Å
CD	NE	sing	1.46Å	1.28Å
CD	CG	sing	1.53Å	1.53Å
CD	HD	sing	1.09Å	1.10Å
CG	HG	sing	1.09Å	1.10Å
CG	HGA	sing	1.09Å	1.10Å
NH	HNH	sing	0.97Å	1.00Å
OA1	C	doub	1.21Å	1.25Å
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)
CA	C	OA2	119.4°	120.0°
C	CA	N	108.8°	109.5°
C	CA	HA	109.3°	109.5°
C	CA	CB	111.5°	109.5°
CA	C	OA1	119.2°	120.0°
OA2	C	OA1	121.4°	120.0°
C	OA2	HOA2	109.5°	117.0°
HN	N	HNA	109.5°	111.0°
HN	N	CA	109.5°	111.0°
HNA	N	CA	109.5°	111.0°
NE	C1	NH	123.1°	120.0°
NE	C1	C2	119.9°	120.0°
C1	NE	CD	122.9°	120.0°
C1	NE	H21	118.6°	120.0°
NH	C1	C2	117.0°	120.0°
C1	NH	HNH	112.0°	120.0°
C1	C2	C3	107.0°	109.5°
C1	C2	H2	110.3°	109.5°
C1	C2	H2A	110.3°	109.5°
C3	C2	H2	110.3°	109.5°
C3	C2	H2A	110.3°	109.5°
C2	C3	S4	106.9°	109.5°
C2	C3	H3	110.3°	109.5°
C2	C3	H3A	110.3°	109.5°
H2	C2	H2A	108.6°	109.4°
S4	C3	H3	110.4°	109.4°
S4	C3	H3A	110.3°	109.5°
C3	S4	C5	103.7°	103.0°
H3	C3	H3A	108.6°	109.5°
S4	C5	H5	108.4°	109.4°
S4	C5	H5A	108.4°	109.5°
S4	C5	C6	112.8°	109.5°
H5	C5	H5A	110.5°	109.4°
H5	C5	C6	108.4°	109.5°
H5A	C5	C6	108.4°	109.5°
C5	C6	H6	109.5°	109.5°
C5	C6	H6A	109.5°	109.5°
C5	C6	H6B	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°
N	CA	HA	109.1°	109.5°
N	CA	CB	111.7°	109.5°
HA	CA	CB	106.3°	109.5°
CA	CB	CG	113.1°	109.5°
CA	CB	HB	108.3°	109.5°
CA	CB	HBA	108.3°	109.5°
CG	CB	HB	108.3°	109.4°
CG	CB	HBA	108.3°	109.5°
CB	CG	CD	107.9°	109.5°
CB	CG	HG	110.0°	109.4°
CB	CG	HGA	110.0°	109.5°
HB	CB	HBA	110.6°	109.5°
NE	CD	CG	120.9°	109.4°
NE	CD	HD	105.9°	109.4°
NE	CD	H20	105.8°	109.5°
CD	NE	H21	118.5°	120.0°
CG	CD	HD	105.8°	109.4°
CD	CG	HG	110.0°	109.5°
CD	CG	HGA	110.0°	109.5°
CG	CD	H20	105.8°	109.5°
HD	CD	H20	112.9°	109.5°
HG	CG	HGA	108.9°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CA	C	OA2	OA1	179.8°	179.7°
C	CA	N	HN	180.0°	63.9°
C	CA	N	HNA	60.0°	60.0°
C	CA	N	HA	119.2°	120.0°
C	CA	N	CB	123.5°	120.0°
C	CA	HA	CB	120.5°	120.0°
C	CA	CB	CG	172.6°	175.0°
C	CA	CB	HB	52.6°	65.0°
C	CA	CB	HBA	67.4°	55.0°
CA	C	OA2	HOA2	179.8°	180.0°
OA2	C	CA	N	3.6°	160.0°
OA2	C	CA	HA	122.7°	40.0°
OA2	C	CA	CB	120.0°	80.0°
HN	N	HNA	CA	120.0°	123.9°
HN	N	CA	HA	60.8°	56.1°
HN	N	CA	CB	56.4°	176.1°
HNA	N	CA	HA	59.2°	180.0°
HNA	N	CA	CB	176.5°	60.0°
NE	C1	NH	C2	179.9°	180.0°
NE	C1	C2	C3	122.8°	180.0°
NE	C1	C2	H2	117.2°	60.0°
NE	C1	C2	H2A	2.8°	60.0°
C1	NE	CD	H21	180.0°	180.0°
C1	NE	CD	CG	177.9°	180.0°
C1	NE	CD	HD	62.1°	60.1°
NE	C1	NH	HNH	179.9°	179.9°
C1	NE	CD	H20	57.9°	60.0°
NH	C1	C2	C3	57.1°	0.0°
NH	C1	C2	H2	62.9°	120.0°
NH	C1	C2	H2A	177.1°	120.0°
NH	C1	NE	CD	149.3°	0.0°
NH	C1	NE	H21	30.7°	180.0°
C1	C2	C3	H2	120.0°	120.0°
C1	C2	C3	H2A	120.0°	120.0°
C1	C2	H2	H2A	121.0°	120.0°
C1	C2	C3	S4	75.6°	180.0°
C1	C2	C3	H3	44.5°	60.0°
C1	C2	C3	H3A	164.4°	60.0°
C2	C1	NE	CD	30.6°	180.0°
C2	C1	NH	HNH	0.0°	0.1°
C2	C1	NE	H21	149.4°	0.0°
C3	C2	H2	H2A	121.0°	120.0°
C2	C3	S4	H3	120.0°	120.0°
C2	C3	S4	H3A	120.0°	120.0°
C2	C3	H3	H3A	121.0°	120.0°
C2	C3	S4	C5	105.3°	180.0°
H2	C2	C3	S4	164.4°	60.0°
H2	C2	C3	H3	75.5°	180.0°
H2	C2	C3	H3A	44.4°	60.0°
H2A	C2	C3	S4	44.4°	60.0°
H2A	C2	C3	H3	164.5°	60.0°
H2A	C2	C3	H3A	75.6°	180.0°
S4	C3	H3	H3A	121.0°	120.0°
C3	S4	C5	H5	173.1°	60.0°
C3	S4	C5	H5A	66.9°	60.0°
C3	S4	C5	C6	53.1°	180.0°
H3	C3	S4	C5	134.7°	60.0°
H3A	C3	S4	C5	14.8°	60.0°
S4	C5	H5	H5A	118.6°	120.0°
S4	C5	H5	C6	122.7°	120.0°
S4	C5	H5A	C6	122.7°	120.0°
S4	C5	C6	H6	180.0°	180.0°
S4	C5	C6	H6A	60.0°	60.1°
S4	C5	C6	H6B	60.0°	60.0°
H5	C5	H5A	C6	118.7°	120.0°
H5	C5	C6	H6	60.0°	60.0°
H5	C5	C6	H6A	180.0°	179.9°
H5	C5	C6	H6B	60.0°	60.0°
H5A	C5	C6	H6	60.0°	60.0°
H5A	C5	C6	H6A	60.0°	60.0°
H5A	C5	C6	H6B	180.0°	180.0°
C5	C6	H6	H6A	120.0°	120.0°
C5	C6	H6	H6B	120.0°	120.1°
C5	C6	H6A	H6B	120.0°	120.1°
H6	C6	H6A	H6B	120.0°	120.0°
N	CA	HA	CB	120.6°	120.0°
N	CA	CB	CG	50.6°	65.0°
N	CA	CB	HB	69.4°	55.0°
N	CA	CB	HBA	170.6°	175.0°
N	CA	C	OA1	176.1°	19.7°
HA	CA	CB	CG	68.4°	55.0°
HA	CA	CB	HB	171.6°	175.0°
HA	CA	CB	HBA	51.6°	65.0°
HA	CA	C	OA1	57.0°	139.7°
CA	CB	CG	HB	120.0°	120.0°
CA	CB	CG	HBA	120.0°	120.0°
CA	CB	HB	HBA	118.5°	120.0°
CA	CB	CG	CD	140.9°	NaN°
CA	CB	CG	HG	99.1°	60.0°
CA	CB	CG	HGA	20.9°	60.0°
CB	CA	C	OA1	60.3°	100.3°
CG	CB	HB	HBA	118.5°	120.0°
CB	CG	CD	NE	43.1°	179.9°
CB	CG	CD	HG	120.0°	120.0°
CB	CG	CD	HGA	120.0°	120.0°
CB	CG	CD	HD	163.1°	60.0°
CB	CG	HG	HGA	120.6°	120.0°
CB	CG	CD	H20	76.9°	60.0°
HB	CB	CG	CD	20.9°	60.0°
HB	CB	CG	HG	140.9°	180.0°
HB	CB	CG	HGA	99.1°	60.0°
HBA	CB	CG	CD	99.1°	60.0°
HBA	CB	CG	HG	20.9°	60.0°
HBA	CB	CG	HGA	140.9°	180.0°
NE	CD	CG	HD	120.0°	119.9°
NE	CD	CG	H20	120.0°	120.0°
NE	CD	HD	H20	115.3°	120.1°
NE	CD	CG	HG	163.1°	60.0°
NE	CD	CG	HGA	76.9°	60.0°
CG	CD	HD	H20	115.3°	120.0°
CD	CG	HG	HGA	120.6°	120.0°
CG	CD	NE	H21	2.1°	0.0°
HD	CD	CG	HG	76.9°	59.9°
HD	CD	CG	HGA	43.1°	180.0°
HD	CD	NE	H21	117.9°	119.9°
HG	CG	CD	H20	43.1°	180.0°
HGA	CG	CD	H20	163.1°	60.0°
OA1	C	OA2	HOA2	0.0°	0.3°
H20	CD	NE	H21	122.1°	120.0°

Definition date:	2009-09-15
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3JT4