1PI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C	doub	1.21Å	1.37Å
C	CA	sing	1.51Å	1.44Å
C	H4	sing	1.08Å	1.08Å
CA	N	sing	1.47Å	1.42Å
N	H	sing	1.01Å	1.00Å
N	H2	sing	1.01Å	1.00Å
C1	CG	sing	1.53Å	1.55Å
C1	C2	sing	1.53Å	1.69Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C2	C3	sing	1.53Å	1.66Å
C2	H2B	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
C3	NE	sing	1.47Å	1.62Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
CA	CB	sing	1.53Å	1.42Å
CA	HA	sing	1.09Å	1.10Å
CB	CG	sing	1.53Å	1.44Å
CB	HB	sing	1.09Å	1.10Å
CB	HBA	sing	1.09Å	1.10Å
CG	CD	sing	1.53Å	1.57Å
CD	NE	sing	1.47Å	1.41Å
CD	HD	sing	1.09Å	1.10Å
CD	HDA	sing	1.09Å	1.10Å
NE	CZ	sing	1.37Å	1.37Å
CG	HG	sing	1.09Å	1.10Å
CZ	NH1	doub	1.30Å	1.31Å
CZ	NH2	sing	1.37Å	1.25Å
NH1	HNH1	sing	0.97Å	1.00Å
NH2	HNH2	sing	0.97Å	1.00Å
NH2	HNHA	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	CA	135.4°	120.0°
O	C	H4	112.3°	120.0°
CA	C	H4	112.3°	120.0°
C	CA	N	114.9°	109.5°
C	CA	CB	115.2°	109.4°
C	CA	HA	100.1°	109.5°
CA	N	H	109.5°	111.1°
CA	N	H2	109.5°	111.0°
N	CA	CB	105.5°	109.4°
N	CA	HA	110.8°	109.5°
H	N	H2	109.4°	111.0°
CG	C1	C2	94.2°	109.5°
CG	C1	H1	114.9°	109.4°
CG	C1	H1A	114.9°	109.5°
C1	CG	CB	96.0°	109.5°
C1	CG	CD	113.1°	109.4°
C1	CG	HG	114.7°	109.5°
C2	C1	H1	114.9°	109.4°
C2	C1	H1A	114.9°	109.4°
C1	C2	C3	104.7°	109.3°
C1	C2	H2B	111.1°	109.5°
C1	C2	H2A	111.1°	109.5°
H1	C1	H1A	103.5°	109.5°
C3	C2	H2B	111.1°	109.5°
C3	C2	H2A	111.1°	109.5°
C2	C3	NE	110.2°	108.8°
C2	C3	H3	109.2°	109.6°
C2	C3	H3A	109.2°	109.6°
H2B	C2	H2A	107.8°	109.5°
NE	C3	H3	109.2°	109.6°
NE	C3	H3A	109.2°	109.6°
C3	NE	CD	106.4°	118.7°
C3	NE	CZ	120.3°	120.6°
H3	C3	H3A	109.7°	109.7°
CB	CA	HA	110.5°	109.5°
CA	CB	CG	121.8°	109.5°
CA	CB	HB	105.5°	109.5°
CA	CB	HBA	105.6°	109.4°
CG	CB	HB	105.6°	109.5°
CG	CB	HBA	105.5°	109.5°
CB	CG	CD	106.3°	109.5°
CB	CG	HG	120.8°	109.5°
HB	CB	HBA	113.1°	109.5°
CG	CD	NE	117.0°	108.8°
CG	CD	HD	107.1°	109.6°
CG	CD	HDA	107.0°	109.7°
CD	CG	HG	105.8°	109.5°
NE	CD	HD	107.0°	109.6°
NE	CD	HDA	107.0°	109.5°
CD	NE	CZ	127.9°	120.6°
HD	CD	HDA	111.8°	109.6°
NE	CZ	NH1	120.4°	120.0°
NE	CZ	NH2	123.1°	120.0°
NH1	CZ	NH2	116.4°	120.0°
CZ	NH1	HNH1	112.0°	119.9°
CZ	NH2	HNH2	120.0°	120.0°
CZ	NH2	HNHA	120.0°	120.0°
HNH2	NH2	HNHA	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	CA	H4	180.0°	179.9°
O	C	CA	N	158.7°	0.2°
O	C	CA	CB	35.8°	119.8°
O	C	CA	HA	82.7°	120.2°
C	CA	N	CB	127.9°	119.9°
C	CA	N	HA	112.5°	120.1°
C	CA	N	H	180.0°	59.9°
C	CA	N	H2	60.0°	176.0°
C	CA	CB	HA	112.5°	120.0°
C	CA	CB	CG	128.7°	175.0°
C	CA	CB	HB	111.3°	65.0°
C	CA	CB	HBA	8.7°	55.0°
H4	C	CA	N	21.3°	180.0°
H4	C	CA	CB	144.2°	60.1°
H4	C	CA	HA	97.3°	59.9°
CA	N	H	H2	120.0°	124.1°
N	CA	CB	HA	119.8°	120.0°
N	CA	CB	CG	103.6°	65.0°
N	CA	CB	HB	16.4°	55.0°
N	CA	CB	HBA	136.4°	175.0°
H	N	CA	CB	52.1°	60.0°
H	N	CA	HA	67.5°	180.0°
H2	N	CA	CB	172.1°	64.0°
H2	N	CA	HA	52.5°	56.0°
CG	C1	C2	H1	120.0°	120.0°
CG	C1	C2	H1A	120.0°	120.0°
CG	C1	H1	H1A	126.1°	120.0°
CG	C1	C2	C3	70.3°	61.4°
CG	C1	C2	H2B	49.7°	58.7°
CG	C1	C2	H2A	169.8°	178.7°
C1	CG	CB	CA	8.5°	175.0°
C1	CG	CB	CD	116.2°	119.9°
C1	CG	CB	HG	123.5°	120.1°
C1	CG	CB	HB	128.6°	55.0°
C1	CG	CB	HBA	111.5°	65.0°
C1	CG	CD	HG	126.4°	120.0°
C1	CG	CD	NE	67.2°	54.6°
C1	CG	CD	HD	52.8°	174.4°
C1	CG	CD	HDA	172.8°	65.2°
C2	C1	H1	H1A	126.1°	120.0°
C1	C2	C3	H2B	120.0°	120.0°
C1	C2	C3	H2A	120.0°	119.9°
C1	C2	H2B	H2A	121.9°	120.0°
C1	C2	C3	NE	68.4°	54.7°
C1	C2	C3	H3	171.6°	174.4°
C1	C2	C3	H3A	51.6°	65.2°
C2	C1	CG	CB	179.8°	178.7°
C2	C1	CG	CD	69.6°	61.3°
C2	C1	CG	HG	51.9°	58.6°
H1	C1	C2	C3	169.8°	58.6°
H1	C1	C2	H2B	70.3°	178.6°
H1	C1	C2	H2A	49.8°	61.3°
H1	C1	CG	CB	59.9°	61.3°
H1	C1	CG	CD	170.4°	58.6°
H1	C1	CG	HG	68.1°	178.6°
H1A	C1	C2	C3	49.7°	178.6°
H1A	C1	C2	H2B	169.7°	61.3°
H1A	C1	C2	H2A	70.2°	58.7°
H1A	C1	CG	CB	60.1°	58.7°
H1A	C1	CG	CD	50.4°	178.7°
H1A	C1	CG	HG	171.9°	61.4°
C3	C2	H2B	H2A	122.0°	120.1°
C2	C3	NE	H3	120.0°	119.8°
C2	C3	NE	H3A	120.0°	119.8°
C2	C3	H3	H3A	119.7°	120.3°
C2	C3	NE	CD	53.8°	53.6°
C2	C3	NE	CZ	102.2°	126.4°
H2B	C2	C3	NE	51.6°	65.3°
H2B	C2	C3	H3	68.4°	54.4°
H2B	C2	C3	H3A	171.6°	174.8°
H2A	C2	C3	NE	171.7°	174.6°
H2A	C2	C3	H3	51.6°	65.6°
H2A	C2	C3	H3A	68.3°	54.8°
NE	C3	H3	H3A	119.7°	120.4°
C3	NE	CD	CG	50.5°	53.6°
C3	NE	CD	CZ	153.5°	180.0°
C3	NE	CD	HD	69.5°	173.4°
C3	NE	CD	HDA	170.5°	66.3°
C3	NE	CZ	NH1	155.6°	174.6°
C3	NE	CZ	NH2	21.1°	5.3°
H3	C3	NE	CD	173.8°	173.4°
H3	C3	NE	CZ	17.8°	6.6°
H3A	C3	NE	CD	66.2°	66.2°
H3A	C3	NE	CZ	137.8°	113.8°
CA	CB	CG	HB	120.0°	120.0°
CA	CB	CG	HBA	120.0°	120.0°
CA	CB	HB	HBA	114.9°	120.0°
CA	CB	CG	CD	107.7°	65.1°
CA	CB	CG	HG	132.1°	54.9°
HA	CA	CB	CG	16.2°	55.0°
HA	CA	CB	HB	136.2°	175.0°
HA	CA	CB	HBA	103.8°	65.0°
CG	CB	HB	HBA	114.9°	120.0°
CB	CG	CD	HG	129.5°	120.0°
CB	CG	CD	NE	171.4°	174.6°
CB	CG	CD	HD	51.4°	65.6°
CB	CG	CD	HDA	68.7°	54.8°
HB	CB	CG	CD	12.3°	174.9°
HB	CB	CG	HG	107.9°	65.1°
HBA	CB	CG	CD	132.3°	54.9°
HBA	CB	CG	HG	12.1°	174.9°
CG	CD	NE	HD	120.0°	119.8°
CG	CD	NE	HDA	120.0°	119.8°
CG	CD	HD	HDA	116.9°	120.4°
CG	CD	NE	CZ	103.1°	126.4°
NE	CD	HD	HDA	116.9°	120.2°
NE	CD	CG	HG	59.1°	65.4°
CD	NE	CZ	NH1	5.2°	5.4°
CD	NE	CZ	NH2	171.4°	174.6°
HD	CD	NE	CZ	136.9°	6.6°
HD	CD	CG	HG	179.1°	54.4°
HDA	CD	NE	CZ	16.9°	113.8°
HDA	CD	CG	HG	60.9°	174.9°
NE	CZ	NH1	NH2	176.8°	180.0°
NE	CZ	NH1	HNH1	176.8°	180.0°
NE	CZ	NH2	HNH2	176.7°	5.5°
NE	CZ	NH2	HNHA	3.3°	174.5°
NH1	CZ	NH2	HNH2	0.0°	174.5°
NH1	CZ	NH2	HNHA	180.0°	5.5°
NH2	CZ	NH1	HNH1	0.0°	0.0°
CZ	NH2	HNH2	HNHA	180.0°	180.0°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1BB0