PA9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	CA	sing	1.51Å	1.54Å
CA	N1	sing	1.46Å	1.47Å
CA	CB	sing	1.53Å	1.54Å
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	1.53Å
CG	HG	sing	1.09Å	1.10Å
CG	HGA	sing	1.09Å	1.10Å
CD	N2	sing	1.47Å	1.46Å
CD	HD	sing	1.09Å	1.10Å
CD	HDA	sing	1.09Å	1.10Å
O	C	doub	1.21Å	1.25Å
OXT	C	sing	1.34Å	1.25Å
OXT	HOXT	sing	0.97Å	0.95Å
O1	C1	doub	1.21Å	1.23Å
C1	C2	sing	1.51Å	1.53Å
C1	N1	sing	1.35Å	1.33Å
O1P	P	doub	1.48Å	1.59Å
C4	P	sing	1.82Å	1.80Å
P	O2P	sing	1.61Å	1.61Å
P	O3P	sing	1.61Å	1.62Å
O2P	HO2P	sing	0.97Å	0.95Å
O3P	HO3P	sing	0.97Å	0.95Å
N1	HN1	sing	0.97Å	1.00Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
C2	H2B	sing	1.09Å	1.10Å
N2	C3	sing	1.35Å	1.33Å
N2	HN2	sing	0.97Å	1.00Å
O2	C3	doub	1.21Å	1.23Å
C3	C4	sing	1.51Å	1.51Å
C4	H4	sing	1.09Å	1.10Å
C4	H4A	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	CA	N1	112.5°	109.5°
C	CA	CB	111.3°	109.5°
C	CA	HA	104.9°	109.5°
CA	C	O	118.2°	120.0°
CA	C	OXT	119.0°	120.0°
N1	CA	CB	105.5°	109.5°
N1	CA	HA	110.7°	109.4°
CA	N1	C1	131.9°	120.0°
CA	N1	HN1	114.0°	120.0°
CB	CA	HA	112.0°	109.5°
CA	CB	CG	115.1°	109.5°
CA	CB	HB	107.6°	109.5°
CA	CB	HBA	106.3°	109.5°
CG	CB	HB	107.6°	109.4°
CG	CB	HBA	106.3°	109.5°
CB	CG	CD	112.0°	109.5°
CB	CG	HG	108.6°	109.4°
CB	CG	HGA	108.0°	109.5°
HB	CB	HBA	114.0°	109.5°
CD	CG	HG	108.7°	109.5°
CD	CG	HGA	108.1°	109.5°
CG	CD	N2	113.7°	109.5°
CG	CD	HD	108.1°	109.5°
CG	CD	HDA	107.1°	109.5°
HG	CG	HGA	111.5°	109.5°
N2	CD	HD	108.1°	109.4°
N2	CD	HDA	107.1°	109.5°
CD	N2	C3	124.9°	120.0°
CD	N2	HN2	117.6°	120.0°
HD	CD	HDA	112.8°	109.5°
O	C	OXT	122.9°	120.0°
C	OXT	HOXT	109.5°	117.0°
O1	C1	C2	123.9°	120.0°
O1	C1	N1	122.2°	120.0°
C2	C1	N1	113.9°	120.0°
C1	C2	H2	109.5°	109.5°
C1	C2	H2A	109.5°	109.5°
C1	C2	H2B	109.5°	109.5°
C1	N1	HN1	114.1°	120.0°
O1P	P	C4	108.4°	109.5°
O1P	P	O2P	111.4°	109.5°
O1P	P	O3P	110.0°	109.5°
C4	P	O2P	107.9°	109.5°
C4	P	O3P	108.1°	109.5°
P	C4	C3	110.2°	109.5°
P	C4	H4	109.2°	109.5°
P	C4	H4A	109.1°	109.5°
O2P	P	O3P	110.9°	109.5°
P	O2P	HO2P	109.5°	114.0°
P	O3P	HO3P	109.5°	114.0°
H2	C2	H2A	109.5°	109.4°
H2	C2	H2B	109.5°	109.5°
H2A	C2	H2B	109.5°	109.4°
C3	N2	HN2	117.5°	120.0°
N2	C3	O2	123.4°	120.0°
N2	C3	C4	116.0°	120.0°
O2	C3	C4	120.6°	120.0°
C3	C4	H4	109.3°	109.4°
C3	C4	H4A	109.1°	109.4°
H4	C4	H4A	110.0°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	CA	N1	CB	121.6°	120.0°
C	CA	N1	HA	117.1°	120.0°
C	CA	CB	HA	117.1°	120.0°
C	CA	CB	CG	66.1°	175.0°
C	CA	CB	HB	174.0°	65.0°
C	CA	CB	HBA	51.4°	55.0°
CA	C	O	OXT	179.9°	180.0°
CA	C	OXT	HOXT	179.9°	180.0°
C	CA	N1	C1	51.4°	85.0°
C	CA	N1	HN1	128.7°	95.0°
N1	CA	CB	HA	120.6°	120.0°
N1	CA	CB	CG	171.6°	64.9°
N1	CA	CB	HB	51.6°	55.0°
N1	CA	CB	HBA	70.9°	175.0°
N1	CA	C	O	151.9°	0.0°
N1	CA	C	OXT	28.2°	180.0°
CA	N1	C1	O1	48.0°	0.0°
CA	N1	C1	C2	132.4°	180.0°
CA	N1	C1	HN1	180.0°	180.0°
CA	CB	CG	HB	120.0°	119.9°
CA	CB	CG	HBA	117.5°	120.0°
CA	CB	HB	HBA	117.7°	120.0°
CA	CB	CG	CD	172.7°	NaN°
CA	CB	CG	HG	52.6°	60.1°
CA	CB	CG	HGA	68.4°	59.9°
CB	CA	C	O	89.9°	120.0°
CB	CA	C	OXT	90.0°	60.0°
CB	CA	N1	C1	172.9°	155.0°
CB	CA	N1	HN1	7.1°	25.0°
HA	CA	CB	CG	51.1°	55.0°
HA	CA	CB	HB	68.9°	175.0°
HA	CA	CB	HBA	168.5°	65.0°
HA	CA	C	O	31.4°	120.0°
HA	CA	C	OXT	148.7°	60.0°
HA	CA	N1	C1	65.7°	35.0°
HA	CA	N1	HN1	114.3°	145.0°
CG	CB	HB	HBA	117.7°	120.0°
CB	CG	CD	HG	120.0°	119.9°
CB	CG	CD	HGA	118.9°	120.1°
CB	CG	HG	HGA	118.9°	120.0°
CB	CG	CD	N2	55.8°	180.0°
CB	CG	CD	HD	64.1°	60.1°
CB	CG	CD	HDA	174.0°	60.0°
HB	CB	CG	CD	67.4°	60.1°
HB	CB	CG	HG	172.6°	180.0°
HB	CB	CG	HGA	51.6°	60.0°
HBA	CB	CG	CD	55.2°	60.0°
HBA	CB	CG	HG	64.8°	60.0°
HBA	CB	CG	HGA	174.1°	180.0°
CD	CG	HG	HGA	119.0°	120.1°
CG	CD	N2	HD	120.0°	120.0°
CG	CD	N2	HDA	118.2°	120.0°
CG	CD	HD	HDA	118.3°	120.0°
CG	CD	N2	C3	98.2°	180.0°
CG	CD	N2	HN2	81.8°	0.1°
HG	CG	CD	N2	175.8°	60.1°
HG	CG	CD	HD	55.9°	180.0°
HG	CG	CD	HDA	66.0°	60.0°
HGA	CG	CD	N2	63.1°	60.0°
HGA	CG	CD	HD	177.0°	60.0°
HGA	CG	CD	HDA	55.1°	180.0°
N2	CD	HD	HDA	118.2°	120.0°
CD	N2	C3	HN2	180.0°	180.0°
CD	N2	C3	O2	0.3°	0.0°
CD	N2	C3	C4	179.5°	180.0°
HD	CD	N2	C3	141.8°	60.0°
HD	CD	N2	HN2	38.2°	120.0°
HDA	CD	N2	C3	20.0°	60.0°
HDA	CD	N2	HN2	160.1°	120.0°
O	C	OXT	HOXT	0.0°	0.0°
O1	C1	C2	N1	179.6°	179.9°
O1	C1	N1	HN1	132.0°	179.9°
O1	C1	C2	H2	58.5°	89.9°
O1	C1	C2	H2A	178.5°	30.0°
O1	C1	C2	H2B	61.5°	150.0°
C2	C1	N1	HN1	47.6°	0.0°
C1	C2	H2	H2A	120.0°	120.0°
C1	C2	H2	H2B	120.0°	120.1°
C1	C2	H2A	H2B	120.0°	120.0°
N1	C1	C2	H2	121.9°	90.0°
N1	C1	C2	H2A	1.9°	150.1°
N1	C1	C2	H2B	118.1°	30.1°
O1P	P	C4	O2P	120.7°	120.0°
O1P	P	C4	O3P	119.2°	120.0°
O1P	P	O2P	O3P	122.9°	120.0°
O1P	P	O2P	HO2P	144.5°	60.0°
O1P	P	O3P	HO3P	49.8°	180.0°
O1P	P	C4	C3	46.3°	55.0°
O1P	P	C4	H4	166.3°	65.0°
O1P	P	C4	H4A	73.4°	175.0°
C4	P	O2P	O3P	118.2°	120.0°
C4	P	O2P	HO2P	96.7°	180.0°
C4	P	O3P	HO3P	68.4°	60.0°
P	C4	C3	N2	111.6°	100.0°
P	C4	C3	O2	69.1°	80.0°
P	C4	C3	H4	120.0°	120.1°
P	C4	C3	H4A	119.7°	120.0°
P	C4	H4	H4A	119.7°	120.0°
O2P	P	O3P	HO3P	173.5°	60.0°
O2P	P	C4	C3	74.4°	175.0°
O2P	P	C4	H4	45.6°	55.0°
O2P	P	C4	H4A	165.9°	65.0°
O3P	P	O2P	HO2P	21.6°	60.0°
O3P	P	C4	C3	165.5°	65.0°
O3P	P	C4	H4	74.5°	175.0°
O3P	P	C4	H4A	45.8°	55.0°
H2	C2	H2A	H2B	120.0°	120.0°
N2	C3	O2	C4	179.2°	180.0°
N2	C3	C4	H4	128.4°	140.0°
N2	C3	C4	H4A	8.1°	20.0°
HN2	N2	C3	O2	179.8°	180.0°
HN2	N2	C3	C4	0.5°	0.0°
O2	C3	C4	H4	50.9°	40.1°
O2	C3	C4	H4A	171.2°	160.0°
C3	C4	H4	H4A	119.7°	119.9°

Definition date:	2008-06-03
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3D8I