M44

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	P	sing	1.68Å	1.69Å
N2	P	sing	1.68Å	1.70Å
P	O2	doub	1.48Å	1.50Å
P	O1	sing	1.61Å	1.49Å
C3	C1	sing	1.53Å	1.52Å
C1	N1	sing	1.47Å	1.46Å
C1	C2	sing	1.53Å	1.52Å
C1	H1	sing	1.09Å	1.10Å
N1	HN1	sing	1.01Å	1.00Å
O1	HO1	sing	0.97Å	0.95Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
C2	H2B	sing	1.09Å	1.10Å
C4	N2	sing	1.47Å	1.46Å
N2	HN2	sing	1.01Å	1.00Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
C3	H3B	sing	1.09Å	1.10Å
C5	C4	sing	1.53Å	1.52Å
C4	C6	sing	1.53Å	1.52Å
C4	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C5	H5A	sing	1.09Å	1.10Å
C5	H5B	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

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	P	N2	111.2°	109.5°
N1	P	O2	110.2°	109.5°
N1	P	O1	107.9°	109.5°
P	N1	C1	112.2°	111.0°
P	N1	HN1	108.6°	111.0°
N2	P	O2	108.2°	109.5°
N2	P	O1	109.9°	109.5°
P	N2	C4	112.7°	111.0°
P	N2	HN2	108.4°	111.0°
O2	P	O1	109.6°	109.5°
P	O1	HO1	109.5°	114.0°
C3	C1	N1	110.2°	109.5°
C3	C1	C2	109.7°	109.5°
C3	C1	H1	108.0°	109.5°
C1	C3	H3	109.5°	109.5°
C1	C3	H3A	109.4°	109.5°
C1	C3	H3B	109.5°	109.5°
N1	C1	C2	107.0°	109.4°
N1	C1	H1	110.7°	109.4°
C1	N1	HN1	108.6°	111.0°
C2	C1	H1	111.2°	109.5°
C1	C2	H2	109.5°	109.5°
C1	C2	H2A	109.4°	109.5°
C1	C2	H2B	109.5°	109.5°
H2	C2	H2A	109.5°	109.5°
H2	C2	H2B	109.4°	109.4°
H2A	C2	H2B	109.5°	109.5°
C4	N2	HN2	108.4°	111.0°
N2	C4	C5	109.2°	109.5°
N2	C4	C6	109.1°	109.5°
N2	C4	H4	109.9°	109.5°
H3	C3	H3A	109.5°	109.5°
H3	C3	H3B	109.5°	109.5°
H3A	C3	H3B	109.5°	109.5°
C5	C4	C6	109.5°	109.5°
C5	C4	H4	109.5°	109.5°
C4	C5	H5	109.5°	109.5°
C4	C5	H5A	109.5°	109.4°
C4	C5	H5B	109.5°	109.4°
C6	C4	H4	109.6°	109.5°
C4	C6	H6	109.5°	109.5°
C4	C6	H6A	109.5°	109.5°
C4	C6	H6B	109.4°	109.5°
H5	C5	H5A	109.5°	109.5°
H5	C5	H5B	109.5°	109.4°
H5A	C5	H5B	109.4°	109.5°
H6	C6	H6A	109.5°	109.4°
H6	C6	H6B	109.5°	109.5°
H6A	C6	H6B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	P	N2	O2	121.1°	120.0°
N1	P	N2	O1	119.4°	120.0°
N1	P	O2	O1	118.6°	120.0°
P	N1	C1	C3	145.6°	145.0°
P	N1	C1	HN1	120.0°	124.0°
P	N1	C1	C2	95.1°	95.0°
P	N1	C1	H1	26.2°	25.0°
N1	P	O1	HO1	119.9°	60.0°
N1	P	N2	C4	65.1°	180.0°
N1	P	N2	HN2	174.9°	56.1°
N2	P	O2	O1	119.7°	120.0°
N2	P	N1	C1	126.9°	180.0°
N2	P	N1	HN1	6.9°	56.0°
N2	P	O1	HO1	118.7°	60.0°
P	N2	C4	HN2	120.0°	123.9°
P	N2	C4	C5	100.3°	145.0°
P	N2	C4	C6	140.0°	95.0°
P	N2	C4	H4	19.8°	25.0°
O2	P	N1	C1	7.0°	60.0°
O2	P	N1	HN1	112.9°	64.0°
O2	P	O1	HO1	0.0°	180.0°
O2	P	N2	C4	56.0°	60.0°
O2	P	N2	HN2	64.0°	176.1°
O1	P	N1	C1	112.6°	60.0°
O1	P	N1	HN1	127.5°	176.0°
O1	P	N2	C4	175.6°	60.0°
O1	P	N2	HN2	55.6°	63.9°
C3	C1	N1	C2	119.3°	120.1°
C3	C1	N1	H1	119.4°	120.0°
C3	C1	C2	H1	119.4°	120.0°
C3	C1	N1	HN1	25.6°	91.1°
C3	C1	C2	H2	180.0°	60.0°
C3	C1	C2	H2A	60.0°	180.0°
C3	C1	C2	H2B	60.0°	60.0°
C1	C3	H3	H3A	120.0°	120.0°
C1	C3	H3	H3B	120.0°	120.0°
C1	C3	H3A	H3B	120.0°	120.0°
N1	C1	C2	H1	121.0°	119.9°
N1	C1	C2	H2	60.4°	180.0°
N1	C1	C2	H2A	179.6°	60.0°
N1	C1	C2	H2B	59.6°	60.1°
N1	C1	C3	H3	180.0°	60.0°
N1	C1	C3	H3A	60.0°	180.0°
N1	C1	C3	H3B	60.0°	60.0°
C2	C1	N1	HN1	144.9°	29.0°
C1	C2	H2	H2A	120.0°	120.0°
C1	C2	H2	H2B	120.0°	119.9°
C1	C2	H2A	H2B	120.0°	120.0°
C2	C1	C3	H3	62.4°	180.0°
C2	C1	C3	H3A	177.6°	60.0°
C2	C1	C3	H3B	57.6°	60.0°
H1	C1	N1	HN1	93.8°	148.9°
H1	C1	C2	H2	60.6°	60.1°
H1	C1	C2	H2A	59.4°	59.9°
H1	C1	C2	H2B	179.4°	180.0°
H1	C1	C3	H3	58.9°	60.0°
H1	C1	C3	H3A	61.1°	60.0°
H1	C1	C3	H3B	178.9°	180.0°
H2	C2	H2A	H2B	120.0°	119.9°
N2	C4	C5	C6	119.4°	120.0°
N2	C4	C5	H4	120.4°	120.0°
N2	C4	C6	H4	120.4°	120.0°
N2	C4	C5	H5	180.0°	60.0°
N2	C4	C5	H5A	60.0°	180.0°
N2	C4	C5	H5B	60.0°	60.0°
N2	C4	C6	H6	180.0°	60.0°
N2	C4	C6	H6A	60.0°	179.9°
N2	C4	C6	H6B	60.0°	60.0°
HN2	N2	C4	C5	139.7°	21.1°
HN2	N2	C4	C6	20.0°	141.0°
HN2	N2	C4	H4	100.2°	98.9°
H3	C3	H3A	H3B	120.0°	120.0°
C5	C4	C6	H4	120.2°	120.0°
C4	C5	H5	H5A	120.0°	120.0°
C4	C5	H5	H5B	120.0°	120.0°
C4	C5	H5A	H5B	120.0°	120.0°
C5	C4	C6	H6	60.6°	180.0°
C5	C4	C6	H6A	179.4°	60.1°
C5	C4	C6	H6B	59.4°	60.0°
C6	C4	C5	H5	60.6°	60.0°
C6	C4	C5	H5A	59.4°	60.0°
C6	C4	C5	H5B	179.4°	179.9°
C4	C6	H6	H6A	120.0°	119.9°
C4	C6	H6	H6B	120.0°	120.0°
C4	C6	H6A	H6B	120.0°	120.1°
H4	C4	C5	H5	59.6°	180.0°
H4	C4	C5	H5A	179.6°	60.0°
H4	C4	C5	H5B	60.4°	60.0°
H4	C4	C6	H6	59.6°	60.0°
H4	C4	C6	H6A	60.4°	59.9°
H4	C4	C6	H6B	179.6°	180.0°
H5	C5	H5A	H5B	120.0°	120.0°
H6	C6	H6A	H6B	120.0°	120.0°

Definition date:	2010-01-18
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3L7G