PMG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.32Å	1.46Å	Aromatic
N1	C6	doub	1.32Å	1.40Å	Aromatic
C2	C2A	sing	1.51Å	1.53Å
C2	C3	doub	1.39Å	1.50Å	Aromatic
C2A	H2A1	sing	1.09Å	1.12Å
C2A	H2A2	sing	1.09Å	1.11Å
C2A	H2A3	sing	1.09Å	1.12Å
C3	O3	sing	1.36Å	1.34Å
C3	C4	sing	1.39Å	1.48Å	Aromatic
O3	HO3	sing	0.97Å	0.95Å
C4	C4A	sing	1.51Å	1.56Å
C4	C5	doub	1.39Å	1.51Å	Aromatic
C4A	N	sing	1.47Å	1.59Å
C4A	H4A1	sing	1.09Å	1.11Å
C4A	H4A2	sing	1.09Å	1.11Å
C5	C6	sing	1.38Å	1.43Å	Aromatic
C5	C5A	sing	1.51Å	1.52Å
C6	H6	sing	1.08Å	1.10Å
C5A	OP4	sing	1.43Å	1.37Å
C5A	H5A1	sing	1.09Å	1.11Å
C5A	H5A2	sing	1.09Å	1.11Å
OP4	P	sing	1.61Å	1.60Å
P	OP1	doub	1.61Å	1.45Å
P	OP2	sing	1.61Å	1.50Å
P	OP3	sing	1.48Å	1.54Å
OP2	HP2	sing	0.97Å	0.95Å
OP3	HP3	sing	4.50Å	0.95Å
N	CA	sing	1.47Å	1.47Å
N	HN	sing	1.01Å	1.02Å
CA	CB2	sing	1.53Å	1.55Å
CA	CB1	sing	1.53Å	1.57Å
CA	C	sing	1.51Å	1.57Å
CB2	HB21	sing	1.09Å	1.11Å
CB2	HB22	sing	1.09Å	1.12Å
CB2	HB23	sing	1.09Å	1.11Å
CB1	CG	sing	1.53Å	1.52Å
CB1	HB11	sing	1.09Å	1.11Å
CB1	HB12	sing	1.09Å	1.11Å
CG	CD	sing	1.51Å	1.49Å
CG	HG1	sing	1.09Å	1.12Å
CG	HG2	sing	1.09Å	1.11Å
CD	OE1	sing	1.34Å	1.25Å
CD	OE2	doub	1.21Å	1.26Å
OE1	HE1	sing	0.97Å	0.95Å
C	O	doub	1.34Å	1.24Å
C	OXT	sing	1.21Å	1.26Å
OXT	HXT	sing	4.15Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C6	125.5°	121.8°
N1	C2	C2A	109.9°	119.6°
N1	C2	C3	116.0°	120.7°
N1	C6	C5	116.9°	120.8°
N1	C6	H6	120.4°	119.6°
C2A	C2	C3	134.1°	119.7°
C2	C2A	H2A1	109.9°	109.5°
C2	C2A	H2A2	112.1°	109.5°
C2	C2A	H2A3	112.0°	109.5°
C2	C3	O3	111.4°	120.4°
C2	C3	C4	122.9°	119.1°
H2A1	C2A	H2A2	112.1°	109.5°
H2A1	C2A	H2A3	112.0°	109.4°
H2A2	C2A	H2A3	98.4°	109.5°
O3	C3	C4	125.8°	120.5°
C3	O3	HO3	111.4°	106.8°
C3	C4	C4A	123.0°	120.8°
C3	C4	C5	113.2°	118.4°
C4A	C4	C5	123.8°	120.8°
C4	C4A	N	111.4°	109.5°
C4	C4A	H4A1	111.5°	109.4°
C4	C4A	H4A2	111.5°	109.5°
C4	C5	C6	125.6°	119.3°
C4	C5	C5A	123.5°	120.4°
N	C4A	H4A1	111.4°	109.5°
N	C4A	H4A2	111.5°	109.5°
C4A	N	CA	129.3°	106.7°
C4A	N	HN	105.3°	106.7°
H4A1	C4A	H4A2	98.9°	109.5°
C6	C5	C5A	111.0°	120.4°
C5	C6	H6	122.7°	119.6°
C5	C5A	OP4	116.5°	109.5°
C5	C5A	H5A1	109.6°	109.5°
C5	C5A	H5A2	109.6°	109.5°
OP4	C5A	H5A1	109.7°	109.5°
OP4	C5A	H5A2	109.7°	109.5°
C5A	OP4	P	126.6°	106.8°
H5A1	C5A	H5A2	100.6°	109.5°
OP4	P	OP1	111.1°	109.4°
OP4	P	OP2	101.2°	109.4°
OP4	P	OP3	108.2°	109.5°
OP1	P	OP2	117.0°	109.5°
OP1	P	OP3	108.8°	109.5°
OP2	P	OP3	110.1°	109.5°
P	OP2	HP2	101.2°	106.8°
P	OP3	HP3	108.2°	75.3°
CA	N	HN	105.3°	106.7°
N	CA	CB2	107.6°	109.5°
N	CA	CB1	108.8°	109.4°
N	CA	C	107.6°	109.5°
CB2	CA	CB1	110.7°	109.5°
CB2	CA	C	107.4°	109.5°
CA	CB2	HB21	107.6°	109.5°
CA	CB2	HB22	112.9°	109.5°
CA	CB2	HB23	113.0°	109.4°
CB1	CA	C	114.5°	109.5°
CA	CB1	CG	121.1°	109.4°
CA	CB1	HB11	108.0°	109.5°
CA	CB1	HB12	108.0°	109.5°
CA	C	O	119.2°	120.0°
CA	C	OXT	117.0°	120.0°
HB21	CB2	HB22	112.9°	109.5°
HB21	CB2	HB23	112.9°	109.5°
HB22	CB2	HB23	97.5°	109.5°
CG	CB1	HB11	108.1°	109.4°
CG	CB1	HB12	108.1°	109.5°
CB1	CG	CD	111.2°	109.5°
CB1	CG	HG1	111.5°	109.5°
CB1	CG	HG2	111.6°	109.5°
HB11	CB1	HB12	101.9°	109.5°
CD	CG	HG1	111.6°	109.4°
CD	CG	HG2	111.6°	109.5°
CG	CD	OE1	117.6°	120.0°
CG	CD	OE2	117.2°	120.0°
HG1	CG	HG2	98.9°	109.6°
OE1	CD	OE2	125.2°	120.0°
CD	OE1	HE1	117.6°	120.0°
O	C	OXT	123.8°	120.0°
C	OXT	HXT	117.1°	38.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C2	C2A	C3	180.0°	179.8°
N1	C2	C2A	H2A1	180.0°	90.0°
N1	C2	C2A	H2A2	54.7°	150.0°
N1	C2	C2A	H2A3	54.8°	30.0°
N1	C2	C3	O3	179.9°	180.0°
N1	C2	C3	C4	0.1°	0.5°
C2	N1	C6	C5	0.1°	0.1°
C2	N1	C6	H6	179.9°	180.0°
C6	N1	C2	C2A	180.0°	180.0°
C6	N1	C2	C3	0.1°	0.2°
N1	C6	C5	C4	0.0°	0.1°
N1	C6	C5	H6	180.0°	179.9°
N1	C6	C5	C5A	179.8°	180.0°
C2	C2A	H2A1	H2A2	125.3°	120.0°
C2	C2A	H2A1	H2A3	125.2°	120.0°
C2	C2A	H2A2	H2A3	118.0°	120.0°
C2A	C2	C3	O3	0.1°	0.2°
C2A	C2	C3	C4	179.9°	179.7°
C3	C2	C2A	H2A1	0.0°	90.3°
C3	C2	C2A	H2A2	125.3°	29.8°
C3	C2	C2A	H2A3	125.2°	149.8°
C2	C3	O3	C4	180.0°	179.5°
C2	C3	O3	HO3	180.0°	90.5°
C2	C3	C4	C4A	179.6°	179.8°
C2	C3	C4	C5	0.1°	0.5°
H2A1	C2A	H2A2	H2A3	117.9°	120.0°
O3	C3	C4	C4A	0.3°	0.2°
O3	C3	C4	C5	179.9°	180.0°
C4	C3	O3	HO3	0.0°	90.0°
C3	C4	C4A	C5	179.7°	179.7°
C3	C4	C4A	N	26.2°	89.7°
C3	C4	C4A	H4A1	99.0°	30.3°
C3	C4	C4A	H4A2	151.5°	150.3°
C3	C4	C5	C6	0.1°	0.2°
C3	C4	C5	C5A	179.9°	179.7°
C4	C4A	N	H4A1	125.2°	120.0°
C4	C4A	N	H4A2	125.3°	120.0°
C4	C4A	H4A1	H4A2	117.4°	120.0°
C4A	C4	C5	C6	179.7°	180.0°
C4A	C4	C5	C5A	0.2°	0.0°
C4	C4A	N	CA	179.0°	180.0°
C4	C4A	N	HN	53.7°	66.3°
C5	C4	C4A	N	154.0°	90.0°
C5	C4	C4A	H4A1	80.8°	150.0°
C5	C4	C4A	H4A2	28.7°	30.0°
C4	C5	C6	C5A	179.9°	179.9°
C4	C5	C6	H6	180.0°	180.0°
C4	C5	C5A	OP4	45.1°	180.0°
C4	C5	C5A	H5A1	170.3°	60.0°
C4	C5	C5A	H5A2	80.2°	60.0°
N	C4A	H4A1	H4A2	117.4°	120.0°
C4A	N	CA	HN	125.3°	113.8°
C4A	N	CA	CB2	83.3°	60.1°
C4A	N	CA	CB1	36.6°	180.0°
C4A	N	CA	C	161.3°	60.0°
H4A1	C4A	N	CA	53.7°	60.0°
H4A1	C4A	N	HN	71.6°	173.8°
H4A2	C4A	N	CA	55.7°	60.0°
H4A2	C4A	N	HN	179.0°	53.7°
C6	C5	C5A	OP4	134.8°	0.0°
C6	C5	C5A	H5A1	9.6°	120.0°
C6	C5	C5A	H5A2	99.9°	120.0°
C5A	C5	C6	H6	0.1°	0.1°
C5	C5A	OP4	H5A1	125.2°	120.0°
C5	C5A	OP4	H5A2	125.2°	120.0°
C5	C5A	H5A1	H5A2	115.4°	120.0°
C5	C5A	OP4	P	179.9°	180.0°
OP4	C5A	H5A1	H5A2	115.5°	120.0°
C5A	OP4	P	OP1	120.2°	175.0°
C5A	OP4	P	OP2	114.8°	65.0°
C5A	OP4	P	OP3	0.9°	55.0°
H5A1	C5A	OP4	P	54.8°	60.0°
H5A2	C5A	OP4	P	54.7°	60.0°
OP4	P	OP1	OP2	115.5°	119.9°
OP4	P	OP1	OP3	119.0°	120.0°
OP4	P	OP2	OP3	114.3°	120.0°
OP4	P	OP2	HP2	180.0°	60.0°
OP4	P	OP3	HP3	180.0°	49.7°
OP1	P	OP2	OP3	124.8°	120.1°
OP1	P	OP2	HP2	59.1°	60.0°
OP1	P	OP3	HP3	59.2°	169.7°
OP2	P	OP3	HP3	70.3°	70.3°
OP3	P	OP2	HP2	65.7°	180.0°
N	CA	CB2	CB1	118.8°	119.9°
N	CA	CB2	C	115.5°	120.0°
N	CA	CB1	C	120.5°	120.0°
N	CA	CB2	HB21	180.0°	59.9°
N	CA	CB2	HB22	54.7°	180.0°
N	CA	CB2	HB23	54.7°	60.0°
N	CA	CB1	CG	99.8°	180.0°
N	CA	CB1	HB11	135.0°	60.0°
N	CA	CB1	HB12	25.5°	60.0°
N	CA	C	O	170.0°	35.0°
N	CA	C	OXT	10.4°	145.0°
HN	N	CA	CB2	41.9°	53.7°
HN	N	CA	CB1	161.9°	66.2°
HN	N	CA	C	73.4°	173.8°
CB2	CA	CB1	C	121.5°	120.1°
CA	CB2	HB21	HB22	125.2°	120.0°
CA	CB2	HB21	HB23	125.3°	120.0°
CA	CB2	HB22	HB23	118.9°	119.9°
CB2	CA	CB1	CG	142.2°	60.0°
CB2	CA	CB1	HB11	16.9°	60.0°
CB2	CA	CB1	HB12	92.5°	180.0°
CB2	CA	C	O	74.5°	155.0°
CB2	CA	C	OXT	105.2°	25.0°
CB1	CA	CB2	HB21	61.2°	60.0°
CB1	CA	CB2	HB22	173.5°	60.1°
CB1	CA	CB2	HB23	64.1°	180.0°
CA	CB1	CG	HB11	125.2°	120.0°
CA	CB1	CG	HB12	125.2°	120.0°
CA	CB1	HB11	HB12	113.6°	120.0°
CA	CB1	CG	CD	70.0°	180.0°
CA	CB1	CG	HG1	55.2°	60.1°
CA	CB1	CG	HG2	164.8°	60.0°
CB1	CA	C	O	48.9°	85.0°
CB1	CA	C	OXT	131.5°	95.1°
C	CA	CB2	HB21	64.4°	180.0°
C	CA	CB2	HB22	60.8°	60.0°
C	CA	CB2	HB23	170.2°	60.0°
C	CA	CB1	CG	20.7°	60.1°
C	CA	CB1	HB11	104.6°	180.0°
C	CA	CB1	HB12	146.0°	60.0°
CA	C	O	OXT	179.6°	180.0°
CA	C	OXT	HXT	180.0°	41.3°
HB21	CB2	HB22	HB23	118.8°	120.0°
CG	CB1	HB11	HB12	113.7°	120.0°
CB1	CG	CD	HG1	125.2°	119.9°
CB1	CG	CD	HG2	125.2°	120.0°
CB1	CG	HG1	HG2	117.5°	120.1°
CB1	CG	CD	OE1	71.9°	180.0°
CB1	CG	CD	OE2	107.9°	0.1°
HB11	CB1	CG	CD	164.8°	60.0°
HB11	CB1	CG	HG1	70.0°	179.9°
HB11	CB1	CG	HG2	39.5°	60.0°
HB12	CB1	CG	CD	55.2°	60.0°
HB12	CB1	CG	HG1	179.5°	59.9°
HB12	CB1	CG	HG2	70.0°	180.0°
CD	CG	HG1	HG2	117.5°	120.0°
CG	CD	OE1	OE2	179.7°	180.0°
CG	CD	OE1	HE1	180.0°	179.9°
HG1	CG	CD	OE1	162.9°	60.0°
HG1	CG	CD	OE2	17.4°	120.0°
HG2	CG	CD	OE1	53.4°	60.0°
HG2	CG	CD	OE2	126.9°	119.9°
OE2	CD	OE1	HE1	0.3°	0.0°
O	C	OXT	HXT	0.4°	138.7°

Definition date:	2005-04-25
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	1X29