HEY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	doub	0.00Å	1.42Å	Aromatic
N1	C6	sing	0.00Å	1.38Å	Aromatic
C2	C2A	sing	0.00Å	1.53Å
C2	C3	sing	0.00Å	1.45Å	Aromatic
C2A	H2A1	sing	0.00Å	1.11Å
C2A	H2A2	sing	0.00Å	1.11Å
C2A	H2A3	sing	0.00Å	1.11Å
C3	O3	sing	0.00Å	1.34Å
C3	C4	doub	0.00Å	1.42Å	Aromatic
O3	HO3	sing	0.00Å	0.95Å
C4	C4A	sing	0.00Å	1.53Å
C4	C5	sing	0.00Å	1.47Å	Aromatic
C4A	N4A	sing	0.00Å	1.41Å
C4A	H4A1	sing	0.00Å	1.12Å
C4A	H4A2	sing	0.00Å	1.12Å
C5	C6	doub	0.00Å	1.39Å	Aromatic
C5	C5A	sing	0.00Å	1.53Å
C6	H6	sing	0.00Å	1.10Å
C5A	OP4	sing	0.00Å	1.43Å
C5A	H5A1	sing	0.00Å	1.12Å
C5A	H5A2	sing	0.00Å	1.12Å
OP4	P	sing	0.00Å	1.58Å
P	OP1	doub	0.00Å	1.48Å
P	OP2	sing	0.00Å	1.65Å
P	OP3	sing	0.00Å	1.47Å
OP2	HP2	sing	0.00Å	0.95Å
OP3	HP3	sing	0.00Å	0.95Å
N4A	CAI	sing	0.00Å	1.27Å
N4A	H4A	sing	0.00Å	1.02Å
CAI	CBC	sing	0.00Å	1.55Å
CAI	CBI	doub	0.00Å	1.41Å
CBC	O2B	sing	0.00Å	1.23Å
CBC	O3B	doub	0.00Å	1.22Å
O2B	H2B	sing	0.00Å	0.95Å
CBI	CGI	sing	0.00Å	1.54Å
CBI	HBI	sing	0.00Å	1.10Å
CGI	CEI	sing	0.00Å	1.54Å
CGI	HGI1	sing	0.00Å	1.12Å
CGI	HGI2	sing	0.00Å	1.12Å
CEI	PG	sing	0.00Å	1.82Å
CEI	HEI1	sing	0.00Å	1.12Å
CEI	HEI2	sing	0.00Å	1.11Å
PG	OG1	doub	0.00Å	1.51Å
PG	OG2	sing	0.00Å	1.50Å
PG	OG3	sing	0.00Å	1.49Å
OG2	HG2	sing	0.00Å	0.95Å
OG3	HG3	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C6	121.5°	90.0°
N1	C2	C2A	116.6°	90.0°
N1	C2	C3	120.1°	90.0°
N1	C6	C5	120.4°	90.0°
N1	C6	H6	119.3°	90.0°
C2A	C2	C3	123.3°	90.0°
C2	C2A	H2A1	116.6°	90.0°
C2	C2A	H2A2	109.6°	90.0°
C2	C2A	H2A3	109.6°	90.0°
C2	C3	O3	121.2°	90.0°
C2	C3	C4	118.6°	90.0°
H2A1	C2A	H2A2	109.7°	90.0°
H2A1	C2A	H2A3	109.7°	90.0°
H2A2	C2A	H2A3	100.5°	90.0°
O3	C3	C4	120.2°	90.0°
C3	O3	HO3	121.1°	90.0°
C3	C4	C4A	120.6°	90.0°
C3	C4	C5	119.1°	90.0°
C4A	C4	C5	120.3°	90.0°
C4	C4A	N4A	130.9°	90.0°
C4	C4A	H4A1	104.8°	90.0°
C4	C4A	H4A2	104.8°	90.0°
C4	C5	C6	120.3°	90.0°
C4	C5	C5A	125.1°	90.0°
N4A	C4A	H4A1	104.8°	90.0°
N4A	C4A	H4A2	104.8°	90.0°
C4A	N4A	CAI	141.1°	90.0°
C4A	N4A	H4A	101.5°	90.0°
H4A1	C4A	H4A2	104.2°	90.0°
C6	C5	C5A	114.6°	90.0°
C5	C6	H6	120.3°	90.0°
C5	C5A	OP4	105.7°	90.0°
C5	C5A	H5A1	113.6°	90.0°
C5	C5A	H5A2	113.7°	90.0°
OP4	C5A	H5A1	113.6°	90.0°
OP4	C5A	H5A2	113.6°	90.0°
C5A	OP4	P	123.5°	90.0°
H5A1	C5A	H5A2	96.8°	90.0°
OP4	P	OP1	108.9°	90.0°
OP4	P	OP2	107.9°	90.0°
OP4	P	OP3	108.8°	90.0°
OP1	P	OP2	109.9°	90.0°
OP1	P	OP3	116.9°	90.0°
OP2	P	OP3	104.0°	90.0°
P	OP2	HP2	108.0°	90.0°
P	OP3	HP3	108.8°	90.0°
CAI	N4A	H4A	101.5°	90.0°
N4A	CAI	CBC	115.4°	90.0°
N4A	CAI	CBI	117.1°	90.0°
CBC	CAI	CBI	127.5°	90.0°
CAI	CBC	O2B	116.7°	90.0°
CAI	CBC	O3B	120.8°	90.0°
CAI	CBI	CGI	134.0°	90.0°
CAI	CBI	HBI	106.7°	90.0°
O2B	CBC	O3B	122.4°	90.0°
CBC	O2B	H2B	116.7°	90.0°
CGI	CBI	HBI	119.3°	90.0°
CBI	CGI	CEI	111.5°	90.0°
CBI	CGI	HGI1	111.5°	90.0°
CBI	CGI	HGI2	111.4°	90.0°
CEI	CGI	HGI1	111.4°	90.0°
CEI	CGI	HGI2	111.5°	90.0°
CGI	CEI	PG	115.3°	90.0°
CGI	CEI	HEI1	110.0°	90.0°
CGI	CEI	HEI2	110.1°	90.0°
HGI1	CGI	HGI2	98.9°	90.0°
PG	CEI	HEI1	110.1°	90.0°
PG	CEI	HEI2	110.1°	90.0°
CEI	PG	OG1	109.7°	90.0°
CEI	PG	OG2	105.9°	90.0°
CEI	PG	OG3	108.6°	90.0°
HEI1	CEI	HEI2	100.2°	90.0°
OG1	PG	OG2	111.0°	90.0°
OG1	PG	OG3	107.5°	90.0°
OG2	PG	OG3	114.1°	90.0°
PG	OG2	HG2	105.9°	90.0°
PG	OG3	HG3	108.6°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C2	C2A	C3	179.9°	90.0°
N1	C2	C2A	H2A1	180.0°	90.0°
N1	C2	C2A	H2A2	54.7°	90.0°
N1	C2	C2A	H2A3	54.7°	90.0°
N1	C2	C3	O3	179.9°	90.0°
N1	C2	C3	C4	0.1°	90.0°
C2	N1	C6	C5	0.2°	90.0°
C2	N1	C6	H6	179.8°	90.0°
C6	N1	C2	C2A	179.9°	90.0°
C6	N1	C2	C3	0.1°	90.0°
N1	C6	C5	C4	0.0°	90.0°
N1	C6	C5	H6	180.0°	90.0°
N1	C6	C5	C5A	179.9°	90.0°
C2	C2A	H2A1	H2A2	125.2°	90.0°
C2	C2A	H2A1	H2A3	125.3°	90.0°
C2	C2A	H2A2	H2A3	115.4°	90.0°
C2A	C2	C3	O3	0.2°	90.0°
C2A	C2	C3	C4	179.8°	90.0°
C3	C2	C2A	H2A1	0.1°	90.0°
C3	C2	C2A	H2A2	125.2°	90.0°
C3	C2	C2A	H2A3	125.4°	90.0°
C2	C3	O3	C4	180.0°	90.0°
C2	C3	O3	HO3	180.0°	90.0°
C2	C3	C4	C4A	179.8°	90.0°
C2	C3	C4	C5	0.3°	90.0°
H2A1	C2A	H2A2	H2A3	115.5°	90.0°
O3	C3	C4	C4A	0.2°	90.0°
O3	C3	C4	C5	179.7°	90.0°
C4	C3	O3	HO3	0.1°	90.0°
C3	C4	C4A	C5	179.9°	90.0°
C3	C4	C4A	N4A	40.8°	90.0°
C3	C4	C4A	H4A1	166.1°	90.0°
C3	C4	C4A	H4A2	84.5°	90.0°
C3	C4	C5	C6	0.2°	90.0°
C3	C4	C5	C5A	179.6°	90.0°
C4	C4A	N4A	H4A1	125.3°	90.0°
C4	C4A	N4A	H4A2	125.3°	90.0°
C4	C4A	H4A1	H4A2	109.8°	90.0°
C4A	C4	C5	C6	179.9°	90.0°
C4A	C4	C5	C5A	0.3°	90.0°
C4	C4A	N4A	CAI	164.7°	90.0°
C4	C4A	N4A	H4A	70.1°	90.0°
C5	C4	C4A	N4A	139.1°	90.0°
C5	C4	C4A	H4A1	13.8°	90.0°
C5	C4	C4A	H4A2	95.6°	90.0°
C4	C5	C6	C5A	179.8°	90.0°
C4	C5	C6	H6	180.0°	90.0°
C4	C5	C5A	OP4	76.9°	90.0°
C4	C5	C5A	H5A1	157.8°	90.0°
C4	C5	C5A	H5A2	48.4°	90.0°
N4A	C4A	H4A1	H4A2	109.9°	90.0°
C4A	N4A	CAI	H4A	125.2°	90.0°
C4A	N4A	CAI	CBC	132.1°	90.0°
C4A	N4A	CAI	CBI	47.9°	90.0°
H4A1	C4A	N4A	CAI	70.1°	90.0°
H4A1	C4A	N4A	H4A	55.1°	90.0°
H4A2	C4A	N4A	CAI	39.4°	90.0°
H4A2	C4A	N4A	H4A	164.6°	90.0°
C6	C5	C5A	OP4	102.9°	90.0°
C6	C5	C5A	H5A1	22.3°	90.0°
C6	C5	C5A	H5A2	131.8°	90.0°
C5A	C5	C6	H6	0.2°	90.0°
C5	C5A	OP4	H5A1	125.3°	90.0°
C5	C5A	OP4	H5A2	125.3°	90.0°
C5	C5A	H5A1	H5A2	119.6°	90.0°
C5	C5A	OP4	P	152.0°	90.0°
OP4	C5A	H5A1	H5A2	119.5°	90.0°
C5A	OP4	P	OP1	66.0°	90.0°
C5A	OP4	P	OP2	53.3°	90.0°
C5A	OP4	P	OP3	165.6°	90.0°
H5A1	C5A	OP4	P	82.7°	90.0°
H5A2	C5A	OP4	P	26.7°	90.0°
OP4	P	OP1	OP2	118.1°	90.0°
OP4	P	OP1	OP3	123.8°	90.0°
OP4	P	OP2	OP3	115.5°	90.0°
OP4	P	OP2	HP2	180.0°	90.0°
OP4	P	OP3	HP3	180.0°	90.0°
OP1	P	OP2	OP3	125.8°	90.0°
OP1	P	OP2	HP2	61.3°	90.0°
OP1	P	OP3	HP3	56.2°	90.0°
OP2	P	OP3	HP3	65.1°	90.0°
OP3	P	OP2	HP2	64.5°	90.0°
N4A	CAI	CBC	CBI	180.0°	90.0°
N4A	CAI	CBC	O2B	174.1°	90.0°
N4A	CAI	CBC	O3B	1.4°	90.0°
N4A	CAI	CBI	CGI	179.7°	90.0°
N4A	CAI	CBI	HBI	0.3°	90.0°
H4A	N4A	CAI	CBC	102.7°	90.0°
H4A	N4A	CAI	CBI	77.3°	90.0°
CAI	CBC	O2B	O3B	175.4°	90.0°
CAI	CBC	O2B	H2B	180.0°	90.0°
CBC	CAI	CBI	CGI	0.3°	90.0°
CBC	CAI	CBI	HBI	179.7°	90.0°
CBI	CAI	CBC	O2B	5.9°	90.0°
CBI	CAI	CBC	O3B	178.7°	90.0°
CAI	CBI	CGI	HBI	180.0°	90.0°
CAI	CBI	CGI	CEI	62.4°	90.0°
CAI	CBI	CGI	HGI1	172.4°	90.0°
CAI	CBI	CGI	HGI2	62.9°	90.0°
O3B	CBC	O2B	H2B	4.6°	90.0°
CBI	CGI	CEI	HGI1	125.3°	90.0°
CBI	CGI	CEI	HGI2	125.3°	90.0°
CBI	CGI	HGI1	HGI2	117.3°	90.0°
CBI	CGI	CEI	PG	67.9°	90.0°
CBI	CGI	CEI	HEI1	166.9°	90.0°
CBI	CGI	CEI	HEI2	57.4°	90.0°
HBI	CBI	CGI	CEI	117.6°	90.0°
HBI	CBI	CGI	HGI1	7.6°	90.0°
HBI	CBI	CGI	HGI2	117.1°	90.0°
CEI	CGI	HGI1	HGI2	117.4°	90.0°
CGI	CEI	PG	HEI1	125.2°	90.0°
CGI	CEI	PG	HEI2	125.3°	90.0°
CGI	CEI	HEI1	HEI2	115.9°	90.0°
CGI	CEI	PG	OG1	153.3°	90.0°
CGI	CEI	PG	OG2	86.8°	90.0°
CGI	CEI	PG	OG3	36.1°	90.0°
HGI1	CGI	CEI	PG	57.3°	90.0°
HGI1	CGI	CEI	HEI1	67.9°	90.0°
HGI1	CGI	CEI	HEI2	177.4°	90.0°
HGI2	CGI	CEI	PG	166.8°	90.0°
HGI2	CGI	CEI	HEI1	41.6°	90.0°
HGI2	CGI	CEI	HEI2	67.9°	90.0°
PG	CEI	HEI1	HEI2	115.9°	90.0°
CEI	PG	OG1	OG2	116.7°	90.0°
CEI	PG	OG1	OG3	117.9°	90.0°
CEI	PG	OG2	OG3	119.4°	90.0°
CEI	PG	OG2	HG2	180.0°	90.0°
CEI	PG	OG3	HG3	180.0°	90.0°
HEI1	CEI	PG	OG1	28.1°	90.0°
HEI1	CEI	PG	OG2	148.0°	90.0°
HEI1	CEI	PG	OG3	89.1°	90.0°
HEI2	CEI	PG	OG1	81.4°	90.0°
HEI2	CEI	PG	OG2	38.4°	90.0°
HEI2	CEI	PG	OG3	161.3°	90.0°
OG1	PG	OG2	OG3	121.6°	90.0°
OG1	PG	OG2	HG2	61.0°	90.0°
OG1	PG	OG3	HG3	61.4°	90.0°
OG2	PG	OG3	HG3	62.1°	90.0°
OG3	PG	OG2	HG2	60.6°	90.0°

Definition date:	2003-12-10
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1V7C