AS1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O51	C5	doub	1.21Å	1.22Å
O52	C5	sing	1.34Å	1.24Å
O52	HO	sing	0.97Å	0.95Å
C5	C4	sing	1.51Å	1.53Å
C4	N4	sing	1.47Å	1.41Å
C4	C3	sing	1.53Å	1.55Å
C4	H4	sing	1.09Å	1.10Å
N4	HN41	sing	1.01Å	1.00Å
N4	HN42	sing	1.01Å	1.00Å
C3	C2	sing	1.53Å	1.52Å
C3	H31	sing	1.09Å	1.10Å
C3	H32	sing	1.09Å	1.10Å
C2	C1	sing	1.53Å	1.53Å
C2	H21	sing	1.09Å	1.10Å
C2	H22	sing	1.09Å	1.10Å
C1	N2	sing	1.47Å	1.42Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
N2	C	sing	1.38Å	1.43Å
N2	HN2	sing	0.97Å	1.00Å
C	N3	doub	1.30Å	1.46Å
C	N1	sing	1.37Å	1.45Å
N3	HN3	sing	0.97Å	1.00Å
N1	CA	sing	1.47Å	1.51Å
N1	HN1	sing	0.97Å	1.00Å
CA	CG	sing	1.51Å	1.53Å
CA	CB	sing	1.53Å	1.53Å
CA	HA	sing	1.09Å	1.10Å
CG	OG2	doub	1.21Å	1.30Å
CG	OG1	sing	1.34Å	1.25Å
OG1	HO1	sing	0.97Å	0.95Å
CB	CD	sing	1.51Å	1.53Å
CB	HB1	sing	1.09Å	1.10Å
CB	HB2	sing	1.09Å	1.10Å
CD	OD1	doub	1.21Å	1.30Å
CD	OD2	sing	1.34Å	1.25Å
OD2	HO2	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O51	C5	O52	122.6°	120.0°
O51	C5	C4	112.8°	120.0°
C5	O52	HO	109.5°	120.0°
O52	C5	C4	124.7°	120.0°
C5	C4	N4	113.2°	109.5°
C5	C4	C3	111.5°	109.4°
C5	C4	H4	104.6°	109.5°
N4	C4	C3	106.6°	109.5°
N4	C4	H4	109.7°	109.5°
C4	N4	HN41	109.5°	106.7°
C4	N4	HN42	109.5°	106.7°
C3	C4	H4	111.3°	109.4°
C4	C3	C2	104.9°	109.5°
C4	C3	H31	112.0°	109.5°
C4	C3	H32	111.0°	109.5°
HN41	N4	HN42	109.4°	106.7°
C2	C3	H31	112.0°	109.5°
C2	C3	H32	111.0°	109.4°
C3	C2	C1	126.1°	109.5°
C3	C2	H21	100.4°	109.5°
C3	C2	H22	104.3°	109.5°
H31	C3	H32	106.0°	109.5°
C1	C2	H21	100.4°	109.5°
C1	C2	H22	104.3°	109.5°
C2	C1	N2	127.0°	109.5°
C2	C1	H11	99.9°	109.4°
C2	C1	H12	104.0°	109.5°
H21	C2	H22	123.7°	109.4°
N2	C1	H11	99.9°	109.4°
N2	C1	H12	104.0°	109.5°
C1	N2	C	124.7°	120.0°
C1	N2	HN2	117.6°	120.0°
H11	C1	H12	124.5°	109.5°
C	N2	HN2	117.6°	120.0°
N2	C	N3	118.2°	120.0°
N2	C	N1	129.4°	120.0°
N3	C	N1	112.3°	120.0°
C	N3	HN3	107.4°	120.0°
C	N1	CA	148.8°	120.0°
C	N1	HN1	105.6°	120.0°
CA	N1	HN1	105.6°	120.0°
N1	CA	CG	121.5°	109.5°
N1	CA	CB	126.6°	109.5°
N1	CA	HA	22.8°	109.5°
CG	CA	CB	111.9°	109.5°
CG	CA	HA	144.0°	109.5°
CA	CG	OG2	120.6°	120.0°
CA	CG	OG1	119.3°	120.0°
CB	CA	HA	104.0°	109.4°
CA	CB	CD	105.9°	109.5°
CA	CB	HB1	111.5°	109.5°
CA	CB	HB2	110.7°	109.4°
OG2	CG	OG1	120.1°	120.0°
CG	OG1	HO1	109.5°	119.9°
CD	CB	HB1	111.5°	109.5°
CD	CB	HB2	110.7°	109.5°
CB	CD	OD1	114.4°	120.0°
CB	CD	OD2	96.6°	120.0°
HB1	CB	HB2	106.7°	109.4°
OD1	CD	OD2	118.0°	120.0°
CD	OD2	HO2	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O51	C5	O52	C4	179.9°	179.9°
O51	C5	O52	HO	0.0°	0.0°
O51	C5	C4	N4	24.3°	20.0°
O51	C5	C4	C3	96.0°	100.0°
O51	C5	C4	H4	143.6°	140.0°
O52	C5	C4	N4	155.7°	160.0°
O52	C5	C4	C3	84.1°	80.0°
O52	C5	C4	H4	36.4°	39.9°
HO	O52	C5	C4	179.9°	179.9°
C5	C4	N4	C3	123.0°	120.0°
C5	C4	N4	H4	116.4°	120.1°
C5	C4	C3	H4	116.4°	120.0°
C5	C4	N4	HN41	171.8°	60.0°
C5	C4	N4	HN42	68.2°	173.7°
C5	C4	C3	C2	85.0°	175.0°
C5	C4	C3	H31	36.8°	65.0°
C5	C4	C3	H32	155.0°	55.0°
N4	C4	C3	H4	119.6°	120.0°
C4	N4	HN41	HN42	120.0°	113.7°
N4	C4	C3	C2	151.1°	65.0°
N4	C4	C3	H31	87.2°	55.0°
N4	C4	C3	H32	31.1°	175.0°
C3	C4	N4	HN41	65.2°	59.9°
C3	C4	N4	HN42	54.8°	53.8°
C4	C3	C2	H31	121.7°	120.0°
C4	C3	C2	H32	120.0°	120.0°
C4	C3	H31	H32	121.2°	120.1°
C4	C3	C2	C1	66.9°	180.0°
C4	C3	C2	H21	44.1°	60.0°
C4	C3	C2	H22	173.1°	60.0°
H4	C4	N4	HN41	55.5°	179.9°
H4	C4	N4	HN42	175.4°	66.2°
H4	C4	C3	C2	31.5°	55.0°
H4	C4	C3	H31	153.2°	175.0°
H4	C4	C3	H32	88.6°	65.0°
C2	C3	H31	H32	121.2°	120.0°
C3	C2	C1	H21	111.1°	120.0°
C3	C2	C1	H22	120.0°	120.1°
C3	C2	H21	H22	115.0°	120.0°
C3	C2	C1	N2	179.3°	180.0°
C3	C2	C1	H11	70.2°	60.0°
C3	C2	C1	H12	59.3°	60.0°
H31	C3	C2	C1	171.3°	60.0°
H31	C3	C2	H21	77.6°	180.0°
H31	C3	C2	H22	51.3°	60.0°
H32	C3	C2	C1	53.1°	60.0°
H32	C3	C2	H21	164.1°	60.0°
H32	C3	C2	H22	66.9°	180.0°
C1	C2	H21	H22	115.0°	120.0°
C2	C1	N2	H11	110.4°	119.9°
C2	C1	N2	H12	120.0°	120.0°
C2	C1	H11	H12	114.7°	120.0°
C2	C1	N2	C	179.8°	180.0°
C2	C1	N2	HN2	0.2°	0.1°
H21	C2	C1	N2	68.2°	60.0°
H21	C2	C1	H11	178.7°	180.0°
H21	C2	C1	H12	51.8°	60.0°
H22	C2	C1	N2	60.7°	59.9°
H22	C2	C1	H11	49.8°	60.0°
H22	C2	C1	H12	179.3°	180.0°
N2	C1	H11	H12	114.7°	120.1°
C1	N2	C	HN2	180.0°	179.9°
C1	N2	C	N3	0.0°	0.0°
C1	N2	C	N1	180.0°	180.0°
H11	C1	N2	C	69.4°	60.1°
H11	C1	N2	HN2	110.6°	120.0°
H12	C1	N2	C	60.2°	60.0°
H12	C1	N2	HN2	119.8°	120.0°
N2	C	N3	N1	180.0°	180.0°
N2	C	N3	HN3	180.0°	179.9°
N2	C	N1	CA	165.1°	180.0°
N2	C	N1	HN1	15.0°	0.0°
HN2	N2	C	N3	180.0°	180.0°
HN2	N2	C	N1	0.0°	0.0°
N3	C	N1	CA	14.9°	0.0°
N3	C	N1	HN1	165.1°	180.0°
N1	C	N3	HN3	0.0°	0.1°
C	N1	CA	HN1	180.0°	180.0°
C	N1	CA	CG	34.2°	85.0°
C	N1	CA	CB	146.3°	155.0°
C	N1	CA	HA	137.1°	35.0°
N1	CA	CG	CB	179.5°	120.0°
N1	CA	CG	HA	5.7°	120.0°
N1	CA	CB	HA	3.7°	120.0°
N1	CA	CG	OG2	114.8°	0.1°
N1	CA	CG	OG1	65.8°	179.9°
N1	CA	CB	CD	53.2°	65.0°
N1	CA	CB	HB1	174.6°	175.0°
N1	CA	CB	HB2	66.9°	55.1°
HN1	N1	CA	CG	145.8°	95.0°
HN1	N1	CA	CB	33.7°	25.0°
HN1	N1	CA	HA	42.9°	145.0°
CG	CA	CB	HA	176.8°	120.0°
CA	CG	OG2	OG1	179.4°	179.9°
CA	CG	OG1	HO1	179.4°	180.0°
CG	CA	CB	CD	126.3°	175.0°
CG	CA	CB	HB1	5.0°	54.9°
CG	CA	CB	HB2	113.6°	65.0°
CB	CA	CG	OG2	65.6°	120.0°
CB	CA	CG	OG1	113.8°	59.9°
CA	CB	CD	HB1	121.4°	120.0°
CA	CB	CD	HB2	120.0°	120.0°
CA	CB	HB1	HB2	121.0°	119.9°
CA	CB	CD	OD1	125.3°	0.0°
CA	CB	CD	OD2	109.8°	180.0°
HA	CA	CG	OG2	109.1°	120.1°
HA	CA	CG	OG1	71.5°	60.0°
HA	CA	CB	CD	56.8°	55.0°
HA	CA	CB	HB1	178.2°	65.0°
HA	CA	CB	HB2	63.2°	175.1°
OG2	CG	OG1	HO1	0.0°	0.1°
CD	CB	HB1	HB2	121.0°	120.0°
CB	CD	OD1	OD2	112.7°	180.0°
CB	CD	OD2	HO2	122.3°	180.0°
HB1	CB	CD	OD1	3.9°	120.1°
HB1	CB	CD	OD2	128.8°	60.0°
HB2	CB	CD	OD1	114.7°	120.0°
HB2	CB	CD	OD2	10.2°	60.0°
OD1	CD	OD2	HO2	0.0°	0.0°

Definition date:	2001-03-30
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1K7W