A1R

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	doub	1.36Å	1.42Å	Aromatic
N1	C6	sing	1.35Å	1.45Å	Aromatic
C2	N3	sing	1.35Å	1.46Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
N3	C4	doub	1.34Å	1.45Å	Aromatic
C4	C5	sing	1.39Å	1.41Å	Aromatic
C4	N9	sing	1.37Å	1.39Å	Aromatic
C5	C6	doub	1.39Å	1.50Å	Aromatic
C5	N7	sing	1.37Å	1.38Å	Aromatic
C6	N6	sing	1.41Å	1.42Å
N6	HN61	sing	1.00Å	1.00Å
N6	HN62	sing	1.00Å	1.00Å
N7	C8	doub	1.32Å	1.34Å	Aromatic
C8	N9	sing	1.37Å	1.40Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
N9	C1'	sing	1.46Å	1.47Å
C1'	O4'	sing	1.44Å	1.40Å
C1'	C2'	sing	1.52Å	1.47Å
C1'	H1'	sing	1.10Å	1.10Å
C2'	O2'	sing	1.41Å	1.45Å
C2'	C3'	sing	1.52Å	1.49Å
C2'	H2'	sing	1.10Å	1.10Å
O2'	HO2'	sing	0.97Å	0.95Å
C3'	C4'	sing	1.53Å	1.52Å
C3'	O3'	sing	1.43Å	1.45Å
C3'	H3'	sing	1.09Å	1.10Å
O3'	HO3'	sing	0.97Å	0.95Å
O4'	C4'	sing	1.45Å	1.44Å
C4'	C5'	sing	1.52Å	1.56Å
C4'	H4'	sing	1.09Å	1.10Å
C5'	O5'	sing	1.42Å	1.46Å
C5'	H5'1	sing	1.09Å	1.10Å
C5'	H5'2	sing	1.09Å	1.10Å
O5'	PA	sing	1.62Å	1.54Å
PA	O3A	sing	1.62Å	1.53Å
PA	O1A	doub	1.50Å	1.48Å
PA	O2A	sing	1.62Å	1.47Å
O2A	HO2A	sing	0.98Å	0.95Å
O3A	PB	sing	1.62Å	1.49Å
PB	O2B	doub	1.50Å	1.40Å
PB	O1B	sing	1.62Å	1.46Å
PB	O5N	sing	1.62Å	1.52Å
O1B	HO1B	sing	0.98Å	0.95Å
O5N	C5N	sing	1.42Å	1.35Å
C5N	C4N	sing	1.52Å	1.41Å
C5N	H5N1	sing	1.09Å	1.10Å
C5N	H5N2	sing	1.09Å	1.10Å
N4N	C4N	sing	1.47Å	1.50Å
N4N	C1N	sing	1.47Å	1.49Å
N4N	HN4N	sing	1.02Å	1.00Å
C1N	C2N	sing	1.52Å	1.38Å
C1N	H1N1	sing	1.10Å	1.10Å
C1N	H1N2	sing	1.09Å	1.10Å
O2N	C2N	sing	1.42Å	1.46Å
O2N	HO2N	sing	0.97Å	0.95Å
C2N	C3N	sing	1.52Å	1.44Å
C2N	H2N	sing	1.09Å	1.10Å
O3N	C3N	sing	1.41Å	1.43Å
O3N	HO3N	sing	0.97Å	0.95Å
C3N	C4N	sing	1.53Å	1.52Å
C3N	H3N	sing	1.10Å	1.10Å
C4N	H4N	sing	1.10Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C6	120.5°	117.5°
N1	C2	N3	122.4°	128.8°
N1	C2	H2	118.8°	115.5°
N1	C6	C5	120.1°	119.1°
N1	C6	N6	117.0°	120.2°
N3	C2	H2	118.8°	115.6°
C2	N3	C4	114.0°	110.5°
N3	C4	C5	128.4°	127.2°
N3	C4	N9	126.3°	127.6°
C5	C4	N9	105.3°	105.2°
C4	C5	C6	114.6°	116.9°
C4	C5	N7	110.7°	110.8°
C4	N9	C8	107.0°	107.0°
C4	N9	C1'	120.5°	126.9°
C6	C5	N7	134.8°	132.4°
C5	C6	N6	122.9°	120.7°
C5	N7	C8	105.4°	104.8°
C6	N6	HN61	109.5°	119.4°
C6	N6	HN62	109.5°	119.4°
HN61	N6	HN62	109.5°	120.9°
N7	C8	N9	111.7°	112.2°
N7	C8	H8	124.2°	125.5°
N9	C8	H8	124.2°	122.2°
C8	N9	C1'	132.5°	126.1°
N9	C1'	O4'	103.5°	109.7°
N9	C1'	C2'	121.7°	114.1°
N9	C1'	H1'	105.0°	105.3°
O4'	C1'	C2'	107.7°	106.1°
O4'	C1'	H1'	119.6°	109.0°
C1'	O4'	C4'	111.7°	108.8°
C2'	C1'	H1'	100.5°	112.6°
C1'	C2'	O2'	111.4°	111.9°
C1'	C2'	C3'	105.7°	101.5°
C1'	C2'	H2'	111.9°	111.1°
O2'	C2'	C3'	112.8°	113.0°
O2'	C2'	H2'	104.7°	108.9°
C2'	O2'	HO2'	109.5°	107.2°
C3'	C2'	H2'	110.5°	110.4°
C2'	C3'	C4'	106.0°	102.3°
C2'	C3'	O3'	115.7°	109.5°
C2'	C3'	H3'	107.7°	113.9°
C4'	C3'	O3'	109.5°	108.8°
C4'	C3'	H3'	114.1°	114.5°
C3'	C4'	O4'	104.8°	106.4°
C3'	C4'	C5'	116.6°	112.9°
C3'	C4'	H4'	107.2°	112.0°
O3'	C3'	H3'	104.1°	107.8°
C3'	O3'	HO3'	109.5°	106.4°
O4'	C4'	C5'	107.3°	108.4°
O4'	C4'	H4'	116.6°	107.6°
C5'	C4'	H4'	104.7°	109.3°
C4'	C5'	O5'	109.6°	109.1°
C4'	C5'	H5'1	109.4°	110.6°
C4'	C5'	H5'2	109.4°	110.6°
O5'	C5'	H5'1	109.4°	108.8°
O5'	C5'	H5'2	109.4°	108.8°
C5'	O5'	PA	123.0°	118.5°
H5'1	C5'	H5'2	109.6°	109.1°
O5'	PA	O3A	111.3°	101.1°
O5'	PA	O1A	112.6°	116.1°
O5'	PA	O2A	107.8°	104.3°
O3A	PA	O1A	110.4°	115.0°
O3A	PA	O2A	101.4°	103.5°
PA	O3A	PB	140.1°	131.0°
O1A	PA	O2A	112.8°	115.0°
PA	O2A	HO2A	109.5°	119.0°
O3A	PB	O2B	121.0°	114.2°
O3A	PB	O1B	110.2°	103.2°
O3A	PB	O5N	93.6°	104.5°
O2B	PB	O1B	102.0°	114.4°
O2B	PB	O5N	123.2°	114.8°
O1B	PB	O5N	106.3°	104.4°
PB	O1B	HO1B	109.5°	118.8°
PB	O5N	C5N	135.4°	120.0°
O5N	C5N	C4N	118.3°	108.6°
O5N	C5N	H5N1	106.6°	109.3°
O5N	C5N	H5N2	104.6°	109.2°
C4N	C5N	H5N1	106.6°	110.1°
C4N	C5N	H5N2	104.6°	110.0°
C5N	C4N	N4N	94.0°	112.2°
C5N	C4N	C3N	125.0°	112.8°
C5N	C4N	H4N	110.1°	107.6°
H5N1	C5N	H5N2	116.7°	109.6°
C4N	N4N	C1N	104.7°	108.4°
C4N	N4N	HN4N	111.1°	111.0°
N4N	C4N	C3N	108.4°	105.3°
N4N	C4N	H4N	126.2°	108.7°
C1N	N4N	HN4N	111.1°	109.4°
N4N	C1N	C2N	109.5°	105.8°
N4N	C1N	H1N1	109.5°	108.8°
N4N	C1N	H1N2	109.5°	110.2°
C2N	C1N	H1N1	109.4°	110.0°
C2N	C1N	H1N2	109.4°	112.9°
C1N	C2N	O2N	90.7°	108.9°
C1N	C2N	C3N	113.4°	102.0°
C1N	C2N	H2N	114.9°	113.4°
H1N1	C1N	H1N2	109.5°	109.0°
C2N	O2N	HO2N	109.5°	106.7°
O2N	C2N	C3N	96.1°	111.6°
O2N	C2N	H2N	129.0°	108.2°
C3N	C2N	H2N	110.8°	112.8°
C2N	C3N	O3N	126.3°	111.3°
C2N	C3N	C4N	104.0°	102.6°
C2N	C3N	H3N	102.3°	110.3°
C3N	O3N	HO3N	109.5°	107.3°
O3N	C3N	C4N	110.9°	112.6°
O3N	C3N	H3N	93.7°	108.9°
C4N	C3N	H3N	120.6°	111.0°
C3N	C4N	H4N	96.1°	110.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C2	N3	H2	180.0°	179.9°
N1	C2	N3	C4	0.0°	0.1°
C2	N1	C6	C5	0.2°	0.0°
C2	N1	C6	N6	179.9°	180.0°
C6	N1	C2	N3	0.1°	0.1°
C6	N1	C2	H2	179.9°	179.9°
N1	C6	C5	C4	0.2°	0.0°
N1	C6	C5	N6	179.7°	179.9°
N1	C6	C5	N7	179.7°	180.0°
N1	C6	N6	HN61	175.4°	175.9°
N1	C6	N6	HN62	55.4°	10.3°
C2	N3	C4	C5	0.1°	0.0°
C2	N3	C4	N9	179.5°	179.9°
H2	C2	N3	C4	180.0°	179.9°
N3	C4	C5	N9	179.7°	180.0°
N3	C4	C5	C6	0.0°	0.0°
N3	C4	C5	N7	179.9°	180.0°
N3	C4	N9	C8	179.8°	180.0°
N3	C4	N9	C1'	0.5°	0.1°
C4	C5	C6	N7	179.9°	179.9°
C4	C5	C6	N6	179.8°	179.9°
C4	C5	N7	C8	0.2°	0.0°
C5	C4	N9	C8	0.2°	0.0°
C5	C4	N9	C1'	179.2°	180.0°
N9	C4	C5	C6	179.7°	180.0°
N9	C4	C5	N7	0.2°	0.0°
C4	N9	C8	N7	0.0°	0.0°
C4	N9	C8	C1'	179.3°	179.9°
C4	N9	C8	H8	180.0°	180.0°
C4	N9	C1'	O4'	97.8°	147.0°
C4	N9	C1'	C2'	141.1°	94.1°
C4	N9	C1'	H1'	28.4°	29.9°
C5	C6	N6	HN61	4.9°	4.2°
C5	C6	N6	HN62	124.9°	169.7°
C6	C5	N7	C8	179.6°	180.0°
N7	C5	C6	N6	0.0°	0.1°
C5	N7	C8	N9	0.1°	0.0°
C5	N7	C8	H8	179.9°	180.0°
C6	N6	HN61	HN62	120.0°	173.7°
N7	C8	N9	H8	180.0°	180.0°
N7	C8	N9	C1'	179.3°	180.0°
C8	N9	C1'	O4'	81.4°	32.9°
C8	N9	C1'	C2'	39.7°	86.0°
C8	N9	C1'	H1'	152.5°	150.0°
H8	C8	N9	C1'	0.7°	0.0°
N9	C1'	O4'	C2'	130.1°	123.7°
N9	C1'	O4'	H1'	116.2°	114.8°
N9	C1'	C2'	H1'	115.0°	120.0°
N9	C1'	C2'	O2'	98.7°	84.0°
N9	C1'	C2'	C3'	138.4°	155.2°
N9	C1'	C2'	H2'	18.0°	37.9°
N9	C1'	O4'	C4'	141.7°	140.6°
O4'	C1'	C2'	H1'	125.9°	119.2°
O4'	C1'	C2'	O2'	142.2°	155.1°
O4'	C1'	C2'	C3'	19.3°	34.3°
O4'	C1'	C2'	H2'	101.0°	83.0°
C1'	O4'	C4'	C3'	0.9°	7.5°
C1'	O4'	C4'	C5'	123.8°	114.3°
C1'	O4'	C4'	H4'	119.2°	127.7°
C1'	C2'	O2'	C3'	118.8°	113.8°
C1'	C2'	O2'	H2'	121.1°	123.2°
C1'	C2'	C3'	H2'	121.2°	117.9°
C1'	C2'	O2'	HO2'	173.3°	69.1°
C1'	C2'	C3'	C4'	19.5°	37.5°
C1'	C2'	C3'	O3'	102.0°	77.8°
C1'	C2'	C3'	H3'	142.0°	161.5°
C2'	C1'	O4'	C4'	11.6°	17.0°
H1'	C1'	C2'	O2'	16.3°	35.9°
H1'	C1'	C2'	C3'	106.6°	84.9°
H1'	C1'	C2'	H2'	133.1°	157.8°
H1'	C1'	O4'	C4'	102.1°	104.6°
O2'	C2'	C3'	H2'	116.8°	122.2°
O2'	C2'	C3'	C4'	141.5°	157.4°
O2'	C2'	C3'	O3'	20.0°	42.1°
O2'	C2'	C3'	H3'	96.0°	78.5°
C3'	C2'	O2'	HO2'	54.5°	44.7°
C2'	C3'	C4'	O3'	125.4°	115.8°
C2'	C3'	C4'	H3'	118.4°	123.6°
C2'	C3'	O3'	H3'	118.0°	124.3°
C2'	C3'	O3'	HO3'	130.2°	73.7°
C2'	C3'	C4'	O4'	12.7°	28.6°
C2'	C3'	C4'	C5'	105.8°	90.2°
C2'	C3'	C4'	H4'	137.2°	146.0°
H2'	C2'	O2'	HO2'	65.6°	167.7°
H2'	C2'	C3'	C4'	101.7°	80.4°
H2'	C2'	C3'	O3'	136.8°	164.3°
H2'	C2'	C3'	H3'	20.8°	43.6°
C4'	C3'	O3'	H3'	122.4°	124.6°
C4'	C3'	O3'	HO3'	110.1°	175.3°
C3'	C4'	O4'	C5'	124.6°	121.7°
C3'	C4'	O4'	H4'	118.4°	120.2°
C3'	C4'	C5'	H4'	118.3°	125.4°
C3'	C4'	C5'	O5'	61.5°	60.4°
C3'	C4'	C5'	H5'1	58.5°	180.0°
C3'	C4'	C5'	H5'2	178.5°	59.1°
O3'	C3'	C4'	O4'	112.7°	87.1°
O3'	C3'	C4'	C5'	128.8°	154.1°
O3'	C3'	C4'	H4'	11.8°	30.2°
H3'	C3'	O3'	HO3'	12.2°	50.6°
H3'	C3'	C4'	O4'	131.1°	152.3°
H3'	C3'	C4'	C5'	12.6°	33.5°
H3'	C3'	C4'	H4'	104.4°	90.4°
O4'	C4'	C5'	H4'	124.5°	117.0°
O4'	C4'	C5'	O5'	178.7°	178.1°
O4'	C4'	C5'	H5'1	58.7°	62.4°
O4'	C4'	C5'	H5'2	61.4°	58.6°
C4'	C5'	O5'	H5'1	120.0°	120.6°
C4'	C5'	O5'	H5'2	119.9°	120.7°
C4'	C5'	H5'1	H5'2	119.9°	121.8°
C4'	C5'	O5'	PA	179.2°	180.0°
H4'	C4'	C5'	O5'	56.8°	64.9°
H4'	C4'	C5'	H5'1	176.8°	54.6°
H4'	C4'	C5'	H5'2	63.1°	175.5°
O5'	C5'	H5'1	H5'2	120.0°	118.5°
C5'	O5'	PA	O3A	70.5°	54.8°
C5'	O5'	PA	O1A	54.1°	180.0°
C5'	O5'	PA	O2A	179.2°	52.4°
H5'1	C5'	O5'	PA	60.8°	59.3°
H5'2	C5'	O5'	PA	59.3°	59.3°
O5'	PA	O3A	O1A	125.8°	126.0°
O5'	PA	O3A	O2A	114.4°	107.8°
O5'	PA	O1A	O2A	122.3°	122.2°
O5'	PA	O2A	HO2A	171.7°	176.9°
O5'	PA	O3A	PB	52.4°	174.0°
O3A	PA	O1A	O2A	112.6°	120.0°
O3A	PA	O2A	HO2A	54.6°	77.6°
PA	O3A	PB	O2B	119.6°	60.0°
PA	O3A	PB	O1B	1.0°	64.8°
PA	O3A	PB	O5N	107.8°	173.8°
O1A	PA	O2A	HO2A	63.4°	48.6°
O1A	PA	O3A	PB	178.2°	60.0°
O2A	PA	O3A	PB	62.0°	66.2°
O3A	PB	O2B	O1B	122.6°	118.6°
O3A	PB	O2B	O5N	118.7°	120.7°
O3A	PB	O1B	O5N	100.2°	109.0°
O3A	PB	O1B	HO1B	71.8°	170.9°
O3A	PB	O5N	C5N	68.5°	54.1°
O2B	PB	O1B	O5N	130.1°	126.3°
O2B	PB	O1B	HO1B	158.5°	46.2°
O2B	PB	O5N	C5N	62.6°	180.0°
O1B	PB	O5N	C5N	179.2°	53.9°
O5N	PB	O1B	HO1B	28.4°	80.1°
PB	O5N	C5N	C4N	129.8°	150.0°
PB	O5N	C5N	H5N1	9.8°	89.9°
PB	O5N	C5N	H5N2	114.4°	30.0°
O5N	C5N	C4N	H5N1	120.0°	119.6°
O5N	C5N	C4N	H5N2	115.8°	119.5°
O5N	C5N	H5N1	H5N2	116.4°	119.6°
O5N	C5N	C4N	N4N	159.2°	179.2°
O5N	C5N	C4N	C3N	85.0°	60.5°
O5N	C5N	C4N	H4N	28.2°	61.3°
C4N	C5N	H5N1	H5N2	116.4°	121.1°
C5N	C4N	N4N	C3N	129.0°	123.1°
C5N	C4N	N4N	H4N	118.5°	118.9°
C5N	C4N	N4N	C1N	128.9°	135.4°
C5N	C4N	N4N	HN4N	111.1°	15.2°
C5N	C4N	C3N	C2N	108.8°	155.2°
C5N	C4N	C3N	O3N	112.8°	85.0°
C5N	C4N	C3N	H4N	119.8°	120.3°
C5N	C4N	C3N	H3N	4.9°	37.4°
H5N1	C5N	C4N	N4N	39.2°	61.3°
H5N1	C5N	C4N	C3N	155.0°	180.0°
H5N1	C5N	C4N	H4N	91.7°	58.2°
H5N2	C5N	C4N	N4N	85.0°	59.6°
H5N2	C5N	C4N	C3N	30.8°	59.1°
H5N2	C5N	C4N	H4N	144.1°	179.1°
C4N	N4N	C1N	HN4N	120.0°	121.2°
C4N	N4N	C1N	C2N	0.2°	12.9°
C4N	N4N	C1N	H1N1	120.2°	105.3°
C4N	N4N	C1N	H1N2	119.8°	135.4°
N4N	C4N	C3N	C2N	0.0°	32.5°
N4N	C4N	C3N	O3N	138.4°	152.3°
N4N	C4N	C3N	H4N	131.5°	117.0°
N4N	C4N	C3N	H3N	113.7°	85.2°
N4N	C1N	C2N	H1N1	120.0°	117.3°
N4N	C1N	C2N	H1N2	120.0°	120.7°
N4N	C1N	H1N1	H1N2	120.0°	120.2°
N4N	C1N	C2N	O2N	96.7°	85.2°
N4N	C1N	C2N	C3N	0.2°	32.9°
N4N	C1N	C2N	H2N	129.0°	154.4°
C1N	N4N	C4N	C3N	0.1°	12.3°
C1N	N4N	C4N	H4N	112.6°	105.7°
HN4N	N4N	C1N	C2N	119.8°	134.1°
HN4N	N4N	C1N	H1N1	0.2°	15.9°
HN4N	N4N	C1N	H1N2	120.2°	103.5°
HN4N	N4N	C4N	C3N	119.9°	107.9°
HN4N	N4N	C4N	H4N	7.4°	134.1°
C2N	C1N	H1N1	H1N2	120.0°	124.3°
C1N	C2N	O2N	C3N	113.6°	111.8°
C1N	C2N	O2N	H2N	123.4°	123.6°
C1N	C2N	O2N	HO2N	132.9°	39.9°
C1N	C2N	C3N	H2N	130.9°	121.9°
C1N	C2N	C3N	O3N	129.9°	160.3°
C1N	C2N	C3N	C4N	0.1°	39.6°
C1N	C2N	C3N	H3N	126.2°	78.7°
H1N1	C1N	C2N	O2N	23.3°	157.5°
H1N1	C1N	C2N	C3N	120.2°	84.5°
H1N1	C1N	C2N	H2N	111.0°	37.0°
H1N2	C1N	C2N	O2N	143.3°	35.5°
H1N2	C1N	C2N	C3N	119.8°	153.5°
H1N2	C1N	C2N	H2N	9.0°	85.0°
O2N	C2N	C3N	H2N	135.8°	122.0°
O2N	C2N	C3N	O3N	36.5°	44.3°
O2N	C2N	C3N	C4N	93.3°	76.4°
O2N	C2N	C3N	H3N	140.5°	165.3°
HO2N	O2N	C2N	C3N	113.4°	72.0°
HO2N	O2N	C2N	H2N	9.5°	163.4°
C2N	C3N	O3N	C4N	127.0°	114.6°
C2N	C3N	O3N	H3N	108.1°	121.8°
C2N	C3N	O3N	HO3N	9.4°	76.9°
C2N	C3N	C4N	H3N	113.7°	117.8°
C2N	C3N	C4N	H4N	131.4°	84.5°
H2N	C2N	C3N	O3N	99.3°	77.7°
H2N	C2N	C3N	C4N	131.0°	161.6°
H2N	C2N	C3N	H3N	4.7°	43.3°
O3N	C3N	C4N	H3N	107.9°	122.5°
O3N	C3N	C4N	H4N	7.0°	35.3°
HO3N	O3N	C3N	C4N	136.4°	37.7°
HO3N	O3N	C3N	H3N	98.7°	161.4°
H3N	C3N	C4N	H4N	114.9°	157.8°

Definition date:	2007-01-09
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI