AN2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N3B	PB	sing	1.68Å	1.66Å
N3B	H3B1	sing	1.01Å	1.00Å
N3B	H3B2	sing	1.01Å	1.00Å
PB	O2B	sing	1.61Å	1.60Å
PB	O1B	doub	1.48Å	1.48Å
PB	O3A	sing	1.61Å	1.68Å
O2B	HO2B	sing	0.97Å	0.95Å
O3A	PA	sing	1.61Å	1.67Å
PA	O1A	doub	1.48Å	1.47Å
PA	O2A	sing	1.61Å	1.51Å
PA	O5'	sing	1.61Å	1.61Å
O2A	HO2A	sing	0.97Å	0.95Å
O5'	C5'	sing	1.43Å	1.48Å
C5'	C4'	sing	1.53Å	1.57Å
C5'	H5'1	sing	1.09Å	1.10Å
C5'	H5'2	sing	1.09Å	1.10Å
C4'	O4'	sing	1.44Å	1.47Å
C4'	C3'	sing	1.55Å	1.53Å
C4'	H4'	sing	1.09Å	1.10Å
O4'	C1'	sing	1.44Å	1.48Å
C3'	O3'	sing	1.43Å	1.45Å
C3'	C2'	sing	1.55Å	1.56Å
C3'	H3'	sing	1.09Å	1.10Å
O3'	HA	sing	0.97Å	0.95Å
C2'	O2'	sing	1.43Å	1.46Å
C2'	C1'	sing	1.54Å	1.57Å
C2'	H2'	sing	1.09Å	1.10Å
O2'	HB	sing	0.97Å	0.95Å
C1'	N9	sing	1.47Å	1.57Å
C1'	H1'	sing	1.09Å	1.10Å
N9	C8	sing	1.36Å	1.34Å	Aromatic
N9	C4	sing	1.37Å	1.37Å	Aromatic
C8	N7	doub	1.30Å	1.35Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
N7	C5	sing	1.35Å	1.33Å	Aromatic
C5	C4	doub	1.40Å	1.39Å	Aromatic
C5	C6	sing	1.40Å	1.40Å	Aromatic
C4	N3	sing	1.33Å	1.36Å	Aromatic
N3	C2	doub	1.32Å	1.33Å	Aromatic
C2	N1	sing	1.32Å	1.38Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
N1	C6	doub	1.33Å	1.40Å	Aromatic
C6	N6	sing	1.38Å	1.32Å
N6	H6N1	sing	0.97Å	1.00Å
N6	H6N2	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
PB	N3B	H3B1	109.4°	106.7°
PB	N3B	H3B2	109.5°	106.7°
N3B	PB	O2B	104.0°	109.4°
N3B	PB	O1B	112.0°	109.5°
N3B	PB	O3A	101.8°	109.5°
H3B1	N3B	H3B2	109.4°	106.7°
O2B	PB	O1B	110.1°	109.5°
O2B	PB	O3A	106.6°	109.5°
PB	O2B	HO2B	109.5°	106.8°
O1B	PB	O3A	120.8°	109.5°
PB	O3A	PA	136.1°	106.8°
O3A	PA	O1A	109.0°	109.5°
O3A	PA	O2A	115.6°	109.5°
O3A	PA	O5'	89.5°	109.5°
O1A	PA	O2A	117.5°	109.5°
O1A	PA	O5'	106.0°	109.5°
O2A	PA	O5'	115.7°	109.5°
PA	O2A	HO2A	109.5°	106.8°
PA	O5'	C5'	118.6°	106.8°
O5'	C5'	C4'	111.6°	109.5°
O5'	C5'	H5'1	108.3°	109.5°
O5'	C5'	H5'2	108.8°	109.5°
C4'	C5'	H5'1	108.3°	109.5°
C4'	C5'	H5'2	108.8°	109.4°
C5'	C4'	O4'	100.9°	110.3°
C5'	C4'	C3'	120.1°	110.5°
C5'	C4'	H4'	107.1°	110.3°
H5'1	C5'	H5'2	111.1°	109.4°
O4'	C4'	C3'	104.6°	104.8°
O4'	C4'	H4'	121.9°	110.4°
C4'	O4'	C1'	112.3°	105.2°
C3'	C4'	H4'	103.5°	110.4°
C4'	C3'	O3'	112.9°	110.5°
C4'	C3'	C2'	101.9°	104.1°
C4'	C3'	H3'	113.3°	110.5°
O4'	C1'	C2'	102.6°	104.9°
O4'	C1'	N9	115.6°	110.4°
O4'	C1'	H1'	109.9°	110.4°
O3'	C3'	C2'	112.3°	110.6°
O3'	C3'	H3'	103.0°	110.5°
C3'	O3'	HA	109.5°	106.8°
C2'	C3'	H3'	113.8°	110.6°
C3'	C2'	O2'	113.9°	110.5°
C3'	C2'	C1'	103.5°	104.0°
C3'	C2'	H2'	111.8°	110.5°
O2'	C2'	C1'	112.8°	110.8°
O2'	C2'	H2'	102.3°	110.4°
C2'	O2'	HB	109.5°	106.9°
C1'	C2'	H2'	112.9°	110.4°
C2'	C1'	N9	108.8°	110.4°
C2'	C1'	H1'	116.6°	110.4°
N9	C1'	H1'	103.8°	110.3°
C1'	N9	C8	123.5°	126.3°
C1'	N9	C4	129.5°	126.3°
C8	N9	C4	107.0°	107.4°
N9	C8	N7	108.8°	110.0°
N9	C8	H8	125.6°	125.0°
N9	C4	C5	108.1°	106.0°
N9	C4	N3	134.3°	134.9°
N7	C8	H8	125.6°	125.0°
C8	N7	C5	109.9°	109.4°
N7	C5	C4	106.2°	107.2°
N7	C5	C6	133.0°	134.7°
C4	C5	C6	120.7°	118.2°
C5	C4	N3	117.6°	119.1°
C5	C6	N1	119.0°	118.5°
C5	C6	N6	120.8°	120.8°
C4	N3	C2	123.2°	120.6°
N3	C2	N1	121.1°	122.5°
N3	C2	H2	119.5°	118.8°
N1	C2	H2	119.4°	118.7°
C2	N1	C6	118.3°	121.2°
N1	C6	N6	120.1°	120.7°
C6	N6	H6N1	109.5°	120.0°
C6	N6	H6N2	109.5°	120.0°
H6N1	N6	H6N2	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
PB	N3B	H3B1	H3B2	120.0°	113.8°
N3B	PB	O2B	O1B	120.2°	120.0°
N3B	PB	O2B	O3A	107.1°	120.0°
N3B	PB	O1B	O3A	119.9°	120.0°
N3B	PB	O2B	HO2B	16.5°	60.0°
N3B	PB	O3A	PA	176.3°	180.0°
H3B1	N3B	PB	O2B	69.2°	60.0°
H3B1	N3B	PB	O1B	49.7°	60.0°
H3B1	N3B	PB	O3A	179.8°	180.0°
H3B2	N3B	PB	O2B	170.9°	53.8°
H3B2	N3B	PB	O1B	70.2°	173.8°
H3B2	N3B	PB	O3A	60.2°	66.2°
O2B	PB	O1B	O3A	124.9°	120.0°
O2B	PB	O3A	PA	75.0°	60.0°
O1B	PB	O2B	HO2B	103.7°	180.0°
O1B	PB	O3A	PA	51.5°	60.0°
O3A	PB	O2B	HO2B	123.6°	59.9°
PB	O3A	PA	O1A	108.6°	40.0°
PB	O3A	PA	O2A	26.3°	80.0°
PB	O3A	PA	O5'	144.7°	160.0°
O3A	PA	O1A	O2A	133.9°	120.0°
O3A	PA	O1A	O5'	95.1°	120.0°
O3A	PA	O2A	O5'	102.7°	120.0°
O3A	PA	O2A	HO2A	164.2°	60.0°
O3A	PA	O5'	C5'	52.1°	175.1°
O1A	PA	O2A	O5'	126.4°	120.0°
O1A	PA	O2A	HO2A	64.9°	180.0°
O1A	PA	O5'	C5'	161.7°	55.0°
O2A	PA	O5'	C5'	66.2°	65.0°
O5'	PA	O2A	HO2A	61.6°	60.0°
PA	O5'	C5'	C4'	136.0°	180.0°
PA	O5'	C5'	H5'1	104.9°	60.0°
PA	O5'	C5'	H5'2	16.0°	60.0°
O5'	C5'	C4'	H5'1	119.1°	120.1°
O5'	C5'	C4'	H5'2	120.0°	120.0°
O5'	C5'	H5'1	H5'2	119.4°	120.0°
O5'	C5'	C4'	O4'	67.9°	66.4°
O5'	C5'	C4'	C3'	46.2°	178.2°
O5'	C5'	C4'	H4'	163.6°	55.8°
C4'	C5'	H5'1	H5'2	119.4°	119.9°
C5'	C4'	O4'	C3'	125.3°	118.9°
C5'	C4'	O4'	H4'	118.2°	122.2°
C5'	C4'	C3'	H4'	119.2°	122.3°
C5'	C4'	O4'	C1'	141.4°	159.5°
C5'	C4'	C3'	O3'	93.6°	98.4°
C5'	C4'	C3'	C2'	145.7°	142.9°
C5'	C4'	C3'	H3'	23.0°	24.2°
H5'1	C5'	C4'	O4'	51.2°	173.5°
H5'1	C5'	C4'	C3'	165.3°	58.1°
H5'1	C5'	C4'	H4'	77.3°	64.3°
H5'2	C5'	C4'	O4'	172.1°	53.5°
H5'2	C5'	C4'	C3'	73.8°	61.8°
H5'2	C5'	C4'	H4'	43.6°	175.8°
O4'	C4'	C3'	H4'	128.6°	118.9°
O4'	C4'	C3'	O3'	154.2°	142.8°
O4'	C4'	C3'	C2'	33.5°	24.1°
O4'	C4'	C3'	H3'	89.2°	94.7°
C4'	O4'	C1'	C2'	8.5°	40.5°
C4'	O4'	C1'	N9	109.7°	159.4°
C4'	O4'	C1'	H1'	133.2°	78.4°
C3'	C4'	O4'	C1'	16.1°	40.6°
C4'	C3'	O3'	C2'	114.5°	114.7°
C4'	C3'	O3'	H3'	122.6°	122.6°
C4'	C3'	C2'	H3'	122.3°	118.7°
C4'	C3'	O3'	HA	156.3°	180.0°
C4'	C3'	C2'	O2'	84.1°	118.8°
C4'	C3'	C2'	C1'	38.8°	0.2°
C4'	C3'	C2'	H2'	160.6°	118.7°
H4'	C4'	O4'	C1'	100.5°	78.3°
H4'	C4'	C3'	O3'	25.6°	23.9°
H4'	C4'	C3'	C2'	95.1°	94.8°
H4'	C4'	C3'	H3'	142.2°	146.5°
O4'	C1'	C2'	C3'	29.2°	23.9°
O4'	C1'	C2'	O2'	94.4°	142.6°
O4'	C1'	C2'	N9	122.9°	118.9°
O4'	C1'	C2'	H1'	120.1°	118.9°
O4'	C1'	C2'	H2'	150.2°	94.7°
O4'	C1'	N9	H1'	120.5°	122.3°
O4'	C1'	N9	C8	22.9°	22.0°
O4'	C1'	N9	C4	160.7°	158.0°
O3'	C3'	C2'	H3'	116.6°	122.7°
O3'	C3'	C2'	O2'	37.0°	0.2°
O3'	C3'	C2'	C1'	159.9°	118.8°
O3'	C3'	C2'	H2'	78.3°	122.7°
C2'	C3'	O3'	HA	41.8°	65.4°
C3'	C2'	O2'	C1'	117.6°	114.8°
C3'	C2'	O2'	H2'	120.8°	122.6°
C3'	C2'	C1'	H2'	121.1°	118.6°
C3'	C2'	O2'	HB	107.7°	61.4°
C3'	C2'	C1'	N9	93.8°	142.7°
C3'	C2'	C1'	H1'	149.3°	95.0°
H3'	C3'	O3'	HA	81.1°	57.4°
H3'	C3'	C2'	O2'	153.6°	122.5°
H3'	C3'	C2'	C1'	83.5°	118.5°
H3'	C3'	C2'	H2'	38.3°	0.0°
O2'	C2'	C1'	H2'	115.4°	122.7°
O2'	C2'	C1'	N9	142.7°	98.5°
O2'	C2'	C1'	H1'	25.7°	23.7°
C1'	C2'	O2'	HB	134.7°	176.1°
C2'	C1'	N9	H1'	124.8°	122.2°
C2'	C1'	N9	C8	91.8°	93.5°
C2'	C1'	N9	C4	84.6°	86.5°
H2'	C2'	O2'	HB	13.1°	61.2°
H2'	C2'	C1'	N9	27.3°	24.2°
H2'	C2'	C1'	H1'	89.6°	146.4°
C1'	N9	C8	C4	177.1°	180.0°
C1'	N9	C8	N7	177.4°	180.0°
C1'	N9	C8	H8	2.6°	0.0°
C1'	N9	C4	C5	176.6°	179.8°
C1'	N9	C4	N3	1.4°	0.0°
H1'	C1'	N9	C8	143.4°	144.3°
H1'	C1'	N9	C4	40.2°	35.7°
N9	C8	N7	H8	180.0°	180.0°
N9	C8	N7	C5	0.8°	0.2°
C8	N9	C4	C5	0.3°	0.2°
C8	N9	C4	N3	178.3°	179.9°
C4	N9	C8	N7	0.2°	0.0°
C4	N9	C8	H8	179.7°	180.0°
N9	C4	C5	N7	0.8°	0.4°
N9	C4	C5	N3	178.3°	179.9°
N9	C4	C5	C6	179.4°	179.7°
N9	C4	N3	C2	179.0°	180.0°
C8	N7	C5	C4	0.9°	0.4°
C8	N7	C5	C6	179.3°	179.5°
H8	C8	N7	C5	179.2°	179.8°
N7	C5	C4	C6	179.8°	179.3°
N7	C5	C4	N3	179.1°	179.8°
N7	C5	C6	N1	179.5°	179.5°
N7	C5	C6	N6	0.4°	0.7°
C5	C4	N3	C2	1.2°	0.2°
C4	C5	C6	N1	0.2°	0.5°
C4	C5	C6	N6	179.3°	179.7°
C6	C5	C4	N3	1.1°	0.5°
C5	C6	N1	C2	1.4°	0.3°
C5	C6	N1	N6	179.1°	179.8°
C5	C6	N6	H6N1	74.4°	179.8°
C5	C6	N6	H6N2	45.7°	0.6°
C4	N3	C2	N1	0.0°	0.0°
C4	N3	C2	H2	180.0°	180.0°
N3	C2	N1	H2	180.0°	180.0°
N3	C2	N1	C6	1.3°	0.0°
C2	N1	C6	N6	179.5°	180.0°
H2	C2	N1	C6	178.7°	180.0°
N1	C6	N6	H6N1	106.5°	0.0°
N1	C6	N6	H6N2	133.4°	179.7°
C6	N6	H6N1	H6N2	120.0°	179.6°

Definition date:	2004-12-17
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI