ADI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
PB	O1B	doub	1.48Å	1.53Å
PB	O2B	sing	1.61Å	1.47Å
PB	O3B	sing	1.61Å	1.54Å
PB	O3A	sing	1.61Å	1.59Å
O2B	HOB2	sing	0.97Å	0.95Å
O3B	HOB3	sing	0.97Å	0.95Å
PA	O1A	doub	1.48Å	1.53Å
PA	O2A	sing	1.61Å	1.48Å
PA	O3A	sing	1.61Å	1.62Å
PA	O5'	sing	1.61Å	1.61Å
O2A	HOA2	sing	0.97Å	0.95Å
O5'	C5'	sing	1.43Å	1.45Å
C5'	C4'	sing	1.53Å	1.52Å
C5'	H5'1	sing	1.09Å	1.11Å
C5'	H5'2	sing	1.09Å	1.11Å
C4'	O4'	sing	1.45Å	1.44Å
C4'	C3'	sing	1.55Å	1.54Å
C4'	H4'	sing	1.09Å	1.11Å
O4'	C1'	sing	1.44Å	1.42Å
C3'	C2'	sing	1.55Å	1.52Å
C3'	H3'1	sing	1.09Å	1.12Å
C3'	H3'2	sing	1.09Å	1.12Å
C2'	C1'	sing	1.54Å	1.50Å
C2'	H2'1	sing	1.09Å	1.12Å
C2'	H2'2	sing	1.09Å	1.12Å
C1'	N9	sing	1.46Å	1.48Å
C1'	H1'	sing	1.09Å	1.11Å
N9	C8	sing	1.36Å	1.39Å	Aromatic
N9	C4	sing	1.37Å	1.38Å	Aromatic
C8	N7	doub	1.30Å	1.30Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
N7	C5	sing	1.35Å	1.38Å	Aromatic
C5	C6	sing	1.40Å	1.43Å	Aromatic
C5	C4	doub	1.40Å	1.39Å	Aromatic
C6	N6	sing	1.38Å	1.33Å
C6	N1	doub	1.33Å	1.37Å	Aromatic
N6	HN61	sing	0.97Å	1.02Å
N6	HN62	sing	0.97Å	1.02Å
N1	C2	sing	1.32Å	1.35Å	Aromatic
C2	N3	doub	1.32Å	1.33Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
N3	C4	sing	1.33Å	1.40Å	Aromatic

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1B	PB	O2B	121.1°	109.4°
O1B	PB	O3B	101.2°	109.5°
O1B	PB	O3A	98.9°	109.4°
O2B	PB	O3B	116.2°	109.5°
O2B	PB	O3A	106.3°	109.5°
PB	O2B	HOB2	121.1°	106.7°
O3B	PB	O3A	111.9°	109.5°
PB	O3B	HOB3	101.2°	106.8°
PB	O3A	PA	131.9°	106.8°
O1A	PA	O2A	121.7°	109.5°
O1A	PA	O3A	102.2°	109.4°
O1A	PA	O5'	111.3°	109.5°
O2A	PA	O3A	114.2°	109.5°
O2A	PA	O5'	108.1°	109.4°
PA	O2A	HOA2	121.8°	106.8°
O3A	PA	O5'	96.3°	109.5°
PA	O5'	C5'	124.8°	106.9°
O5'	C5'	C4'	107.7°	109.5°
O5'	C5'	H5'1	112.9°	109.5°
O5'	C5'	H5'2	112.8°	109.4°
C4'	C5'	H5'1	112.8°	109.5°
C4'	C5'	H5'2	112.9°	109.5°
C5'	C4'	O4'	98.8°	110.7°
C5'	C4'	C3'	107.3°	110.7°
C5'	C4'	H4'	117.0°	110.5°
H5'1	C5'	H5'2	97.6°	109.4°
O4'	C4'	C3'	108.4°	103.6°
O4'	C4'	H4'	116.0°	110.5°
C4'	O4'	C1'	107.8°	106.8°
C3'	C4'	H4'	108.6°	110.6°
C4'	C3'	C2'	96.6°	102.1°
C4'	C3'	H3'1	117.3°	110.9°
C4'	C3'	H3'2	117.3°	110.9°
O4'	C1'	C2'	105.3°	107.5°
O4'	C1'	N9	118.5°	109.9°
O4'	C1'	H1'	107.4°	109.9°
C2'	C3'	H3'1	117.2°	110.9°
C2'	C3'	H3'2	117.2°	110.9°
C3'	C2'	C1'	110.6°	104.2°
C3'	C2'	H2'1	111.8°	110.5°
C3'	C2'	H2'2	111.8°	110.5°
H3'1	C3'	H3'2	93.0°	110.8°
C1'	C2'	H2'1	111.8°	110.5°
C1'	C2'	H2'2	111.8°	110.5°
C2'	C1'	N9	112.6°	109.9°
C2'	C1'	H1'	113.9°	109.8°
H2'1	C2'	H2'2	98.5°	110.6°
N9	C1'	H1'	99.2°	109.8°
C1'	N9	C8	129.5°	126.2°
C1'	N9	C4	124.2°	126.3°
C8	N9	C4	106.3°	107.5°
N9	C8	N7	112.8°	110.0°
N9	C8	H8	126.6°	125.1°
N9	C4	C5	104.7°	106.0°
N9	C4	N3	126.5°	135.0°
N7	C8	H8	120.6°	124.9°
C8	N7	C5	104.7°	109.4°
N7	C5	C6	133.1°	134.7°
N7	C5	C4	111.5°	107.2°
C6	C5	C4	115.3°	118.2°
C5	C6	N6	123.2°	120.8°
C5	C6	N1	116.7°	118.5°
C5	C4	N3	128.8°	119.0°
N6	C6	N1	120.1°	120.7°
C6	N6	HN61	123.2°	120.0°
C6	N6	HN62	107.3°	120.0°
C6	N1	C2	121.8°	121.2°
HN61	N6	HN62	107.3°	120.0°
N1	C2	N3	127.2°	122.5°
N1	C2	H2	117.6°	118.8°
N3	C2	H2	115.2°	118.8°
C2	N3	C4	110.1°	120.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1B	PB	O2B	O3B	123.3°	120.1°
O1B	PB	O2B	O3A	111.4°	119.9°
O1B	PB	O3B	O3A	104.5°	120.0°
O1B	PB	O2B	HOB2	180.0°	60.1°
O1B	PB	O3B	HOB3	180.0°	180.0°
O1B	PB	O3A	PA	68.3°	60.0°
O2B	PB	O3B	O3A	122.3°	120.0°
O2B	PB	O3B	HOB3	46.8°	59.9°
O2B	PB	O3A	PA	165.6°	180.0°
O3B	PB	O2B	HOB2	56.7°	60.0°
O3B	PB	O3A	PA	37.7°	60.0°
O3A	PB	O2B	HOB2	68.6°	180.0°
O3A	PB	O3B	HOB3	75.5°	60.1°
PB	O3A	PA	O1A	46.5°	60.0°
PB	O3A	PA	O2A	87.0°	60.0°
PB	O3A	PA	O5'	160.0°	180.0°
O1A	PA	O2A	O3A	123.5°	120.0°
O1A	PA	O2A	O5'	130.7°	120.0°
O1A	PA	O3A	O5'	113.5°	120.0°
O1A	PA	O2A	HOA2	180.0°	180.0°
O1A	PA	O5'	C5'	11.0°	60.0°
O2A	PA	O3A	O5'	113.1°	120.0°
O2A	PA	O5'	C5'	125.2°	60.0°
O3A	PA	O2A	HOA2	56.5°	60.0°
O3A	PA	O5'	C5'	116.8°	180.0°
O5'	PA	O2A	HOA2	49.3°	60.1°
PA	O5'	C5'	C4'	140.8°	180.0°
PA	O5'	C5'	H5'1	15.6°	60.0°
PA	O5'	C5'	H5'2	93.9°	60.0°
O5'	C5'	C4'	H5'1	125.2°	120.0°
O5'	C5'	C4'	H5'2	125.2°	120.0°
O5'	C5'	H5'1	H5'2	118.8°	119.9°
O5'	C5'	C4'	O4'	68.8°	65.7°
O5'	C5'	C4'	C3'	43.8°	180.0°
O5'	C5'	C4'	H4'	166.0°	57.1°
C4'	C5'	H5'1	H5'2	118.8°	120.0°
C5'	C4'	O4'	C3'	111.7°	118.7°
C5'	C4'	O4'	H4'	125.9°	122.8°
C5'	C4'	C3'	H4'	127.3°	122.9°
C5'	C4'	O4'	C1'	142.4°	158.5°
C5'	C4'	C3'	C2'	139.0°	155.7°
C5'	C4'	C3'	H3'1	13.7°	86.1°
C5'	C4'	C3'	H3'2	95.7°	37.5°
H5'1	C5'	C4'	O4'	166.0°	174.3°
H5'1	C5'	C4'	C3'	81.5°	60.0°
H5'1	C5'	C4'	H4'	40.7°	62.9°
H5'2	C5'	C4'	O4'	56.5°	54.3°
H5'2	C5'	C4'	C3'	169.0°	60.0°
H5'2	C5'	C4'	H4'	68.8°	177.1°
O4'	C4'	C3'	H4'	126.8°	118.4°
O4'	C4'	C3'	C2'	33.1°	36.9°
O4'	C4'	C3'	H3'1	92.1°	155.1°
O4'	C4'	C3'	H3'2	158.4°	81.2°
C4'	O4'	C1'	C2'	12.9°	26.2°
C4'	O4'	C1'	N9	140.0°	145.8°
C4'	O4'	C1'	H1'	108.8°	93.2°
C3'	C4'	O4'	C1'	30.7°	39.8°
C4'	C3'	C2'	H3'1	125.3°	118.2°
C4'	C3'	C2'	H3'2	125.3°	118.2°
C4'	C3'	H3'1	H3'2	123.0°	123.7°
C4'	C3'	C2'	C1'	25.2°	20.9°
C4'	C3'	C2'	H2'1	150.4°	97.8°
C4'	C3'	C2'	H2'2	100.1°	139.5°
H4'	C4'	O4'	C1'	91.7°	78.7°
H4'	C4'	C3'	C2'	93.7°	81.5°
H4'	C4'	C3'	H3'1	141.0°	36.7°
H4'	C4'	C3'	H3'2	31.6°	160.4°
O4'	C1'	C2'	C3'	9.3°	1.9°
O4'	C1'	C2'	N9	130.6°	119.6°
O4'	C1'	C2'	H1'	117.5°	119.5°
O4'	C1'	C2'	H2'1	134.5°	120.6°
O4'	C1'	C2'	H2'2	116.1°	116.7°
O4'	C1'	N9	H1'	115.7°	121.0°
O4'	C1'	N9	C8	18.3°	28.3°
O4'	C1'	N9	C4	160.3°	151.7°
C2'	C3'	H3'1	H3'2	122.9°	123.6°
C3'	C2'	C1'	H2'1	125.2°	118.7°
C3'	C2'	C1'	H2'2	125.3°	118.6°
C3'	C2'	H2'1	H2'2	117.7°	122.6°
C3'	C2'	C1'	N9	121.3°	121.5°
C3'	C2'	C1'	H1'	126.7°	117.6°
H3'1	C3'	C2'	C1'	100.1°	139.1°
H3'1	C3'	C2'	H2'1	25.1°	20.4°
H3'1	C3'	C2'	H2'2	134.6°	102.2°
H3'2	C3'	C2'	C1'	150.5°	97.3°
H3'2	C3'	C2'	H2'1	84.2°	144.0°
H3'2	C3'	C2'	H2'2	25.2°	21.4°
C1'	C2'	H2'1	H2'2	117.7°	122.6°
C2'	C1'	N9	H1'	120.8°	120.9°
C2'	C1'	N9	C8	105.2°	89.8°
C2'	C1'	N9	C4	76.2°	90.3°
H2'1	C2'	C1'	N9	3.9°	119.8°
H2'1	C2'	C1'	H1'	108.0°	1.1°
H2'2	C2'	C1'	N9	113.4°	2.8°
H2'2	C2'	C1'	H1'	1.4°	123.8°
C1'	N9	C8	C4	178.8°	180.0°
C1'	N9	C8	N7	176.4°	180.0°
C1'	N9	C8	H8	3.6°	0.0°
C1'	N9	C4	C5	177.4°	179.8°
C1'	N9	C4	N3	2.3°	0.0°
H1'	C1'	N9	C8	134.0°	149.3°
H1'	C1'	N9	C4	44.6°	30.7°
N9	C8	N7	H8	180.0°	180.0°
N9	C8	N7	C5	2.1°	0.2°
C8	N9	C4	C5	1.5°	0.3°
C8	N9	C4	N3	178.8°	180.0°
C4	N9	C8	N7	2.4°	0.0°
C4	N9	C8	H8	177.6°	180.0°
N9	C4	C5	N7	0.3°	0.4°
N9	C4	C5	C6	179.7°	179.7°
N9	C4	C5	N3	179.7°	179.8°
N9	C4	N3	C2	178.7°	180.0°
C8	N7	C5	C6	178.2°	179.5°
C8	N7	C5	C4	1.1°	0.4°
H8	C8	N7	C5	177.9°	179.8°
N7	C5	C6	C4	179.3°	179.0°
N7	C5	C6	N6	1.9°	0.7°
N7	C5	C6	N1	178.9°	179.6°
N7	C5	C4	N3	180.0°	179.8°
C5	C6	N6	N1	179.1°	179.6°
C5	C6	N6	HN61	180.0°	179.8°
C5	C6	N6	HN62	54.8°	0.6°
C5	C6	N1	C2	1.6°	0.3°
C6	C5	C4	N3	0.6°	0.6°
C4	C5	C6	N6	177.4°	179.8°
C4	C5	C6	N1	1.8°	0.6°
C5	C4	N3	C2	0.9°	0.3°
C6	N6	HN61	HN62	125.2°	179.6°
N6	C6	N1	C2	177.6°	180.0°
N1	C6	N6	HN61	0.8°	0.1°
N1	C6	N6	HN62	124.4°	179.7°
C6	N1	C2	N3	0.1°	0.1°
C6	N1	C2	H2	179.9°	179.9°
N1	C2	N3	H2	180.0°	180.0°
N1	C2	N3	C4	1.3°	0.0°
H2	C2	N3	C4	178.7°	180.0°

Definition date:	2001-09-26
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1JX4