TYA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OPP	P	sing	1.61Å	1.55Å
OPP	C	sing	1.43Å	1.44Å
P	O1P	doub	1.54Å	1.48Å
P	O2P	sing	1.55Å	1.47Å
P	O5'	sing	1.61Å	1.57Å
O5'	C5'	sing	1.43Å	1.42Å
C5'	C4'	sing	1.53Å	1.55Å
C5'	H5'1	sing	1.09Å	1.11Å
C5'	H5'2	sing	1.09Å	1.11Å
C4'	O4'	sing	1.44Å	1.46Å
C4'	C3'	sing	1.54Å	1.53Å
C4'	H4'	sing	1.09Å	1.11Å
O4'	C1'	sing	1.44Å	1.39Å
C3'	O3'	sing	1.43Å	1.40Å
C3'	C2'	sing	1.55Å	1.54Å
C3'	H3'	sing	1.09Å	1.12Å
O3'	HO'3	sing	0.97Å	0.95Å
C2'	O2'	sing	1.43Å	1.45Å
C2'	C1'	sing	1.55Å	1.49Å
C2'	H2'	sing	1.09Å	1.12Å
O2'	HO'2	sing	0.97Å	0.95Å
C1'	N9	sing	1.46Å	1.44Å
C1'	H1'	sing	1.09Å	1.12Å
N9	C8	sing	1.36Å	1.35Å	Aromatic
N9	C4	sing	1.37Å	1.39Å	Aromatic
C8	N7	doub	1.30Å	1.34Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
N7	C5	sing	1.35Å	1.39Å	Aromatic
C5	C6	sing	1.40Å	1.42Å	Aromatic
C5	C4	doub	1.40Å	1.36Å	Aromatic
C6	N6	sing	1.38Å	1.33Å
C6	N1	doub	1.33Å	1.36Å	Aromatic
N6	H61	sing	0.97Å	1.02Å
N6	H62	sing	0.97Å	1.02Å
N1	C2	sing	1.32Å	1.37Å	Aromatic
C2	N3	doub	1.32Å	1.29Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
N3	C4	sing	1.33Å	1.36Å	Aromatic
NH2	CA	sing	1.47Å	1.48Å
NH2	HN1	sing	1.01Å	1.02Å
NH2	HN2	sing	1.01Å	1.02Å
CA	C	sing	1.53Å	1.50Å
CA	CB	sing	1.53Å	1.53Å
CA	HA	sing	1.09Å	1.11Å
C	H1	sing	1.09Å	1.11Å
C	H2A	sing	1.09Å	1.12Å
CB	CG	sing	1.51Å	1.41Å
CB	HB1	sing	1.09Å	1.11Å
CB	HB2	sing	1.09Å	1.11Å
CG	CD1	doub	1.38Å	1.39Å	Aromatic
CG	CD2	sing	1.38Å	1.41Å	Aromatic
CD1	CE1	sing	1.38Å	1.40Å	Aromatic
CD1	HD1	sing	1.08Å	1.10Å
CD2	CE2	doub	1.38Å	1.40Å	Aromatic
CD2	HD2	sing	1.08Å	1.10Å
CE1	CZ	doub	1.39Å	1.39Å	Aromatic
CE1	HE1	sing	1.08Å	1.10Å
CE2	CZ	sing	1.39Å	1.39Å	Aromatic
CE2	HE2	sing	1.08Å	1.10Å
CZ	OH	sing	1.36Å	1.35Å
OH	HH	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
P	OPP	C	114.6°	106.8°
OPP	P	O1P	119.2°	109.5°
OPP	P	O2P	116.2°	109.5°
OPP	P	O5'	106.4°	109.5°
OPP	C	CA	113.6°	109.5°
OPP	C	H1	110.7°	109.5°
OPP	C	H2A	110.7°	109.5°
O1P	P	O2P	93.4°	109.5°
O1P	P	O5'	110.3°	109.5°
O2P	P	O5'	111.0°	109.4°
P	O5'	C5'	121.0°	106.8°
O5'	C5'	C4'	105.1°	109.4°
O5'	C5'	H5'1	113.8°	109.4°
O5'	C5'	H5'2	113.8°	109.5°
C4'	C5'	H5'1	113.9°	109.5°
C4'	C5'	H5'2	113.9°	109.5°
C5'	C4'	O4'	102.2°	109.9°
C5'	C4'	C3'	114.5°	109.9°
C5'	C4'	H4'	109.9°	109.9°
H5'1	C5'	H5'2	96.6°	109.5°
O4'	C4'	C3'	105.7°	107.4°
O4'	C4'	H4'	118.2°	109.8°
C4'	O4'	C1'	107.2°	107.0°
C3'	C4'	H4'	106.6°	109.9°
C4'	C3'	O3'	114.9°	110.8°
C4'	C3'	C2'	103.8°	104.0°
C4'	C3'	H3'	109.4°	110.4°
O4'	C1'	C2'	113.4°	103.5°
O4'	C1'	N9	113.8°	110.6°
O4'	C1'	H1'	110.6°	110.6°
O3'	C3'	C2'	108.2°	110.5°
O3'	C3'	H3'	105.0°	110.4°
C3'	O3'	HO'3	114.9°	106.8°
C2'	C3'	H3'	115.9°	110.5°
C3'	C2'	O2'	109.7°	110.9°
C3'	C2'	C1'	99.8°	102.1°
C3'	C2'	H2'	116.7°	111.0°
O2'	C2'	C1'	113.1°	110.9°
O2'	C2'	H2'	104.3°	110.8°
C2'	O2'	HO'2	109.7°	106.8°
C1'	C2'	H2'	113.6°	110.9°
C2'	C1'	N9	122.5°	110.8°
C2'	C1'	H1'	96.6°	110.6°
N9	C1'	H1'	95.9°	110.6°
C1'	N9	C8	132.3°	126.3°
C1'	N9	C4	122.1°	126.3°
C8	N9	C4	105.6°	107.4°
N9	C8	N7	113.8°	110.0°
N9	C8	H8	123.5°	125.0°
N9	C4	C5	106.2°	106.0°
N9	C4	N3	126.6°	134.9°
N7	C8	H8	122.7°	125.0°
C8	N7	C5	103.4°	109.4°
N7	C5	C6	131.6°	134.7°
N7	C5	C4	110.9°	107.2°
C6	C5	C4	117.3°	118.2°
C5	C6	N6	125.4°	120.8°
C5	C6	N1	115.9°	118.5°
C5	C4	N3	127.2°	119.1°
N6	C6	N1	118.7°	120.7°
C6	N6	H61	125.4°	120.0°
C6	N6	H62	106.6°	120.0°
C6	N1	C2	119.7°	121.2°
H61	N6	H62	106.6°	120.0°
N1	C2	N3	128.2°	122.5°
N1	C2	H2	119.5°	118.7°
N3	C2	H2	112.4°	118.8°
C2	N3	C4	111.7°	120.6°
CA	NH2	HN1	108.6°	106.7°
CA	NH2	HN2	112.6°	106.7°
NH2	CA	C	108.6°	109.5°
NH2	CA	CB	109.2°	109.5°
NH2	CA	HA	111.6°	109.5°
HN1	NH2	HN2	112.5°	106.8°
C	CA	CB	113.4°	109.5°
C	CA	HA	107.4°	109.4°
CA	C	H1	110.7°	109.5°
CA	C	H2A	110.6°	109.5°
CB	CA	HA	106.7°	109.4°
CA	CB	CG	111.8°	109.5°
CA	CB	HB1	111.4°	109.4°
CA	CB	HB2	111.4°	109.5°
H1	C	H2A	99.6°	109.4°
CG	CB	HB1	111.3°	109.5°
CG	CB	HB2	111.3°	109.5°
CB	CG	CD1	119.1°	119.9°
CB	CG	CD2	121.9°	119.9°
HB1	CB	HB2	99.1°	109.4°
CD1	CG	CD2	119.0°	120.1°
CG	CD1	CE1	120.5°	120.0°
CG	CD1	HD1	119.4°	120.0°
CG	CD2	CE2	120.3°	120.0°
CG	CD2	HD2	120.3°	120.0°
CE1	CD1	HD1	120.1°	119.9°
CD1	CE1	CZ	120.4°	119.9°
CD1	CE1	HE1	119.9°	120.0°
CE2	CD2	HD2	119.4°	120.0°
CD2	CE2	CZ	120.0°	120.0°
CD2	CE2	HE2	120.4°	120.0°
CZ	CE1	HE1	119.7°	120.0°
CE1	CZ	CE2	119.8°	119.9°
CE1	CZ	OH	117.0°	120.0°
CZ	CE2	HE2	119.6°	120.0°
CE2	CZ	OH	123.2°	120.1°
CZ	OH	HH	117.0°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OPP	P	O1P	O2P	122.6°	120.0°
OPP	P	O1P	O5'	123.5°	120.0°
OPP	P	O2P	O5'	121.7°	120.0°
OPP	P	O5'	C5'	171.8°	174.9°
P	OPP	C	CA	137.9°	180.0°
P	OPP	C	H1	12.6°	59.9°
P	OPP	C	H2A	96.9°	60.0°
C	OPP	P	O1P	133.1°	65.0°
C	OPP	P	O2P	116.4°	55.1°
C	OPP	P	O5'	7.7°	175.0°
OPP	C	CA	NH2	51.0°	65.0°
OPP	C	CA	H1	125.3°	120.1°
OPP	C	CA	H2A	125.3°	120.0°
OPP	C	CA	CB	70.6°	175.0°
OPP	C	CA	HA	171.8°	55.0°
OPP	C	H1	H2A	116.6°	120.0°
O1P	P	O2P	O5'	113.3°	120.0°
O1P	P	O5'	C5'	57.6°	65.0°
O2P	P	O5'	C5'	44.5°	55.0°
P	O5'	C5'	C4'	152.3°	180.0°
P	O5'	C5'	H5'1	82.4°	60.0°
P	O5'	C5'	H5'2	27.0°	60.0°
O5'	C5'	C4'	H5'1	125.2°	119.9°
O5'	C5'	C4'	H5'2	125.2°	120.0°
O5'	C5'	H5'1	H5'2	119.7°	120.0°
O5'	C5'	C4'	O4'	146.2°	66.7°
O5'	C5'	C4'	C3'	32.4°	175.3°
O5'	C5'	C4'	H4'	87.5°	54.3°
C4'	C5'	H5'1	H5'2	119.8°	120.0°
C5'	C4'	O4'	C3'	120.1°	119.5°
C5'	C4'	O4'	H4'	120.7°	121.0°
C5'	C4'	C3'	H4'	121.8°	121.0°
C5'	C4'	O4'	C1'	105.5°	145.9°
C5'	C4'	C3'	O3'	159.3°	119.8°
C5'	C4'	C3'	C2'	82.8°	121.4°
C5'	C4'	C3'	H3'	41.5°	2.9°
H5'1	C5'	C4'	O4'	88.6°	53.3°
H5'1	C5'	C4'	C3'	157.7°	64.7°
H5'1	C5'	C4'	H4'	37.7°	174.2°
H5'2	C5'	C4'	O4'	20.9°	173.3°
H5'2	C5'	C4'	C3'	92.8°	55.3°
H5'2	C5'	C4'	H4'	147.2°	65.7°
O4'	C4'	C3'	H4'	126.5°	119.5°
O4'	C4'	C3'	O3'	89.1°	120.7°
O4'	C4'	C3'	C2'	28.9°	1.9°
O4'	C4'	C3'	H3'	153.2°	116.6°
C4'	O4'	C1'	C2'	6.1°	40.0°
C4'	O4'	C1'	N9	152.4°	158.7°
C4'	O4'	C1'	H1'	101.0°	78.4°
C3'	C4'	O4'	C1'	14.6°	26.4°
C4'	C3'	O3'	C2'	115.5°	114.8°
C4'	C3'	O3'	H3'	120.2°	122.7°
C4'	C3'	C2'	H3'	119.9°	118.5°
C4'	C3'	O3'	HO'3	180.0°	176.2°
C4'	C3'	C2'	O2'	149.4°	139.2°
C4'	C3'	C2'	C1'	30.4°	21.0°
C4'	C3'	C2'	H2'	92.3°	97.2°
H4'	C4'	O4'	C1'	133.8°	93.1°
H4'	C4'	C3'	O3'	37.5°	1.2°
H4'	C4'	C3'	C2'	155.4°	117.6°
H4'	C4'	C3'	H3'	80.3°	123.9°
O4'	C1'	C2'	C3'	23.6°	37.1°
O4'	C1'	C2'	O2'	140.1°	155.3°
O4'	C1'	C2'	N9	142.9°	118.6°
O4'	C1'	C2'	H1'	115.8°	118.5°
O4'	C1'	C2'	H2'	101.3°	81.1°
O4'	C1'	N9	H1'	115.6°	122.9°
O4'	C1'	N9	C8	64.1°	23.5°
O4'	C1'	N9	C4	114.5°	156.7°
O3'	C3'	C2'	H3'	117.6°	122.5°
O3'	C3'	C2'	O2'	26.9°	20.3°
O3'	C3'	C2'	C1'	92.1°	97.9°
O3'	C3'	C2'	H2'	145.2°	143.9°
C2'	C3'	O3'	HO'3	64.5°	61.5°
C3'	C2'	O2'	C1'	110.4°	112.7°
C3'	C2'	O2'	H2'	125.7°	123.7°
C3'	C2'	C1'	H2'	125.0°	118.3°
C3'	C2'	O2'	HO'2	179.9°	67.3°
C3'	C2'	C1'	N9	166.5°	155.7°
C3'	C2'	C1'	H1'	92.1°	81.4°
H3'	C3'	O3'	HO'3	59.8°	61.1°
H3'	C3'	C2'	O2'	90.6°	102.3°
H3'	C3'	C2'	C1'	150.4°	139.5°
H3'	C3'	C2'	H2'	27.6°	21.3°
O2'	C2'	C1'	H2'	118.6°	123.6°
O2'	C2'	C1'	N9	77.1°	86.2°
O2'	C2'	C1'	H1'	24.3°	36.8°
C1'	C2'	O2'	HO'2	69.6°	180.0°
C2'	C1'	N9	H1'	101.7°	123.0°
C2'	C1'	N9	C8	78.7°	90.6°
C2'	C1'	N9	C4	102.8°	89.1°
H2'	C2'	O2'	HO'2	54.2°	56.3°
H2'	C2'	C1'	N9	41.5°	37.4°
H2'	C2'	C1'	H1'	142.9°	160.4°
C1'	N9	C8	C4	178.8°	179.8°
C1'	N9	C8	N7	179.0°	180.0°
C1'	N9	C8	H8	1.1°	0.0°
C1'	N9	C4	C5	179.1°	179.9°
C1'	N9	C4	N3	0.1°	0.7°
H1'	C1'	N9	C8	179.6°	146.4°
H1'	C1'	N9	C4	1.1°	33.9°
N9	C8	N7	H8	179.9°	180.0°
N9	C8	N7	C5	1.6°	0.0°
C8	N9	C4	C5	2.0°	0.3°
C8	N9	C4	N3	178.9°	179.5°
C4	N9	C8	N7	0.3°	0.2°
C4	N9	C8	H8	179.8°	179.8°
N9	C4	C5	N7	3.1°	0.3°
N9	C4	C5	C6	179.2°	179.8°
N9	C4	C5	N3	179.1°	179.3°
N9	C4	N3	C2	179.3°	179.6°
C8	N7	C5	C6	178.2°	180.0°
C8	N7	C5	C4	2.9°	0.2°
H8	C8	N7	C5	178.4°	180.0°
N7	C5	C6	C4	175.1°	179.8°
N7	C5	C6	N6	3.9°	0.1°
N7	C5	C6	N1	178.0°	180.0°
N7	C5	C4	N3	177.8°	179.6°
C5	C6	N6	N1	178.0°	180.0°
C5	C6	N6	H61	180.0°	0.0°
C5	C6	N6	H62	54.7°	180.0°
C5	C6	N1	C2	3.1°	0.0°
C6	C5	C4	N3	1.7°	0.5°
C4	C5	C6	N6	179.0°	179.7°
C4	C5	C6	N1	3.0°	0.2°
C5	C4	N3	C2	0.4°	0.6°
C6	N6	H61	H62	125.2°	180.0°
N6	C6	N1	C2	178.7°	180.0°
N1	C6	N6	H61	2.0°	180.0°
N1	C6	N6	H62	123.2°	0.0°
C6	N1	C2	N3	2.1°	0.0°
C6	N1	C2	H2	178.0°	179.9°
N1	C2	N3	H2	180.0°	179.9°
N1	C2	N3	C4	0.5°	0.3°
H2	C2	N3	C4	179.5°	179.8°
CA	NH2	HN1	HN2	125.3°	113.8°
NH2	CA	C	CB	121.6°	120.0°
NH2	CA	C	HA	120.8°	120.0°
NH2	CA	CB	HA	120.8°	120.0°
NH2	CA	C	H1	176.3°	175.0°
NH2	CA	C	H2A	74.3°	55.0°
NH2	CA	CB	CG	84.3°	65.0°
NH2	CA	CB	HB1	40.9°	55.0°
NH2	CA	CB	HB2	150.4°	174.9°
HN1	NH2	CA	C	180.0°	60.0°
HN1	NH2	CA	CB	55.9°	60.1°
HN1	NH2	CA	HA	61.8°	180.0°
HN2	NH2	CA	C	54.7°	173.8°
HN2	NH2	CA	CB	69.4°	53.8°
HN2	NH2	CA	HA	172.9°	66.2°
C	CA	CB	HA	118.0°	120.0°
CA	C	H1	H2A	116.5°	120.0°
C	CA	CB	CG	154.5°	175.0°
C	CA	CB	HB1	80.3°	65.0°
C	CA	CB	HB2	29.2°	54.9°
CB	CA	C	H1	54.8°	54.9°
CB	CA	C	H2A	164.2°	65.0°
CA	CB	CG	HB1	125.2°	120.0°
CA	CB	CG	HB2	125.3°	120.1°
CA	CB	HB1	HB2	117.3°	120.0°
CA	CB	CG	CD1	59.4°	90.0°
CA	CB	CG	CD2	120.9°	90.3°
HA	CA	C	H1	62.8°	65.0°
HA	CA	C	H2A	46.6°	175.0°
HA	CA	CB	CG	36.5°	55.0°
HA	CA	CB	HB1	161.7°	175.0°
HA	CA	CB	HB2	88.8°	65.1°
CG	CB	HB1	HB2	117.2°	120.0°
CB	CG	CD1	CD2	179.7°	179.7°
CB	CG	CD1	CE1	178.8°	180.0°
CB	CG	CD1	HD1	1.2°	0.0°
CB	CG	CD2	CE2	179.0°	179.7°
CB	CG	CD2	HD2	0.9°	0.2°
HB1	CB	CG	CD1	175.4°	30.0°
HB1	CB	CG	CD2	4.3°	149.7°
HB2	CB	CG	CD1	65.9°	150.0°
HB2	CB	CG	CD2	113.8°	29.8°
CG	CD1	CE1	HD1	179.9°	179.9°
CD1	CG	CD2	CE2	1.2°	0.6°
CD1	CG	CD2	HD2	178.8°	179.9°
CG	CD1	CE1	CZ	2.0°	0.1°
CG	CD1	CE1	HE1	178.1°	180.0°
CD2	CG	CD1	CE1	0.9°	0.3°
CD2	CG	CD1	HD1	179.0°	179.7°
CG	CD2	CE2	HD2	179.9°	179.5°
CG	CD2	CE2	CZ	2.4°	0.5°
CG	CD2	CE2	HE2	177.6°	179.7°
CD1	CE1	CZ	HE1	180.0°	180.0°
CD1	CE1	CZ	CE2	0.8°	0.0°
CD1	CE1	CZ	OH	178.8°	180.0°
HD1	CD1	CE1	CZ	178.0°	180.0°
HD1	CD1	CE1	HE1	2.0°	0.0°
CD2	CE2	CZ	CE1	1.3°	0.3°
CD2	CE2	CZ	HE2	180.0°	179.7°
CD2	CE2	CZ	OH	179.0°	179.7°
HD2	CD2	CE2	CZ	177.7°	180.0°
HD2	CD2	CE2	HE2	2.3°	0.2°
CE1	CZ	CE2	OH	179.7°	180.0°
CE1	CZ	CE2	HE2	178.7°	180.0°
CE1	CZ	OH	HH	180.0°	90.0°
HE1	CE1	CZ	CE2	179.2°	180.0°
HE1	CE1	CZ	OH	1.1°	0.0°
CE2	CZ	OH	HH	0.3°	89.9°
HE2	CE2	CZ	OH	1.0°	0.0°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	3TS1