THU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.34Å	1.35Å
N1	C6	sing	1.46Å	1.40Å
N1	C1'	sing	1.47Å	1.64Å
C2	O2	doub	1.22Å	1.23Å
C2	N3	sing	1.34Å	1.35Å
N3	C4	sing	1.35Å	1.46Å
N3	HN3	sing	0.97Å	1.00Å
C4	O4	doub	1.21Å	1.42Å
C4	C5	sing	1.51Å	1.55Å
C5	C6	sing	1.53Å	1.54Å
C5	H51	sing	1.09Å	1.10Å
C5	H52	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C1'	C2'	sing	1.55Å	1.50Å
C1'	O4'	sing	1.44Å	1.42Å
C1'	H1'	sing	1.09Å	1.10Å
C2'	C3'	sing	1.55Å	1.48Å
C2'	H2'1	sing	1.09Å	1.10Å
C2'	H2'2	sing	1.09Å	1.10Å
C3'	O3'	sing	1.43Å	1.40Å
C3'	C4'	sing	1.54Å	1.53Å
C3'	H3'	sing	1.09Å	1.10Å
O3'	HO3'	sing	0.97Å	0.95Å
C4'	O4'	sing	1.43Å	1.42Å
C4'	C5'	sing	1.53Å	1.50Å
C4'	H4'	sing	1.09Å	1.10Å
C5'	O5'	sing	1.43Å	1.43Å
C5'	H5'1	sing	1.09Å	1.10Å
C5'	H5'2	sing	1.09Å	1.10Å
O5'	HO5'	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C6	123.0°	121.0°
C2	N1	C1'	114.3°	119.5°
N1	C2	O2	120.9°	119.2°
N1	C2	N3	118.7°	121.6°
C6	N1	C1'	105.3°	119.5°
N1	C6	C5	109.5°	109.5°
N1	C6	H61	109.5°	109.4°
N1	C6	H62	109.5°	109.5°
N1	C1'	C2'	144.3°	110.3°
N1	C1'	O4'	98.2°	110.3°
N1	C1'	H1'	96.3°	110.3°
O2	C2	N3	120.3°	119.3°
C2	N3	C4	122.5°	120.9°
C2	N3	HN3	118.8°	119.5°
C4	N3	HN3	118.8°	119.6°
N3	C4	O4	113.7°	120.0°
N3	C4	C5	115.5°	120.0°
O4	C4	C5	106.7°	120.0°
C4	C5	C6	109.5°	109.2°
C4	C5	H51	109.5°	109.5°
C4	C5	H52	109.4°	109.5°
C6	C5	H51	109.5°	109.5°
C6	C5	H52	109.5°	109.6°
C5	C6	H61	109.5°	109.5°
C5	C6	H62	109.5°	109.5°
H51	C5	H52	109.5°	109.6°
H61	C6	H62	109.5°	109.5°
C2'	C1'	O4'	117.5°	105.1°
C2'	C1'	H1'	48.1°	110.3°
C1'	C2'	C3'	99.8°	100.9°
C1'	C2'	H2'1	112.8°	111.1°
C1'	C2'	H2'2	114.8°	111.1°
O4'	C1'	H1'	165.5°	110.3°
C1'	O4'	C4'	103.5°	110.0°
C3'	C2'	H2'1	112.8°	111.1°
C3'	C2'	H2'2	114.8°	111.1°
C2'	C3'	O3'	111.9°	110.8°
C2'	C3'	C4'	108.7°	102.2°
C2'	C3'	H3'	108.7°	110.8°
H2'1	C2'	H2'2	102.3°	111.0°
O3'	C3'	C4'	110.3°	110.8°
O3'	C3'	H3'	106.9°	111.0°
C3'	O3'	HO3'	109.5°	106.8°
C4'	C3'	H3'	110.3°	110.9°
C3'	C4'	O4'	109.4°	107.6°
C3'	C4'	C5'	114.0°	109.8°
C3'	C4'	H4'	107.5°	109.9°
O4'	C4'	C5'	112.4°	109.9°
O4'	C4'	H4'	109.2°	109.8°
C5'	C4'	H4'	104.0°	109.8°
C4'	C5'	O5'	106.6°	109.5°
C4'	C5'	H5'1	110.4°	109.5°
C4'	C5'	H5'2	111.1°	109.5°
O5'	C5'	H5'1	110.4°	109.4°
O5'	C5'	H5'2	111.1°	109.5°
C5'	O5'	HO5'	109.5°	106.8°
H5'1	C5'	H5'2	107.3°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	N1	C6	C1'	133.3°	179.7°
N1	C2	O2	N3	179.5°	179.5°
N1	C2	N3	C4	0.3°	12.6°
N1	C2	N3	HN3	179.7°	167.7°
C2	N1	C6	C5	49.2°	35.6°
C2	N1	C6	H61	169.2°	84.4°
C2	N1	C6	H62	70.8°	155.6°
C2	N1	C1'	C2'	47.9°	63.1°
C2	N1	C1'	O4'	132.5°	178.8°
C2	N1	C1'	H1'	46.9°	59.0°
C6	N1	C2	O2	157.1°	174.3°
C6	N1	C2	N3	23.4°	5.1°
N1	C6	C5	C4	49.8°	46.7°
N1	C6	C5	H61	120.0°	120.0°
N1	C6	C5	H62	120.0°	120.0°
N1	C6	C5	H51	169.8°	166.6°
N1	C6	C5	H52	70.2°	73.2°
N1	C6	H61	H62	120.0°	120.0°
C6	N1	C1'	C2'	90.0°	117.2°
C6	N1	C1'	O4'	89.6°	1.5°
C6	N1	C1'	H1'	91.1°	120.7°
C1'	N1	C2	O2	27.5°	6.0°
C1'	N1	C2	N3	153.1°	174.6°
C1'	N1	C6	C5	177.6°	144.1°
C1'	N1	C6	H61	57.6°	95.9°
C1'	N1	C6	H62	62.5°	24.1°
N1	C1'	C2'	O4'	179.5°	118.9°
N1	C1'	C2'	H1'	1.4°	122.1°
N1	C1'	O4'	H1'	177.5°	122.2°
N1	C1'	C2'	C3'	179.8°	155.4°
N1	C1'	C2'	H2'1	60.2°	37.5°
N1	C1'	C2'	H2'2	56.5°	86.7°
N1	C1'	O4'	C4'	173.1°	143.4°
O2	C2	N3	C4	179.8°	167.9°
O2	C2	N3	HN3	0.2°	11.7°
C2	N3	C4	HN3	180.0°	179.7°
C2	N3	C4	O4	116.6°	175.8°
C2	N3	C4	C5	7.3°	4.1°
N3	C4	O4	C5	128.5°	179.9°
N3	C4	C5	C6	31.8°	34.2°
N3	C4	C5	H51	151.8°	154.1°
N3	C4	C5	H52	88.2°	85.8°
HN3	N3	C4	O4	63.4°	4.5°
HN3	N3	C4	C5	172.7°	175.6°
O4	C4	C5	C6	95.7°	145.7°
O4	C4	C5	H51	24.3°	25.8°
O4	C4	C5	H52	144.3°	94.3°
C4	C5	C6	H51	120.0°	119.9°
C4	C5	C6	H52	120.0°	119.9°
C4	C5	H51	H52	120.0°	120.1°
C4	C5	C6	H61	169.8°	73.3°
C4	C5	C6	H62	70.2°	166.7°
C6	C5	H51	H52	120.0°	120.2°
C5	C6	H61	H62	120.0°	120.0°
H51	C5	C6	H61	70.2°	46.6°
H51	C5	C6	H62	49.8°	73.4°
H52	C5	C6	H61	49.8°	166.8°
H52	C5	C6	H62	169.8°	46.8°
C2'	C1'	O4'	H1'	2.7°	118.9°
C1'	C2'	C3'	H2'1	120.0°	117.9°
C1'	C2'	C3'	H2'2	123.3°	117.9°
C1'	C2'	H2'1	H2'2	123.9°	124.2°
C1'	C2'	C3'	O3'	115.5°	84.1°
C1'	C2'	C3'	C4'	6.6°	34.1°
C1'	C2'	C3'	H3'	126.7°	152.3°
C2'	C1'	O4'	C4'	6.6°	24.5°
O4'	C1'	C2'	C3'	0.2°	36.5°
O4'	C1'	C2'	H2'1	120.2°	81.5°
O4'	C1'	C2'	H2'2	123.1°	154.4°
C1'	O4'	C4'	C3'	10.4°	1.8°
C1'	O4'	C4'	C5'	117.3°	117.8°
C1'	O4'	C4'	H4'	127.8°	121.3°
H1'	C1'	C2'	C3'	178.8°	82.5°
H1'	C1'	C2'	H2'1	58.8°	159.6°
H1'	C1'	C2'	H2'2	57.8°	35.4°
H1'	C1'	O4'	C4'	9.3°	94.5°
C3'	C2'	H2'1	H2'2	123.9°	124.2°
C2'	C3'	O3'	C4'	121.2°	112.8°
C2'	C3'	O3'	H3'	118.9°	123.5°
C2'	C3'	C4'	H3'	119.0°	118.2°
C2'	C3'	O3'	HO3'	125.0°	61.5°
C2'	C3'	C4'	O4'	11.4°	21.3°
C2'	C3'	C4'	C5'	115.5°	140.9°
C2'	C3'	C4'	H4'	129.8°	98.2°
H2'1	C2'	C3'	O3'	4.5°	158.0°
H2'1	C2'	C3'	C4'	126.7°	83.8°
H2'1	C2'	C3'	H3'	113.3°	34.4°
H2'2	C2'	C3'	O3'	121.2°	33.8°
H2'2	C2'	C3'	C4'	116.7°	152.0°
H2'2	C2'	C3'	H3'	3.4°	89.8°
O3'	C3'	C4'	H3'	117.9°	123.7°
O3'	C3'	C4'	O4'	111.7°	96.8°
O3'	C3'	C4'	C5'	121.5°	22.8°
O3'	C3'	C4'	H4'	6.7°	143.7°
C4'	C3'	O3'	HO3'	113.9°	174.3°
C3'	C4'	O4'	C5'	127.7°	119.5°
C3'	C4'	O4'	H4'	117.3°	119.6°
C3'	C4'	C5'	H4'	116.8°	120.9°
C3'	C4'	C5'	O5'	57.7°	175.4°
C3'	C4'	C5'	H5'1	177.7°	64.7°
C3'	C4'	C5'	H5'2	63.4°	55.4°
H3'	C3'	O3'	HO3'	6.1°	62.1°
H3'	C3'	C4'	O4'	130.4°	139.5°
H3'	C3'	C4'	C5'	3.6°	101.0°
H3'	C3'	C4'	H4'	111.2°	20.0°
O4'	C4'	C5'	H4'	118.0°	120.9°
O4'	C4'	C5'	O5'	67.6°	66.4°
O4'	C4'	C5'	H5'1	52.4°	53.5°
O4'	C4'	C5'	H5'2	171.3°	173.6°
C4'	C5'	O5'	H5'1	120.0°	120.0°
C4'	C5'	O5'	H5'2	121.1°	120.0°
C4'	C5'	H5'1	H5'2	121.2°	120.0°
C4'	C5'	O5'	HO5'	105.6°	180.0°
H4'	C4'	C5'	O5'	174.4°	54.4°
H4'	C4'	C5'	H5'1	65.6°	174.4°
H4'	C4'	C5'	H5'2	53.3°	65.6°
O5'	C5'	H5'1	H5'2	121.2°	120.0°
H5'1	C5'	O5'	HO5'	14.4°	60.0°
H5'2	C5'	O5'	HO5'	133.3°	60.0°

Definition date:	2001-08-24
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	1UX0