THM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O5'	C5'	sing	1.43Å	1.42Å
O5'	HO5'	sing	0.97Å	0.95Å
C5'	C4'	sing	1.53Å	1.50Å
C5'	H5'1	sing	1.09Å	1.12Å
C5'	H5'2	sing	1.09Å	1.11Å
C4'	O4'	sing	1.45Å	1.43Å
C4'	C3'	sing	1.55Å	1.44Å
C4'	H4'	sing	1.09Å	1.11Å
O4'	C1'	sing	1.44Å	1.40Å
C3'	O3'	sing	1.43Å	1.39Å
C3'	C2'	sing	1.55Å	1.45Å
C3'	H3'	sing	1.09Å	1.12Å
O3'	HO3'	sing	0.97Å	0.95Å
C2'	C1'	sing	1.54Å	1.49Å
C2'	H2'1	sing	1.09Å	1.12Å
C2'	H2'2	sing	1.09Å	1.11Å
C1'	N1	sing	1.46Å	1.51Å
C1'	H1'	sing	1.09Å	1.11Å
N1	C2	sing	1.34Å	1.37Å
N1	C6	sing	1.37Å	1.41Å
C2	O2	doub	1.22Å	1.22Å
C2	N3	sing	1.35Å	1.34Å
N3	C4	sing	1.35Å	1.40Å
N3	HN3	sing	0.97Å	1.02Å
C4	O4	doub	1.22Å	1.25Å
C4	C5	sing	1.41Å	1.46Å
C5	C5M	sing	1.51Å	1.58Å
C5	C6	doub	1.35Å	1.32Å
C5M	HM51	sing	1.09Å	1.12Å
C5M	HM52	sing	1.09Å	1.12Å
C5M	HM53	sing	1.09Å	1.12Å
C6	H6	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5'	O5'	HO5'	113.8°	106.8°
O5'	C5'	C4'	113.8°	109.5°
O5'	C5'	H5'1	110.6°	109.5°
O5'	C5'	H5'2	110.6°	109.5°
C4'	C5'	H5'1	110.6°	109.4°
C4'	C5'	H5'2	110.7°	109.4°
C5'	C4'	O4'	111.7°	110.8°
C5'	C4'	C3'	119.2°	110.7°
C5'	C4'	H4'	98.9°	110.5°
H5'1	C5'	H5'2	99.6°	109.5°
O4'	C4'	C3'	103.2°	103.6°
O4'	C4'	H4'	116.2°	110.5°
C4'	O4'	C1'	112.5°	106.9°
C3'	C4'	H4'	108.2°	110.6°
C4'	C3'	O3'	106.9°	110.9°
C4'	C3'	C2'	100.6°	102.1°
C4'	C3'	H3'	113.9°	110.9°
O4'	C1'	C2'	99.7°	107.4°
O4'	C1'	N1	105.3°	109.9°
O4'	C1'	H1'	120.4°	109.9°
O3'	C3'	C2'	100.8°	110.9°
O3'	C3'	H3'	113.8°	110.8°
C3'	O3'	HO3'	106.9°	106.8°
C2'	C3'	H3'	119.0°	110.9°
C3'	C2'	C1'	104.7°	104.2°
C3'	C2'	H2'1	114.0°	110.4°
C3'	C2'	H2'2	114.0°	110.5°
C1'	C2'	H2'1	114.0°	110.5°
C1'	C2'	H2'2	114.0°	110.5°
C2'	C1'	N1	115.9°	109.9°
C2'	C1'	H1'	110.6°	109.9°
H2'1	C2'	H2'2	96.4°	110.5°
N1	C1'	H1'	105.4°	109.8°
C1'	N1	C2	114.4°	119.7°
C1'	N1	C6	123.3°	119.7°
C2	N1	C6	122.4°	120.6°
N1	C2	O2	122.1°	119.5°
N1	C2	N3	116.7°	120.9°
N1	C6	C5	121.4°	119.7°
N1	C6	H6	122.4°	120.2°
O2	C2	N3	121.1°	119.5°
C2	N3	C4	124.4°	120.3°
C2	N3	HN3	115.3°	119.9°
C4	N3	HN3	120.3°	119.9°
N3	C4	O4	119.9°	120.3°
N3	C4	C5	117.0°	119.4°
O4	C4	C5	123.1°	120.3°
C4	C5	C5M	119.0°	120.5°
C4	C5	C6	118.1°	119.1°
C5M	C5	C6	122.9°	120.4°
C5	C5M	HM51	119.0°	109.5°
C5	C5M	HM52	108.8°	109.4°
C5	C5M	HM53	108.8°	109.5°
C5	C6	H6	116.2°	120.2°
HM51	C5M	HM52	108.7°	109.4°
HM51	C5M	HM53	108.7°	109.6°
HM52	C5M	HM53	101.3°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O5'	C5'	C4'	H5'1	125.3°	120.0°
O5'	C5'	C4'	H5'2	125.3°	120.0°
O5'	C5'	H5'1	H5'2	116.4°	120.0°
O5'	C5'	C4'	O4'	70.4°	65.7°
O5'	C5'	C4'	C3'	49.9°	180.0°
O5'	C5'	C4'	H4'	166.6°	57.1°
HO5'	O5'	C5'	C4'	179.9°	180.0°
HO5'	O5'	C5'	H5'1	54.7°	60.0°
HO5'	O5'	C5'	H5'2	54.8°	60.1°
C4'	C5'	H5'1	H5'2	116.5°	119.9°
C5'	C4'	O4'	C3'	129.2°	118.7°
C5'	C4'	O4'	H4'	112.5°	122.8°
C5'	C4'	C3'	H4'	111.8°	122.9°
C5'	C4'	O4'	C1'	113.1°	158.5°
C5'	C4'	C3'	O3'	166.8°	86.1°
C5'	C4'	C3'	C2'	88.3°	155.7°
C5'	C4'	C3'	H3'	40.2°	37.5°
H5'1	C5'	C4'	O4'	164.3°	174.3°
H5'1	C5'	C4'	C3'	75.4°	60.0°
H5'1	C5'	C4'	H4'	41.4°	62.9°
H5'2	C5'	C4'	O4'	54.9°	54.3°
H5'2	C5'	C4'	C3'	175.1°	60.0°
H5'2	C5'	C4'	H4'	68.1°	177.1°
O4'	C4'	C3'	H4'	123.7°	118.4°
O4'	C4'	C3'	O3'	68.7°	155.2°
O4'	C4'	C3'	C2'	36.2°	36.9°
O4'	C4'	C3'	H3'	164.7°	81.3°
C4'	O4'	C1'	C2'	10.9°	26.3°
C4'	O4'	C1'	N1	131.3°	145.8°
C4'	O4'	C1'	H1'	110.0°	93.2°
C3'	C4'	O4'	C1'	16.1°	39.8°
C4'	C3'	O3'	C2'	104.7°	112.8°
C4'	C3'	O3'	H3'	126.7°	123.6°
C4'	C3'	C2'	H3'	125.2°	118.2°
C4'	C3'	O3'	HO3'	180.0°	174.2°
C4'	C3'	C2'	C1'	44.5°	20.9°
C4'	C3'	C2'	H2'1	80.8°	97.8°
C4'	C3'	C2'	H2'2	169.8°	139.6°
H4'	C4'	O4'	C1'	134.4°	78.6°
H4'	C4'	C3'	O3'	55.0°	36.8°
H4'	C4'	C3'	C2'	159.9°	81.5°
H4'	C4'	C3'	H3'	71.6°	160.3°
O4'	C1'	C2'	C3'	34.0°	2.0°
O4'	C1'	C2'	N1	112.4°	119.5°
O4'	C1'	C2'	H1'	127.7°	119.5°
O4'	C1'	C2'	H2'1	91.3°	120.6°
O4'	C1'	C2'	H2'2	159.3°	116.8°
O4'	C1'	N1	H1'	128.3°	121.0°
O4'	C1'	N1	C2	121.5°	58.4°
O4'	C1'	N1	C6	59.0°	121.8°
O3'	C3'	C2'	H3'	125.1°	123.6°
O3'	C3'	C2'	C1'	65.2°	139.1°
O3'	C3'	C2'	H2'1	169.5°	20.5°
O3'	C3'	C2'	H2'2	60.1°	102.2°
C2'	C3'	O3'	HO3'	75.3°	61.4°
C3'	C2'	C1'	H2'1	125.2°	118.6°
C3'	C2'	C1'	H2'2	125.3°	118.7°
C3'	C2'	H2'1	H2'2	119.9°	122.6°
C3'	C2'	C1'	N1	146.4°	121.5°
C3'	C2'	C1'	H1'	93.7°	117.5°
H3'	C3'	O3'	HO3'	53.3°	62.2°
H3'	C3'	C2'	C1'	169.7°	97.3°
H3'	C3'	C2'	H2'1	44.4°	144.0°
H3'	C3'	C2'	H2'2	65.1°	21.4°
C1'	C2'	H2'1	H2'2	119.9°	122.7°
C2'	C1'	N1	H1'	122.6°	121.0°
C2'	C1'	N1	C2	129.4°	59.6°
C2'	C1'	N1	C6	50.1°	120.2°
H2'1	C2'	C1'	N1	21.1°	119.9°
H2'1	C2'	C1'	H1'	141.0°	1.1°
H2'2	C2'	C1'	N1	88.3°	2.8°
H2'2	C2'	C1'	H1'	31.5°	123.7°
C1'	N1	C2	C6	179.6°	179.9°
C1'	N1	C2	O2	2.2°	0.1°
C1'	N1	C2	N3	179.6°	180.0°
C1'	N1	C6	C5	179.9°	180.0°
C1'	N1	C6	H6	0.1°	0.1°
H1'	C1'	N1	C2	6.8°	179.4°
H1'	C1'	N1	C6	172.8°	0.8°
N1	C2	O2	N3	177.2°	180.0°
N1	C2	N3	C4	0.2°	0.3°
N1	C2	N3	HN3	179.8°	179.9°
C2	N1	C6	C5	0.3°	0.1°
C2	N1	C6	H6	179.7°	180.0°
C6	N1	C2	O2	177.3°	179.9°
C6	N1	C2	N3	0.0°	0.1°
N1	C6	C5	C4	0.7°	0.3°
N1	C6	C5	C5M	178.9°	180.0°
N1	C6	C5	H6	180.0°	179.9°
O2	C2	N3	C4	177.2°	179.7°
O2	C2	N3	HN3	2.8°	0.0°
C2	N3	C4	HN3	180.0°	179.8°
C2	N3	C4	O4	179.3°	180.0°
C2	N3	C4	C5	0.6°	0.5°
N3	C4	O4	C5	179.9°	179.5°
N3	C4	C5	C5M	178.8°	179.8°
N3	C4	C5	C6	0.8°	0.5°
HN3	N3	C4	O4	0.6°	0.2°
HN3	N3	C4	C5	179.4°	179.7°
O4	C4	C5	C5M	1.2°	0.3°
O4	C4	C5	C6	179.1°	180.0°
C4	C5	C5M	C6	179.6°	179.7°
C4	C5	C5M	HM51	180.0°	0.2°
C4	C5	C5M	HM52	54.8°	119.7°
C4	C5	C5M	HM53	54.7°	120.4°
C4	C5	C6	H6	179.3°	179.8°
C5	C5M	HM51	HM52	125.3°	119.9°
C5	C5M	HM51	HM53	125.3°	120.1°
C5	C5M	HM52	HM53	114.6°	120.0°
C5M	C5	C6	H6	1.1°	0.1°
C6	C5	C5M	HM51	0.3°	179.9°
C6	C5	C5M	HM52	125.6°	60.0°
C6	C5	C5M	HM53	124.9°	59.9°
HM51	C5M	HM52	HM53	114.4°	120.1°

Definition date:	1999-07-08
Last modified:	2020-06-17
Release status:	REL
Processing site:	EBI
Derived from:	1KIM