LMS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1'	N9	sing	1.46Å	1.46Å
N9	C8	sing	1.36Å	1.38Å	Aromatic
C8	N7	doub	1.30Å	1.31Å	Aromatic
N7	C5	sing	1.35Å	1.39Å	Aromatic
C5	C6	doub	1.40Å	1.41Å	Aromatic
C6	N6	sing	1.38Å	1.34Å
C6	N1	sing	1.33Å	1.35Å	Aromatic
N1	C2	doub	1.32Å	1.34Å	Aromatic
C2	N3	sing	1.32Å	1.33Å	Aromatic
N9	C4	sing	1.37Å	1.38Å	Aromatic
C5	C4	sing	1.41Å	1.39Å	Aromatic
N3	C4	doub	1.33Å	1.34Å	Aromatic
O5'	S	sing	1.52Å	1.59Å
O1P	S	doub	1.42Å	1.48Å
O2P	S	doub	1.42Å	1.48Å
N	S	sing	1.66Å	1.64Å
O3'	HA	sing	0.97Å	0.95Å
O2'	HB	sing	0.97Å	0.95Å
C8	H8	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
O5'	C5'	sing	1.43Å	1.44Å
C5'	C4'	sing	1.53Å	1.51Å
C4'	O4'	sing	1.44Å	1.46Å
C4'	C3'	sing	1.54Å	1.53Å
C3'	O3'	sing	1.43Å	1.42Å
C3'	C2'	sing	1.55Å	1.53Å
C2'	O2'	sing	1.43Å	1.41Å
O4'	C1'	sing	1.44Å	1.41Å
C2'	C1'	sing	1.55Å	1.53Å
C5'	H5'1	sing	1.09Å	1.10Å
C5'	H5'2	sing	1.09Å	1.10Å
C4'	H4'	sing	1.09Å	1.10Å
C3'	H3'	sing	1.09Å	1.10Å
C2'	H2'	sing	1.09Å	1.10Å
C1'	H1'	sing	1.09Å	1.10Å
N6	H6N1	sing	0.97Å	1.00Å
N6	H6N2	sing	0.97Å	1.00Å
N	HN1	sing	0.97Å	1.00Å
N	HN2	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1'	N9	C8	129.1°	126.3°
C1'	N9	C4	125.2°	126.3°
N9	C1'	O4'	109.7°	110.6°
N9	C1'	C2'	113.8°	110.7°
N9	C1'	H1'	105.0°	110.7°
N9	C8	N7	113.7°	110.0°
C8	N9	C4	105.7°	107.4°
N9	C8	H8	123.1°	125.0°
C8	N7	C5	104.0°	109.4°
N7	C8	H8	123.2°	125.0°
N7	C5	C6	132.4°	134.6°
N7	C5	C4	110.7°	107.2°
C5	C6	N6	124.2°	120.8°
C5	C6	N1	117.6°	118.4°
C6	C5	C4	116.9°	118.2°
N6	C6	N1	118.2°	120.7°
C6	N6	H6N1	109.5°	120.0°
C6	N6	H6N2	109.5°	120.0°
C6	N1	C2	118.6°	121.2°
N1	C2	N3	129.4°	122.5°
N1	C2	H2	115.3°	118.7°
C2	N3	C4	110.6°	120.6°
N3	C2	H2	115.3°	118.7°
N9	C4	C5	105.9°	106.0°
N9	C4	N3	127.3°	134.9°
C5	C4	N3	126.8°	119.1°
O5'	S	O1P	106.7°	106.4°
O5'	S	O2P	104.5°	106.4°
O5'	S	N	105.4°	107.2°
S	O5'	C5'	121.0°	114.0°
O1P	S	O2P	119.0°	123.1°
O1P	S	N	110.6°	106.4°
O2P	S	N	109.6°	106.4°
S	N	HN1	109.5°	120.0°
S	N	HN2	109.5°	120.0°
HA	O3'	C3'	109.5°	114.0°
HB	O2'	C2'	109.5°	114.0°
O5'	C5'	C4'	110.4°	109.5°
O5'	C5'	H5'1	109.2°	109.5°
O5'	C5'	H5'2	109.0°	109.4°
C5'	C4'	O4'	109.5°	109.8°
C5'	C4'	C3'	116.2°	109.9°
C4'	C5'	H5'1	109.2°	109.5°
C4'	C5'	H5'2	109.0°	109.5°
C5'	C4'	H4'	103.7°	109.9°
O4'	C4'	C3'	106.1°	107.3°
C4'	O4'	C1'	109.1°	106.9°
O4'	C4'	H4'	114.3°	109.9°
C4'	C3'	O3'	110.2°	110.5°
C4'	C3'	C2'	102.6°	104.2°
C3'	C4'	H4'	107.2°	110.0°
C4'	C3'	H3'	113.3°	110.5°
O3'	C3'	C2'	109.2°	110.4°
O3'	C3'	H3'	107.2°	110.4°
C3'	C2'	O2'	113.2°	111.0°
C3'	C2'	C1'	101.1°	102.1°
C2'	C3'	H3'	114.2°	110.6°
C3'	C2'	H2'	112.7°	110.9°
O2'	C2'	C1'	109.8°	110.9°
O2'	C2'	H2'	104.4°	110.8°
O4'	C1'	C2'	104.7°	103.5°
O4'	C1'	H1'	113.9°	110.6°
C1'	C2'	H2'	115.9°	110.9°
C2'	C1'	H1'	109.9°	110.6°
H5'1	C5'	H5'2	110.2°	109.4°
H6N1	N6	H6N2	109.4°	120.0°
HN1	N	HN2	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1'	N9	C8	C4	178.7°	179.7°
C1'	N9	C8	N7	177.6°	179.7°
C1'	N9	C4	C5	177.5°	179.7°
C1'	N9	C4	N3	1.5°	0.3°
C1'	N9	C8	H8	2.3°	0.3°
N9	C1'	O4'	C4'	151.5°	158.6°
N9	C1'	C2'	C3'	160.0°	155.5°
N9	C1'	C2'	O2'	80.2°	86.2°
N9	C1'	O4'	C2'	122.5°	118.5°
N9	C1'	O4'	H1'	117.4°	123.0°
N9	C1'	C2'	H1'	117.4°	123.0°
N9	C1'	C2'	H2'	37.9°	37.3°
N9	C8	N7	H8	180.0°	180.0°
N9	C8	N7	C5	0.4°	0.0°
C8	N9	C4	C5	1.2°	0.1°
C8	N9	C4	N3	179.8°	180.0°
C8	N9	C1'	O4'	54.2°	23.6°
C8	N9	C1'	C2'	62.7°	90.4°
C8	N9	C1'	H1'	177.0°	146.5°
C8	N7	C5	C6	178.8°	179.9°
N7	C8	N9	C4	1.0°	0.0°
C8	N7	C5	C4	0.5°	0.1°
N7	C5	C6	C4	179.3°	179.9°
N7	C5	C6	N6	0.9°	0.1°
N7	C5	C6	N1	179.6°	180.0°
N7	C5	C4	N9	1.1°	0.1°
N7	C5	C4	N3	179.9°	180.0°
C5	N7	C8	H8	179.7°	180.0°
C5	C6	N6	N1	179.4°	179.9°
C5	C6	N1	C2	0.8°	0.1°
C6	C5	C4	N9	178.3°	180.0°
C6	C5	C4	N3	0.7°	0.1°
C5	C6	N6	H6N1	171.4°	0.1°
C5	C6	N6	H6N2	51.4°	180.0°
N6	C6	N1	C2	178.6°	180.0°
N6	C6	C5	C4	178.4°	180.0°
C6	N6	H6N1	H6N2	120.0°	180.0°
C6	N1	C2	N3	0.1°	0.1°
N1	C6	C5	C4	1.1°	0.1°
C6	N1	C2	H2	179.9°	180.0°
N1	C6	N6	H6N1	9.2°	180.0°
N1	C6	N6	H6N2	129.2°	0.0°
N1	C2	N3	H2	180.0°	179.9°
N1	C2	N3	C4	0.3°	0.1°
C2	N3	C4	N9	178.8°	180.0°
C2	N3	C4	C5	0.0°	0.1°
N9	C4	C5	N3	179.0°	179.9°
C4	N9	C8	H8	179.0°	180.0°
C4	N9	C1'	O4'	127.4°	156.8°
C4	N9	C1'	C2'	115.7°	89.2°
C4	N9	C1'	H1'	4.5°	33.8°
C4	N3	C2	H2	179.7°	180.0°
O5'	S	O1P	O2P	117.7°	123.0°
O5'	S	O1P	N	114.1°	114.1°
O5'	S	O2P	N	112.6°	114.1°
S	O5'	C5'	C4'	171.9°	180.0°
S	O5'	C5'	H5'1	51.9°	60.0°
S	O5'	C5'	H5'2	68.5°	60.0°
O5'	S	N	HN1	79.6°	0.0°
O5'	S	N	HN2	160.4°	180.0°
O1P	S	O2P	N	128.6°	122.9°
O1P	S	O5'	C5'	52.9°	38.6°
O1P	S	N	HN1	165.5°	113.5°
O1P	S	N	HN2	45.5°	66.4°
O2P	S	O5'	C5'	179.7°	171.5°
O2P	S	N	HN1	32.4°	113.6°
O2P	S	N	HN2	87.6°	66.5°
N	S	O5'	C5'	64.7°	75.0°
S	N	HN1	HN2	120.0°	180.0°
HA	O3'	C3'	C4'	94.6°	179.9°
HA	O3'	C3'	C2'	153.4°	65.2°
HA	O3'	C3'	H3'	29.2°	57.4°
HB	O2'	C2'	C3'	158.6°	61.4°
HB	O2'	C2'	C1'	46.5°	174.1°
HB	O2'	C2'	H2'	78.5°	62.3°
O5'	C5'	C4'	H5'1	120.0°	120.1°
O5'	C5'	C4'	H5'2	119.6°	120.0°
O5'	C5'	C4'	O4'	69.4°	66.5°
O5'	C5'	C4'	C3'	50.8°	175.7°
O5'	C5'	H5'1	H5'2	119.6°	120.0°
O5'	C5'	C4'	H4'	168.2°	54.5°
C5'	C4'	O4'	C3'	126.2°	119.4°
C5'	C4'	O4'	H4'	115.8°	121.0°
C5'	C4'	C3'	H4'	115.4°	121.1°
C5'	C4'	C3'	O3'	141.2°	119.9°
C5'	C4'	C3'	C2'	102.6°	121.5°
C5'	C4'	O4'	C1'	132.1°	146.0°
C4'	C5'	H5'1	H5'2	119.6°	120.0°
C5'	C4'	C3'	H3'	21.1°	2.6°
O4'	C4'	C3'	H4'	122.5°	119.6°
O4'	C4'	C3'	O3'	96.7°	120.7°
O4'	C4'	C3'	C2'	19.5°	2.1°
C4'	O4'	C1'	C2'	29.1°	40.1°
O4'	C4'	C5'	H5'1	170.6°	53.6°
O4'	C4'	C5'	H5'2	50.2°	173.5°
O4'	C4'	C3'	H3'	143.1°	116.7°
C4'	O4'	C1'	H1'	91.1°	78.4°
C4'	C3'	O3'	C2'	112.0°	114.7°
C4'	C3'	O3'	H3'	123.7°	122.6°
C4'	C3'	C2'	H3'	123.1°	118.8°
C4'	C3'	C2'	O2'	152.7°	139.1°
C3'	C4'	O4'	C1'	5.8°	26.6°
C4'	C3'	C2'	C1'	35.4°	20.9°
C3'	C4'	C5'	H5'1	69.2°	64.3°
C3'	C4'	C5'	H5'2	170.5°	55.7°
C4'	C3'	C2'	H2'	89.0°	97.3°
O3'	C3'	C2'	H3'	120.0°	122.6°
O3'	C3'	C2'	O2'	35.9°	20.4°
O3'	C3'	C2'	C1'	81.5°	97.8°
O3'	C3'	C4'	H4'	25.8°	1.2°
O3'	C3'	C2'	H2'	154.1°	144.0°
C3'	C2'	O2'	C1'	112.1°	112.7°
C3'	C2'	O2'	H2'	122.9°	123.7°
C3'	C2'	C1'	O4'	40.2°	37.0°
C3'	C2'	C1'	H2'	122.2°	118.2°
C2'	C3'	C4'	H4'	142.0°	117.5°
C3'	C2'	C1'	H1'	82.6°	81.5°
O2'	C2'	C1'	O4'	160.0°	155.3°
O2'	C2'	C1'	H2'	118.0°	123.5°
O2'	C2'	C3'	H3'	84.2°	102.2°
O2'	C2'	C1'	H1'	37.2°	36.8°
O4'	C1'	C2'	H1'	122.8°	118.5°
C1'	O4'	C4'	H4'	112.1°	93.1°
O4'	C1'	C2'	H2'	82.0°	81.2°
C1'	C2'	C3'	H3'	158.5°	139.6°
H5'1	C5'	C4'	H4'	48.2°	174.6°
H5'2	C5'	C4'	H4'	72.2°	65.5°
H4'	C4'	C3'	H3'	94.3°	123.7°
H3'	C3'	C2'	H2'	34.1°	21.4°
H2'	C2'	C1'	H1'	155.2°	160.3°

Definition date:	2002-09-11
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI