M2T

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
SD	CG	sing	1.81Å	1.67Å
CG	HG	sing	1.09Å	1.10Å
CG	HGA	sing	1.09Å	1.10Å
CG	HGB	sing	1.09Å	1.10Å
CE	SD	sing	1.81Å	1.49Å
SD	C5'	sing	1.81Å	1.69Å
CE	HE	sing	1.09Å	1.10Å
CE	HEA	sing	1.09Å	1.10Å
CE	HEB	sing	1.09Å	1.10Å
C4'	C5'	sing	1.53Å	1.52Å
C5'	H5'	sing	1.09Å	1.10Å
C5'	H5'A	sing	1.09Å	1.10Å
O4'	C4'	sing	1.44Å	1.46Å
C4'	C3'	sing	1.55Å	1.53Å
C4'	H4'	sing	1.09Å	1.10Å
C1'	O4'	sing	1.44Å	1.42Å
N9	C1'	sing	1.46Å	1.47Å
C1'	C2'	sing	1.54Å	1.52Å
C1'	H1'	sing	1.09Å	1.10Å
C8	N9	sing	1.36Å	1.37Å	Aromatic
N9	C4	sing	1.37Å	1.38Å	Aromatic
C5	C4	sing	1.40Å	1.39Å	Aromatic
C4	N3	doub	1.33Å	1.35Å	Aromatic
N3	C2	sing	1.32Å	1.34Å	Aromatic
N1	C2	doub	1.32Å	1.35Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C6	N1	sing	1.33Å	1.36Å	Aromatic
C5	C6	doub	1.40Å	1.42Å	Aromatic
N6	C6	sing	1.38Å	1.34Å
N6	HN6	sing	0.97Å	1.00Å
N6	HN6A	sing	0.97Å	1.00Å
N7	C5	sing	1.36Å	1.39Å	Aromatic
N7	C8	doub	1.30Å	1.31Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
O2'	C2'	sing	1.43Å	1.41Å
C2'	C3'	sing	1.55Å	1.52Å
C2'	H2'	sing	1.09Å	1.10Å
O2'	HO2'	sing	0.97Å	0.95Å
O3'	C3'	sing	1.43Å	1.42Å
C3'	H3'	sing	1.09Å	1.10Å
O3'	HO3'	sing	0.97Å	0.95Å
SD	HSD	sing	1.41Å	1.30Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
SD	CG	HG	109.5°	109.5°
SD	CG	HGA	109.5°	109.5°
SD	CG	HGB	109.5°	109.5°
CG	SD	CE	108.7°	90.0°
CG	SD	C5'	109.2°	180.0°
CG	SD	HSD	110.5°	90.0°
HG	CG	HGA	109.4°	109.5°
HG	CG	HGB	109.4°	109.4°
HGA	CG	HGB	109.5°	109.5°
CE	SD	C5'	110.5°	90.0°
SD	CE	HE	109.5°	109.4°
SD	CE	HEA	109.5°	109.5°
SD	CE	HEB	109.4°	109.4°
CE	SD	HSD	109.3°	120.0°
SD	C5'	C4'	112.9°	109.5°
SD	C5'	H5'	108.3°	109.5°
SD	C5'	H5'A	107.6°	109.5°
C5'	SD	HSD	108.7°	90.0°
HE	CE	HEA	109.5°	109.5°
HE	CE	HEB	109.4°	109.5°
HEA	CE	HEB	109.5°	109.5°
C4'	C5'	H5'	108.4°	109.5°
C4'	C5'	H5'A	107.6°	109.4°
C5'	C4'	O4'	108.8°	110.4°
C5'	C4'	C3'	113.2°	110.4°
C5'	C4'	H4'	106.3°	110.4°
H5'	C5'	H5'A	112.2°	109.5°
O4'	C4'	C3'	105.7°	104.8°
O4'	C4'	H4'	113.7°	110.4°
C4'	O4'	C1'	109.6°	105.3°
C3'	C4'	H4'	109.3°	110.3°
C4'	C3'	C2'	102.5°	104.0°
C4'	C3'	O3'	109.4°	110.5°
C4'	C3'	H3'	114.2°	110.5°
O4'	C1'	N9	107.5°	110.4°
O4'	C1'	C2'	105.1°	104.8°
O4'	C1'	H1'	115.3°	110.3°
N9	C1'	C2'	114.2°	110.4°
N9	C1'	H1'	106.3°	110.5°
C1'	N9	C8	128.1°	126.3°
C1'	N9	C4	126.2°	126.3°
C2'	C1'	H1'	108.7°	110.4°
C1'	C2'	O2'	112.1°	110.5°
C1'	C2'	C3'	101.4°	104.1°
C1'	C2'	H2'	115.3°	110.5°
C8	N9	C4	105.8°	107.4°
N9	C8	N7	113.8°	110.0°
N9	C8	H8	123.1°	125.0°
N9	C4	C5	105.7°	106.0°
N9	C4	N3	127.5°	134.9°
C5	C4	N3	126.7°	119.1°
C4	C5	C6	116.8°	118.2°
C4	C5	N7	110.6°	107.1°
C4	N3	C2	111.2°	120.6°
N3	C2	N1	128.9°	122.4°
N3	C2	H2	115.5°	118.8°
N1	C2	H2	115.6°	118.7°
C2	N1	C6	118.5°	121.2°
N1	C6	C5	117.9°	118.5°
N1	C6	N6	118.5°	120.8°
C5	C6	N6	123.6°	120.8°
C6	C5	N7	132.6°	134.7°
C6	N6	HN6	109.5°	120.0°
C6	N6	HN6A	109.4°	120.0°
HN6	N6	HN6A	109.5°	120.0°
C5	N7	C8	104.1°	109.4°
N7	C8	H8	123.1°	125.0°
O2'	C2'	C3'	115.5°	110.5°
O2'	C2'	H2'	101.2°	110.5°
C2'	O2'	HO2'	109.5°	114.0°
C3'	C2'	H2'	111.9°	110.5°
C2'	C3'	O3'	110.3°	110.5°
C2'	C3'	H3'	113.4°	110.5°
O3'	C3'	H3'	107.0°	110.6°
C3'	O3'	HO3'	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
SD	CG	HG	HGA	120.0°	120.0°
SD	CG	HG	HGB	120.0°	120.0°
SD	CG	HGA	HGB	120.0°	120.0°
CG	SD	CE	C5'	119.8°	180.0°
CG	SD	CE	HSD	120.6°	90.0°
CG	SD	C5'	HSD	120.6°	126.7°
CG	SD	CE	HE	149.4°	120.0°
CG	SD	CE	HEA	90.6°	0.0°
CG	SD	CE	HEB	29.4°	120.0°
CG	SD	C5'	C4'	179.3°	66.7°
CG	SD	C5'	H5'	59.3°	53.3°
CG	SD	C5'	H5'A	62.2°	173.4°
HG	CG	HGA	HGB	119.9°	120.0°
HG	CG	SD	CE	90.8°	60.0°
HG	CG	SD	C5'	29.8°	53.3°
HG	CG	SD	HSD	149.3°	180.0°
HGA	CG	SD	CE	149.2°	180.0°
HGA	CG	SD	C5'	90.2°	66.7°
HGA	CG	SD	HSD	29.3°	60.0°
HGB	CG	SD	CE	29.2°	60.0°
HGB	CG	SD	C5'	149.8°	173.3°
HGB	CG	SD	HSD	90.7°	60.1°
CE	SD	C5'	HSD	119.9°	120.0°
SD	CE	HE	HEA	120.0°	120.0°
SD	CE	HE	HEB	120.0°	120.0°
SD	CE	HEA	HEB	120.0°	120.0°
CE	SD	C5'	C4'	61.2°	180.0°
CE	SD	C5'	H5'	178.8°	60.0°
CE	SD	C5'	H5'A	57.3°	60.1°
C5'	SD	CE	HE	90.8°	60.0°
C5'	SD	CE	HEA	29.2°	180.0°
C5'	SD	CE	HEB	149.2°	60.0°
SD	C5'	C4'	H5'	120.0°	120.0°
SD	C5'	C4'	H5'A	118.5°	120.0°
SD	C5'	H5'	H5'A	118.6°	120.0°
SD	C5'	C4'	O4'	48.9°	69.6°
SD	C5'	C4'	C3'	166.1°	175.0°
SD	C5'	C4'	H4'	73.9°	52.7°
HE	CE	HEA	HEB	120.0°	120.1°
HE	CE	SD	HSD	28.7°	150.0°
HEA	CE	SD	HSD	148.7°	90.0°
HEB	CE	SD	HSD	91.2°	30.0°
C4'	C5'	H5'	H5'A	118.6°	120.0°
C5'	C4'	O4'	C3'	121.9°	118.9°
C5'	C4'	O4'	H4'	118.2°	122.3°
C5'	C4'	C3'	H4'	118.3°	122.2°
C5'	C4'	O4'	C1'	120.5°	159.3°
C5'	C4'	C3'	C2'	94.2°	142.8°
C5'	C4'	C3'	O3'	148.8°	98.6°
C5'	C4'	C3'	H3'	29.0°	24.2°
C4'	C5'	SD	HSD	58.7°	60.0°
H5'	C5'	C4'	O4'	71.1°	50.4°
H5'	C5'	C4'	C3'	46.1°	65.0°
H5'	C5'	C4'	H4'	166.2°	172.8°
H5'	C5'	SD	HSD	61.4°	180.0°
H5'A	C5'	C4'	O4'	167.4°	170.4°
H5'A	C5'	C4'	C3'	75.3°	55.0°
H5'A	C5'	C4'	H4'	44.7°	67.2°
H5'A	C5'	SD	HSD	177.2°	60.0°
O4'	C4'	C3'	H4'	122.7°	118.9°
C4'	O4'	C1'	N9	145.0°	159.3°
C4'	O4'	C1'	C2'	22.9°	40.5°
C4'	O4'	C1'	H1'	96.7°	78.3°
O4'	C4'	C3'	C2'	24.8°	23.9°
O4'	C4'	C3'	O3'	92.2°	142.6°
O4'	C4'	C3'	H3'	148.0°	94.7°
C3'	C4'	O4'	C1'	1.3°	40.5°
C4'	C3'	C2'	C1'	37.4°	0.0°
C4'	C3'	C2'	O2'	158.7°	118.7°
C4'	C3'	C2'	O3'	116.3°	118.7°
C4'	C3'	C2'	H3'	123.7°	118.6°
C4'	C3'	C2'	H2'	86.1°	118.7°
C4'	C3'	O3'	H3'	124.2°	122.7°
C4'	C3'	O3'	HO3'	55.2°	180.0°
H4'	C4'	O4'	C1'	121.2°	78.4°
H4'	C4'	C3'	C2'	147.5°	95.0°
H4'	C4'	C3'	O3'	30.6°	23.7°
H4'	C4'	C3'	H3'	89.3°	146.4°
O4'	C1'	N9	C2'	116.2°	115.4°
O4'	C1'	N9	H1'	124.0°	122.3°
O4'	C1'	C2'	H1'	123.9°	118.8°
O4'	C1'	N9	C8	121.1°	23.3°
O4'	C1'	N9	C4	58.6°	156.4°
O4'	C1'	C2'	O2'	161.4°	142.6°
O4'	C1'	C2'	C3'	37.7°	24.0°
O4'	C1'	C2'	H2'	83.5°	94.7°
N9	C1'	C2'	H1'	118.5°	122.4°
C1'	N9	C8	C4	179.7°	179.7°
C1'	N9	C4	C5	179.6°	180.0°
C1'	N9	C4	N3	0.4°	0.0°
C1'	N9	C8	N7	179.6°	179.8°
C1'	N9	C8	H8	0.4°	0.2°
N9	C1'	C2'	O2'	81.0°	98.6°
N9	C1'	C2'	C3'	155.2°	142.8°
N9	C1'	C2'	H2'	34.1°	24.1°
C2'	C1'	N9	C8	122.8°	92.1°
C2'	C1'	N9	C4	57.6°	88.2°
C1'	C2'	O2'	C3'	115.4°	114.7°
C1'	C2'	O2'	H2'	123.5°	122.7°
C1'	C2'	C3'	H2'	123.5°	118.7°
C1'	C2'	O2'	HO2'	158.1°	180.0°
C1'	C2'	C3'	O3'	79.0°	118.6°
C1'	C2'	C3'	H3'	161.0°	118.6°
H1'	C1'	N9	C8	2.9°	145.5°
H1'	C1'	N9	C4	177.4°	34.2°
H1'	C1'	C2'	O2'	37.5°	23.8°
H1'	C1'	C2'	C3'	86.2°	94.8°
H1'	C1'	C2'	H2'	152.6°	146.5°
C8	N9	C4	C5	0.1°	0.3°
C8	N9	C4	N3	179.9°	179.7°
N9	C8	N7	C5	0.0°	0.5°
N9	C8	N7	H8	180.0°	179.6°
N9	C4	C5	N3	180.0°	180.0°
N9	C4	N3	C2	179.9°	180.0°
N9	C4	C5	C6	179.8°	180.0°
N9	C4	C5	N7	0.1°	0.0°
C4	N9	C8	N7	0.1°	0.5°
C4	N9	C8	H8	179.9°	180.0°
C5	C4	N3	C2	0.1°	0.0°
C4	C5	C6	N1	0.1°	0.1°
C4	C5	C6	N7	179.9°	180.0°
C4	C5	C6	N6	179.7°	180.0°
C4	C5	N7	C8	0.1°	0.3°
C4	N3	C2	N1	0.1°	0.0°
C4	N3	C2	H2	179.9°	180.0°
N3	C4	C5	C6	0.2°	0.0°
N3	C4	C5	N7	179.9°	180.0°
N3	C2	N1	H2	180.0°	180.0°
N3	C2	N1	C6	0.1°	0.1°
C2	N1	C6	C5	0.0°	0.1°
C2	N1	C6	N6	179.9°	180.0°
H2	C2	N1	C6	179.9°	180.0°
N1	C6	C5	N6	179.9°	179.9°
N1	C6	N6	HN6	0.1°	0.1°
N1	C6	N6	HN6A	119.9°	180.0°
N1	C6	C5	N7	180.0°	180.0°
C5	C6	N6	HN6	179.8°	180.0°
C5	C6	N6	HN6A	60.2°	0.1°
C6	C5	N7	C8	179.8°	179.7°
C6	N6	HN6	HN6A	120.0°	180.0°
N6	C6	C5	N7	0.2°	0.1°
C5	N7	C8	H8	180.0°	180.0°
O2'	C2'	C3'	H2'	115.1°	122.7°
O2'	C2'	C3'	O3'	42.4°	0.0°
O2'	C2'	C3'	H3'	77.6°	122.7°
C3'	C2'	O2'	HO2'	86.5°	65.4°
C2'	C3'	O3'	H3'	123.8°	122.7°
C2'	C3'	O3'	HO3'	56.8°	65.4°
H2'	C2'	O2'	HO2'	34.6°	57.3°
H2'	C2'	C3'	O3'	157.5°	122.7°
H2'	C2'	C3'	H3'	37.5°	0.1°
H3'	C3'	O3'	HO3'	179.4°	57.3°

Definition date:	2009-04-15
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3H0V