2DI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N9	C4	sing	1.37Å	1.37Å	Aromatic
N9	C8	sing	1.36Å	1.36Å	Aromatic
N9	C1'	sing	1.46Å	1.56Å
C4	N3	sing	1.34Å	1.36Å
C4	C5	doub	1.40Å	1.38Å	Aromatic
N3	C2	doub	1.30Å	1.32Å
C2	N1	sing	1.36Å	1.37Å
C2	H2	sing	1.08Å	1.08Å
N1	C6	sing	1.35Å	1.39Å
N1	HN1	sing	0.97Å	1.00Å
C6	O6	doub	1.22Å	1.25Å
C6	C5	sing	1.42Å	1.41Å
C5	N7	sing	1.35Å	1.37Å	Aromatic
N7	C8	doub	1.30Å	1.35Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
C5'	O5'	sing	1.43Å	1.46Å
C5'	C4'	sing	1.53Å	1.52Å
C5'	H5'1	sing	1.09Å	1.10Å
C5'	H5'2	sing	1.09Å	1.10Å
O5'	H5'	sing	0.97Å	0.95Å
C4'	O4'	sing	1.44Å	1.46Å
C4'	C3'	sing	1.55Å	1.52Å
C4'	H4'	sing	1.09Å	1.10Å
O4'	C1'	sing	1.44Å	1.48Å
C1'	C2'	sing	1.54Å	1.56Å
C1'	H1'	sing	1.09Å	1.10Å
C2'	C3'	sing	1.55Å	1.58Å
C2'	H2'1	sing	1.09Å	1.10Å
C2'	H2'2	sing	1.09Å	1.10Å
C3'	H3'1	sing	1.09Å	1.10Å
C3'	H3'2	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	N9	C8	112.3°	107.5°
C4	N9	C1'	126.6°	126.3°
N9	C4	N3	129.6°	134.2°
N9	C4	C5	102.5°	106.1°
C8	N9	C1'	121.1°	126.3°
N9	C8	N7	107.0°	109.8°
N9	C8	H8	126.5°	125.1°
N9	C1'	O4'	109.4°	109.9°
N9	C1'	C2'	115.8°	109.8°
N9	C1'	H1'	108.9°	109.9°
N3	C4	C5	127.9°	119.6°
C4	N3	C2	112.1°	121.2°
C4	C5	C6	119.3°	118.4°
C4	C5	N7	111.5°	107.3°
N3	C2	N1	123.7°	122.2°
N3	C2	H2	118.1°	119.0°
N1	C2	H2	118.2°	118.9°
C2	N1	C6	125.6°	120.4°
C2	N1	HN1	117.2°	119.7°
C6	N1	HN1	117.2°	119.9°
N1	C6	O6	120.0°	120.9°
N1	C6	C5	111.5°	118.2°
O6	C6	C5	128.5°	121.0°
C6	C5	N7	129.3°	134.3°
C5	N7	C8	106.7°	109.3°
N7	C8	H8	126.5°	125.1°
O5'	C5'	C4'	106.0°	109.5°
O5'	C5'	H5'1	110.3°	109.5°
O5'	C5'	H5'2	110.3°	109.5°
C5'	O5'	H5'	109.5°	114.0°
C4'	C5'	H5'1	110.3°	109.5°
C4'	C5'	H5'2	110.3°	109.5°
C5'	C4'	O4'	106.1°	110.6°
C5'	C4'	C3'	114.3°	110.6°
C5'	C4'	H4'	109.0°	110.5°
H5'1	C5'	H5'2	109.5°	109.4°
O4'	C4'	C3'	108.4°	103.5°
O4'	C4'	H4'	109.9°	110.6°
C4'	O4'	C1'	113.7°	107.0°
C3'	C4'	H4'	109.0°	110.7°
C4'	C3'	C2'	104.4°	102.1°
C4'	C3'	H3'1	110.7°	110.9°
C4'	C3'	H3'2	110.7°	110.9°
O4'	C1'	C2'	103.9°	107.3°
O4'	C1'	H1'	109.9°	109.8°
C2'	C1'	H1'	108.9°	110.0°
C1'	C2'	C3'	108.8°	104.2°
C1'	C2'	H2'1	109.6°	110.5°
C1'	C2'	H2'2	109.6°	110.5°
C3'	C2'	H2'1	109.7°	110.4°
C3'	C2'	H2'2	109.7°	110.5°
C2'	C3'	H3'1	110.7°	110.8°
C2'	C3'	H3'2	110.7°	110.9°
H2'1	C2'	H2'2	109.5°	110.5°
H3'1	C3'	H3'2	109.4°	110.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	N9	C8	C1'	178.9°	179.7°
N9	C4	N3	C5	179.5°	180.0°
N9	C4	N3	C2	179.4°	180.0°
N9	C4	C5	C6	179.2°	180.0°
N9	C4	C5	N7	0.4°	0.0°
C4	N9	C8	N7	0.0°	0.0°
C4	N9	C8	H8	180.0°	180.0°
C4	N9	C1'	O4'	150.7°	156.4°
C4	N9	C1'	C2'	33.8°	85.8°
C4	N9	C1'	H1'	89.2°	35.4°
C8	N9	C4	N3	179.9°	180.0°
C8	N9	C4	C5	0.3°	0.0°
N9	C8	N7	C5	0.3°	0.0°
N9	C8	N7	H8	180.0°	180.0°
C8	N9	C1'	O4'	28.0°	23.2°
C8	N9	C1'	C2'	144.9°	94.6°
C8	N9	C1'	H1'	92.0°	144.2°
C1'	N9	C4	N3	1.1°	0.3°
C1'	N9	C4	C5	178.5°	179.7°
C1'	N9	C8	N7	178.9°	179.7°
C1'	N9	C8	H8	1.1°	0.3°
N9	C1'	O4'	C4'	117.7°	145.9°
N9	C1'	O4'	C2'	124.2°	119.4°
N9	C1'	O4'	H1'	119.5°	121.0°
N9	C1'	C2'	H1'	123.0°	121.1°
N9	C1'	C2'	C3'	118.9°	121.5°
N9	C1'	C2'	H2'1	121.2°	119.9°
N9	C1'	C2'	H2'2	1.0°	2.8°
C4	N3	C2	N1	0.2°	0.1°
C4	N3	C2	H2	179.8°	180.0°
N3	C4	C5	C6	0.4°	0.0°
N3	C4	C5	N7	179.9°	180.0°
C5	C4	N3	C2	0.1°	0.0°
C4	C5	C6	N1	0.4°	0.1°
C4	C5	C6	O6	179.3°	180.0°
C4	C5	C6	N7	179.6°	180.0°
C4	C5	N7	C8	0.5°	0.0°
N3	C2	N1	H2	180.0°	179.9°
N3	C2	N1	C6	0.3°	0.0°
N3	C2	N1	HN1	179.8°	179.9°
C2	N1	C6	HN1	180.0°	179.9°
C2	N1	C6	O6	179.6°	180.0°
C2	N1	C6	C5	0.1°	0.0°
H2	C2	N1	C6	179.7°	180.0°
H2	C2	N1	HN1	0.2°	0.1°
N1	C6	O6	C5	179.6°	179.9°
N1	C6	C5	N7	179.9°	180.0°
HN1	N1	C6	O6	0.4°	0.1°
HN1	N1	C6	C5	179.9°	180.0°
O6	C6	C5	N7	0.3°	0.0°
C6	C5	N7	C8	179.1°	180.0°
C5	N7	C8	H8	179.7°	180.0°
O5'	C5'	C4'	H5'1	119.5°	120.0°
O5'	C5'	C4'	H5'2	119.5°	120.1°
O5'	C5'	H5'1	H5'2	121.6°	120.0°
O5'	C5'	C4'	O4'	60.9°	66.4°
O5'	C5'	C4'	C3'	179.6°	179.5°
O5'	C5'	C4'	H4'	57.4°	56.4°
C4'	C5'	H5'1	H5'2	121.6°	120.0°
C4'	C5'	O5'	H5'	180.0°	180.0°
C5'	C4'	O4'	C3'	123.2°	118.5°
C5'	C4'	O4'	H4'	117.8°	122.8°
C5'	C4'	C3'	H4'	122.3°	122.9°
C5'	C4'	O4'	C1'	113.7°	158.6°
C5'	C4'	C3'	C2'	110.1°	155.5°
C5'	C4'	C3'	H3'1	9.1°	37.4°
C5'	C4'	C3'	H3'2	130.7°	86.2°
H5'1	C5'	O5'	H5'	60.5°	60.0°
H5'1	C5'	C4'	O4'	58.6°	53.6°
H5'1	C5'	C4'	C3'	60.9°	60.5°
H5'1	C5'	C4'	H4'	176.9°	176.4°
H5'2	C5'	O5'	H5'	60.5°	59.9°
H5'2	C5'	C4'	O4'	179.6°	173.5°
H5'2	C5'	C4'	C3'	60.2°	59.4°
H5'2	C5'	C4'	H4'	62.1°	63.6°
O4'	C4'	C3'	H4'	119.6°	118.6°
C4'	O4'	C1'	C2'	6.5°	26.5°
C4'	O4'	C1'	H1'	122.9°	93.1°
O4'	C4'	C3'	C2'	8.1°	37.0°
O4'	C4'	C3'	H3'1	127.3°	81.1°
O4'	C4'	C3'	H3'2	111.1°	155.2°
C3'	C4'	O4'	C1'	9.6°	40.0°
C4'	C3'	C2'	C1'	4.3°	20.8°
C4'	C3'	C2'	H3'1	119.2°	118.1°
C4'	C3'	C2'	H3'2	119.2°	118.2°
C4'	C3'	C2'	H2'1	124.1°	97.8°
C4'	C3'	C2'	H2'2	115.6°	139.6°
C4'	C3'	H3'1	H3'2	122.3°	123.7°
H4'	C4'	O4'	C1'	128.6°	78.6°
H4'	C4'	C3'	C2'	127.7°	81.6°
H4'	C4'	C3'	H3'1	113.1°	160.3°
H4'	C4'	C3'	H3'2	8.5°	36.6°
O4'	C1'	C2'	H1'	117.1°	119.5°
O4'	C1'	C2'	C3'	1.0°	2.1°
O4'	C1'	C2'	H2'1	118.9°	120.7°
O4'	C1'	C2'	H2'2	120.9°	116.7°
C1'	C2'	C3'	H2'1	119.9°	118.7°
C1'	C2'	C3'	H2'2	119.9°	118.7°
C1'	C2'	H2'1	H2'2	120.3°	122.6°
C1'	C2'	C3'	H3'1	123.5°	97.3°
C1'	C2'	C3'	H3'2	115.0°	139.0°
H1'	C1'	C2'	C3'	118.1°	117.4°
H1'	C1'	C2'	H2'1	1.8°	1.2°
H1'	C1'	C2'	H2'2	122.0°	123.9°
C3'	C2'	H2'1	H2'2	120.3°	122.6°
C2'	C3'	H3'1	H3'2	122.3°	123.7°
H2'1	C2'	C3'	H3'1	116.7°	144.1°
H2'1	C2'	C3'	H3'2	4.9°	20.4°
H2'2	C2'	C3'	H3'1	3.6°	21.4°
H2'2	C2'	C3'	H3'2	125.2°	102.2°

Definition date:	2003-11-11
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	1V3Q