9DI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	C4	sing	1.41Å	1.39Å	Aromatic
C9	C8	doub	1.35Å	1.37Å	Aromatic
C9	C1'	sing	1.51Å	1.54Å
C4	N3	sing	1.35Å	1.37Å
C4	C5	doub	1.40Å	1.39Å	Aromatic
N3	C2	doub	1.30Å	1.35Å
C2	N1	sing	1.36Å	1.37Å
C2	H2	sing	1.08Å	1.10Å
N1	C6	sing	1.35Å	1.39Å
N1	HN1	sing	0.97Å	1.02Å
C6	O6	doub	1.22Å	1.23Å
C6	C5	sing	1.41Å	1.44Å
C5	N7	sing	1.38Å	1.38Å	Aromatic
N7	C8	sing	1.36Å	1.37Å	Aromatic
N7	HN7	sing	0.97Å	1.02Å
C8	H8	sing	1.08Å	1.10Å
C5'	O5'	sing	1.43Å	1.45Å
C5'	C4'	sing	1.53Å	1.51Å
C5'	H5'1	sing	1.09Å	1.12Å
C5'	H5'2	sing	1.09Å	1.12Å
O5'	HO5'	sing	0.97Å	0.95Å
C4'	O4'	sing	1.44Å	1.45Å
C4'	C3'	sing	1.55Å	1.53Å
C4'	H4'	sing	1.09Å	1.11Å
O4'	C1'	sing	1.44Å	1.42Å
C1'	C2'	sing	1.54Å	1.55Å
C1'	H1'	sing	1.09Å	1.12Å
C2'	O2'	sing	1.43Å	1.44Å
C2'	C3'	sing	1.55Å	1.56Å
C2'	H2'	sing	1.09Å	1.11Å
O2'	HO2'	sing	0.97Å	0.95Å
C3'	O3'	sing	1.43Å	1.45Å
C3'	H3'	sing	1.09Å	1.12Å
O3'	HO3'	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	C9	C8	112.1°	107.8°
C4	C9	C1'	126.7°	126.1°
C9	C4	N3	130.4°	133.9°
C9	C4	C5	102.6°	106.7°
C8	C9	C1'	121.1°	126.1°
C9	C8	N7	106.7°	109.4°
C9	C8	H8	126.8°	125.3°
C9	C1'	O4'	105.2°	109.9°
C9	C1'	C2'	116.4°	110.0°
C9	C1'	H1'	106.5°	109.9°
N3	C4	C5	127.0°	119.4°
C4	N3	C2	112.3°	121.0°
C4	C5	C6	119.1°	118.5°
C4	C5	N7	111.3°	107.3°
N3	C2	N1	124.4°	122.1°
N3	C2	H2	117.1°	118.9°
N1	C2	H2	118.5°	119.0°
C2	N1	C6	124.4°	120.5°
C2	N1	HN1	117.2°	119.8°
C6	N1	HN1	118.4°	119.7°
N1	C6	O6	119.8°	120.8°
N1	C6	C5	112.7°	118.4°
O6	C6	C5	127.5°	120.8°
C6	C5	N7	129.5°	134.2°
C5	N7	C8	107.2°	108.8°
C5	N7	HN7	126.8°	125.6°
C8	N7	HN7	126.0°	125.6°
N7	C8	H8	126.5°	125.3°
O5'	C5'	C4'	109.2°	109.4°
O5'	C5'	H5'1	112.3°	109.4°
O5'	C5'	H5'2	112.3°	109.4°
C5'	O5'	HO5'	109.2°	106.8°
C4'	C5'	H5'1	112.3°	109.5°
C4'	C5'	H5'2	112.3°	109.5°
C5'	C4'	O4'	104.4°	110.7°
C5'	C4'	C3'	114.4°	110.6°
C5'	C4'	H4'	109.1°	110.5°
H5'1	C5'	H5'2	98.2°	109.6°
O4'	C4'	C3'	107.4°	103.6°
O4'	C4'	H4'	115.8°	110.7°
C4'	O4'	C1'	114.0°	107.0°
C3'	C4'	H4'	106.1°	110.7°
C4'	C3'	C2'	102.9°	102.0°
C4'	C3'	O3'	110.5°	111.1°
C4'	C3'	H3'	115.4°	110.8°
O4'	C1'	C2'	104.8°	107.3°
O4'	C1'	H1'	117.7°	109.9°
C2'	C1'	H1'	106.8°	109.9°
C1'	C2'	O2'	112.4°	110.5°
C1'	C2'	C3'	108.0°	104.3°
C1'	C2'	H2'	110.3°	110.5°
O2'	C2'	C3'	114.0°	110.4°
O2'	C2'	H2'	103.6°	110.5°
C2'	O2'	HO2'	112.4°	106.8°
C3'	C2'	H2'	108.4°	110.6°
C2'	C3'	O3'	115.6°	110.9°
C2'	C3'	H3'	110.3°	110.9°
O3'	C3'	H3'	102.6°	110.8°
C3'	O3'	HO3'	110.5°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	C9	C8	C1'	177.5°	179.9°
C9	C4	N3	C5	179.9°	179.1°
C9	C4	N3	C2	180.0°	179.7°
C9	C4	C5	C6	179.6°	179.9°
C9	C4	C5	N7	0.2°	0.4°
C4	C9	C8	N7	0.5°	0.2°
C4	C9	C8	H8	179.5°	179.8°
C4	C9	C1'	O4'	131.2°	151.7°
C4	C9	C1'	C2'	15.7°	90.4°
C4	C9	C1'	H1'	103.1°	30.7°
C8	C9	C4	N3	179.7°	179.5°
C8	C9	C4	C5	0.4°	0.3°
C9	C8	N7	C5	0.3°	0.0°
C9	C8	N7	H8	180.0°	180.0°
C9	C8	N7	HN7	179.7°	179.9°
C8	C9	C1'	O4'	45.9°	28.4°
C8	C9	C1'	C2'	161.3°	89.4°
C8	C9	C1'	H1'	79.8°	149.5°
C1'	C9	C4	N3	3.0°	0.6°
C1'	C9	C4	C5	176.8°	179.8°
C1'	C9	C8	N7	177.0°	180.0°
C1'	C9	C8	H8	3.1°	0.1°
C9	C1'	O4'	C4'	118.7°	146.1°
C9	C1'	O4'	C2'	123.2°	119.5°
C9	C1'	O4'	H1'	118.3°	121.0°
C9	C1'	C2'	H1'	118.7°	121.1°
C9	C1'	C2'	O2'	111.0°	119.7°
C9	C1'	C2'	C3'	122.3°	121.7°
C9	C1'	C2'	H2'	4.0°	2.8°
C4	N3	C2	N1	0.2°	0.3°
C4	N3	C2	H2	179.8°	179.7°
N3	C4	C5	C6	0.2°	0.5°
N3	C4	C5	N7	179.9°	179.7°
C5	C4	N3	C2	0.2°	0.6°
C4	C5	C6	N1	0.6°	0.2°
C4	C5	C6	O6	178.8°	179.7°
C4	C5	C6	N7	179.9°	179.7°
C4	C5	N7	C8	0.0°	0.2°
C4	C5	N7	HN7	180.0°	179.7°
N3	C2	N1	H2	180.0°	180.0°
N3	C2	N1	C6	0.3°	0.0°
N3	C2	N1	HN1	179.7°	179.9°
C2	N1	C6	HN1	180.0°	179.9°
C2	N1	C6	O6	178.8°	180.0°
C2	N1	C6	C5	0.7°	0.1°
H2	C2	N1	C6	179.7°	180.0°
H2	C2	N1	HN1	0.3°	0.0°
N1	C6	O6	C5	179.4°	179.9°
N1	C6	C5	N7	179.5°	179.9°
HN1	N1	C6	O6	1.2°	0.1°
HN1	N1	C6	C5	179.3°	180.0°
O6	C6	C5	N7	1.0°	0.1°
C6	C5	N7	C8	179.9°	180.0°
C6	C5	N7	HN7	0.1°	0.1°
C5	N7	C8	HN7	180.0°	179.9°
C5	N7	C8	H8	179.7°	180.0°
HN7	N7	C8	H8	0.3°	0.1°
O5'	C5'	C4'	H5'1	125.3°	119.9°
O5'	C5'	C4'	H5'2	125.3°	120.0°
O5'	C5'	H5'1	H5'2	118.3°	120.0°
O5'	C5'	C4'	O4'	50.0°	63.6°
O5'	C5'	C4'	C3'	167.0°	177.8°
O5'	C5'	C4'	H4'	74.4°	59.3°
C4'	C5'	H5'1	H5'2	118.2°	120.1°
C4'	C5'	O5'	HO5'	180.0°	179.9°
C5'	C4'	O4'	C3'	121.7°	118.5°
C5'	C4'	O4'	H4'	119.9°	122.8°
C5'	C4'	C3'	H4'	120.3°	122.8°
C5'	C4'	O4'	C1'	107.6°	158.5°
C5'	C4'	C3'	C2'	98.5°	155.4°
C5'	C4'	C3'	O3'	137.5°	86.3°
C5'	C4'	C3'	H3'	21.7°	37.3°
H5'1	C5'	O5'	HO5'	54.8°	60.0°
H5'1	C5'	C4'	O4'	75.2°	56.3°
H5'1	C5'	C4'	C3'	41.8°	57.9°
H5'1	C5'	C4'	H4'	160.4°	179.2°
H5'2	C5'	O5'	HO5'	54.7°	60.1°
H5'2	C5'	C4'	O4'	175.3°	176.4°
H5'2	C5'	C4'	C3'	67.7°	62.2°
H5'2	C5'	C4'	H4'	50.9°	60.6°
O4'	C4'	C3'	H4'	124.5°	118.6°
C4'	O4'	C1'	C2'	4.6°	26.5°
C4'	O4'	C1'	H1'	123.0°	92.9°
O4'	C4'	C3'	C2'	16.8°	36.8°
O4'	C4'	C3'	O3'	107.2°	155.1°
O4'	C4'	C3'	H3'	136.9°	81.3°
C3'	C4'	O4'	C1'	14.2°	40.0°
C4'	C3'	C2'	C1'	14.3°	20.7°
C4'	C3'	C2'	O2'	140.0°	98.0°
C4'	C3'	C2'	O3'	120.5°	118.4°
C4'	C3'	C2'	H3'	123.6°	118.0°
C4'	C3'	C2'	H2'	105.1°	139.4°
C4'	C3'	O3'	H3'	123.6°	123.6°
C4'	C3'	O3'	HO3'	180.0°	67.3°
H4'	C4'	O4'	C1'	132.5°	78.6°
H4'	C4'	C3'	C2'	141.3°	81.8°
H4'	C4'	C3'	O3'	17.3°	36.5°
H4'	C4'	C3'	H3'	98.6°	160.1°
O4'	C1'	C2'	H1'	125.6°	119.4°
O4'	C1'	C2'	O2'	133.3°	120.8°
O4'	C1'	C2'	C3'	6.6°	2.2°
O4'	C1'	C2'	H2'	111.7°	116.7°
C1'	C2'	O2'	C3'	123.3°	114.8°
C1'	C2'	O2'	H2'	119.0°	122.5°
C1'	C2'	C3'	H2'	119.5°	118.7°
C1'	C2'	O2'	HO2'	180.0°	180.0°
C1'	C2'	C3'	O3'	106.2°	139.1°
C1'	C2'	C3'	H3'	138.0°	97.3°
H1'	C1'	C2'	O2'	7.7°	1.4°
H1'	C1'	C2'	C3'	119.0°	117.3°
H1'	C1'	C2'	H2'	122.7°	123.9°
O2'	C2'	C3'	H2'	114.9°	122.6°
O2'	C2'	C3'	O3'	19.5°	20.4°
O2'	C2'	C3'	H3'	96.4°	144.0°
C3'	C2'	O2'	HO2'	56.7°	65.2°
C2'	C3'	O3'	H3'	120.1°	123.6°
C2'	C3'	O3'	HO3'	63.6°	179.9°
H2'	C2'	O2'	HO2'	61.0°	57.5°
H2'	C2'	C3'	O3'	134.3°	102.2°
H2'	C2'	C3'	H3'	18.5°	21.4°
H3'	C3'	O3'	HO3'	56.4°	56.3°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1A9P