3DG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N9	C1'	sing	1.46Å	1.50Å
N9	C8	sing	1.37Å	1.39Å	Aromatic
N9	C4	sing	1.37Å	1.37Å	Aromatic
C1'	C2'	sing	1.54Å	1.59Å
C1'	O4'	sing	1.44Å	1.46Å
C1'	H1'	sing	1.09Å	1.11Å
C2'	C3'	sing	1.55Å	1.62Å
C2'	O2'	sing	1.43Å	1.46Å
C2'	H2'	sing	1.09Å	1.12Å
C3'	C4'	sing	1.54Å	1.56Å
C3'	H3'1	sing	1.09Å	1.12Å
C3'	H3'2	sing	1.09Å	1.12Å
C4'	O4'	sing	1.44Å	1.46Å
C4'	C5'	sing	1.53Å	1.53Å
C4'	H4'	sing	1.09Å	1.11Å
C5'	O5'	sing	1.43Å	1.46Å
C5'	H5'1	sing	1.09Å	1.11Å
C5'	H5'2	sing	1.09Å	1.11Å
O5'	H5'	sing	0.97Å	0.95Å
O2'	H1	sing	0.97Å	0.95Å
C8	N7	doub	1.30Å	1.36Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
N7	C5	sing	1.36Å	1.37Å	Aromatic
C5	C6	sing	1.42Å	1.38Å
C5	C4	doub	1.40Å	1.39Å	Aromatic
C6	O6	doub	1.22Å	1.26Å
C6	N1	sing	1.35Å	1.41Å
N1	C2	sing	1.36Å	1.38Å
N1	HN1	sing	0.97Å	1.02Å
C2	N2	sing	1.37Å	1.34Å
C2	N3	doub	1.31Å	1.33Å
N2	HN21	sing	0.97Å	1.02Å
N2	HN22	sing	0.97Å	1.02Å
N3	C4	sing	1.34Å	1.35Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1'	N9	C8	119.2°	126.2°
C1'	N9	C4	128.7°	126.3°
N9	C1'	C2'	123.7°	110.4°
N9	C1'	O4'	107.4°	110.4°
N9	C1'	H1'	99.7°	110.3°
C8	N9	C4	112.1°	107.4°
N9	C8	N7	107.0°	109.8°
N9	C8	H8	127.2°	125.0°
N9	C4	C5	101.9°	106.1°
N9	C4	N3	129.4°	134.2°
C2'	C1'	O4'	105.8°	104.9°
C2'	C1'	H1'	101.5°	110.4°
C1'	C2'	C3'	106.6°	104.0°
C1'	C2'	O2'	108.3°	110.8°
C1'	C2'	H2'	111.8°	110.4°
O4'	C1'	H1'	119.7°	110.4°
C1'	O4'	C4'	111.2°	105.3°
C3'	C2'	O2'	108.5°	110.5°
C3'	C2'	H2'	111.5°	110.5°
C2'	C3'	C4'	101.5°	104.1°
C2'	C3'	H3'1	115.3°	110.6°
C2'	C3'	H3'2	115.3°	110.4°
O2'	C2'	H2'	109.9°	110.4°
C2'	O2'	H1	108.3°	106.8°
C4'	C3'	H3'1	115.3°	110.6°
C4'	C3'	H3'2	115.3°	110.5°
C3'	C4'	O4'	108.6°	104.8°
C3'	C4'	C5'	116.1°	110.5°
C3'	C4'	H4'	104.1°	110.4°
H3'1	C3'	H3'2	95.2°	110.6°
O4'	C4'	C5'	104.6°	110.4°
O4'	C4'	H4'	115.7°	110.4°
C5'	C4'	H4'	108.2°	110.3°
C4'	C5'	O5'	105.9°	109.5°
C4'	C5'	H5'1	113.6°	109.4°
C4'	C5'	H5'2	113.6°	109.5°
O5'	C5'	H5'1	113.6°	109.5°
O5'	C5'	H5'2	113.6°	109.5°
C5'	O5'	H5'	105.8°	106.8°
H5'1	C5'	H5'2	96.9°	109.4°
N7	C8	H8	125.8°	125.1°
C8	N7	C5	105.6°	109.3°
N7	C5	C6	126.8°	134.1°
N7	C5	C4	113.3°	107.3°
C6	C5	C4	119.9°	118.6°
C5	C6	O6	125.8°	120.9°
C5	C6	N1	111.7°	118.3°
C5	C4	N3	128.7°	119.7°
O6	C6	N1	122.4°	120.8°
C6	N1	C2	124.3°	120.3°
C6	N1	HN1	118.9°	119.8°
C2	N1	HN1	116.7°	119.9°
N1	C2	N2	117.9°	119.1°
N1	C2	N3	123.8°	121.9°
N2	C2	N3	118.2°	119.0°
C2	N2	HN21	109.2°	120.0°
C2	N2	HN22	117.9°	120.0°
C2	N3	C4	111.5°	121.1°
HN21	N2	HN22	109.1°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1'	N9	C8	C4	180.0°	180.0°
N9	C1'	C2'	O4'	124.3°	119.0°
N9	C1'	C2'	H1'	110.0°	122.1°
N9	C1'	O4'	H1'	112.5°	122.2°
N9	C1'	C2'	C3'	123.2°	142.8°
N9	C1'	C2'	O2'	120.2°	98.5°
N9	C1'	C2'	H2'	1.0°	24.2°
N9	C1'	O4'	C4'	117.3°	159.3°
C1'	N9	C8	N7	179.5°	180.0°
C1'	N9	C8	H8	0.5°	0.0°
C1'	N9	C4	C5	178.7°	180.0°
C1'	N9	C4	N3	0.2°	0.0°
C8	N9	C1'	C2'	175.4°	93.5°
C8	N9	C1'	O4'	51.8°	22.1°
C8	N9	C1'	H1'	73.7°	144.3°
N9	C8	N7	H8	180.0°	180.0°
N9	C8	N7	C5	0.6°	0.0°
C8	N9	C4	C5	1.3°	0.0°
C8	N9	C4	N3	179.8°	180.0°
C4	N9	C1'	C2'	4.6°	86.5°
C4	N9	C1'	O4'	128.2°	157.9°
C4	N9	C1'	H1'	106.3°	35.7°
C4	N9	C8	N7	0.5°	0.0°
C4	N9	C8	H8	179.5°	180.0°
N9	C4	C5	N7	1.8°	0.0°
N9	C4	C5	C6	179.1°	180.0°
N9	C4	C5	N3	178.9°	180.0°
N9	C4	N3	C2	178.7°	180.0°
C2'	C1'	O4'	H1'	113.6°	118.9°
C1'	C2'	C3'	O2'	116.5°	119.0°
C1'	C2'	C3'	H2'	122.3°	118.5°
C1'	C2'	O2'	H2'	122.4°	122.7°
C1'	C2'	C3'	C4'	13.0°	0.2°
C1'	C2'	C3'	H3'1	138.3°	118.6°
C1'	C2'	C3'	H3'2	112.2°	118.8°
C2'	C1'	O4'	C4'	16.7°	40.4°
C1'	C2'	O2'	H1	180.0°	176.1°
O4'	C1'	C2'	C3'	1.1°	23.8°
O4'	C1'	C2'	O2'	115.5°	142.6°
O4'	C1'	C2'	H2'	123.3°	94.8°
C1'	O4'	C4'	C3'	26.4°	40.5°
C1'	O4'	C4'	C5'	98.2°	159.4°
C1'	O4'	C4'	H4'	142.9°	78.4°
H1'	C1'	C2'	C3'	126.8°	95.1°
H1'	C1'	C2'	O2'	10.2°	23.7°
H1'	C1'	C2'	H2'	111.0°	146.3°
H1'	C1'	O4'	C4'	130.2°	78.5°
C3'	C2'	O2'	H2'	122.2°	122.6°
C2'	C3'	C4'	H3'1	125.3°	118.8°
C2'	C3'	C4'	H3'2	125.3°	118.5°
C2'	C3'	H3'1	H3'2	121.1°	122.6°
C2'	C3'	C4'	O4'	23.3°	24.1°
C2'	C3'	C4'	C5'	94.2°	143.0°
C2'	C3'	C4'	H4'	147.1°	94.8°
C3'	C2'	O2'	H1	64.6°	61.4°
O2'	C2'	C3'	C4'	129.5°	118.8°
O2'	C2'	C3'	H3'1	105.2°	122.5°
O2'	C2'	C3'	H3'2	4.2°	0.2°
H2'	C2'	C3'	C4'	109.3°	118.7°
H2'	C2'	C3'	H3'1	16.0°	0.0°
H2'	C2'	C3'	H3'2	125.5°	122.7°
H2'	C2'	O2'	H1	57.6°	61.2°
C4'	C3'	H3'1	H3'2	121.1°	122.7°
C3'	C4'	O4'	C5'	124.5°	118.9°
C3'	C4'	O4'	H4'	116.6°	118.9°
C3'	C4'	C5'	H4'	116.5°	122.4°
C3'	C4'	C5'	O5'	177.9°	178.1°
C3'	C4'	C5'	H5'1	52.6°	58.1°
C3'	C4'	C5'	H5'2	56.9°	61.8°
H3'1	C3'	C4'	O4'	148.6°	94.7°
H3'1	C3'	C4'	C5'	31.1°	24.2°
H3'1	C3'	C4'	H4'	87.6°	146.5°
H3'2	C3'	C4'	O4'	102.0°	142.6°
H3'2	C3'	C4'	C5'	140.6°	98.5°
H3'2	C3'	C4'	H4'	21.8°	23.7°
O4'	C4'	C5'	H4'	123.9°	122.2°
O4'	C4'	C5'	O5'	58.2°	66.4°
O4'	C4'	C5'	H5'1	67.0°	173.6°
O4'	C4'	C5'	H5'2	176.5°	53.6°
C4'	C5'	O5'	H5'1	125.3°	120.0°
C4'	C5'	O5'	H5'2	125.3°	120.0°
C4'	C5'	H5'1	H5'2	119.5°	120.0°
C4'	C5'	O5'	H5'	180.0°	180.0°
H4'	C4'	C5'	O5'	65.6°	55.8°
H4'	C4'	C5'	H5'1	169.1°	64.2°
H4'	C4'	C5'	H5'2	59.6°	175.8°
O5'	C5'	H5'1	H5'2	119.5°	120.0°
H5'1	C5'	O5'	H5'	54.7°	60.0°
H5'2	C5'	O5'	H5'	54.7°	59.9°
C8	N7	C5	C6	179.4°	180.0°
C8	N7	C5	C4	1.6°	0.0°
H8	C8	N7	C5	179.4°	180.0°
N7	C5	C6	C4	179.0°	180.0°
N7	C5	C6	O6	1.7°	0.1°
N7	C5	C6	N1	179.3°	179.8°
N7	C5	C4	N3	179.3°	180.0°
C5	C6	O6	N1	179.0°	179.7°
C5	C6	N1	C2	0.3°	0.6°
C5	C6	N1	HN1	179.7°	180.0°
C6	C5	C4	N3	0.2°	0.0°
C4	C5	C6	O6	179.3°	180.0°
C4	C5	C6	N1	0.3°	0.3°
C5	C4	N3	C2	0.2°	0.0°
O6	C6	N1	C2	179.4°	179.7°
O6	C6	N1	HN1	0.6°	0.3°
C6	N1	C2	HN1	180.0°	179.5°
C6	N1	C2	N2	178.6°	179.7°
C6	N1	C2	N3	0.3°	0.6°
N1	C2	N2	N3	178.4°	179.7°
N1	C2	N2	HN21	54.7°	179.7°
N1	C2	N2	HN22	180.0°	0.6°
N1	C2	N3	C4	0.2°	0.3°
HN1	N1	C2	N2	1.3°	0.2°
HN1	N1	C2	N3	179.7°	179.9°
C2	N2	HN21	HN22	130.2°	179.7°
N2	C2	N3	C4	178.5°	180.0°
N3	C2	N2	HN21	123.7°	0.0°
N3	C2	N2	HN22	1.5°	179.7°

Definition date:	2003-11-10
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	1V45