2FD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O5'	C5'	sing	1.43Å	1.43Å
O5'	H5'	sing	0.97Å	0.95Å
C5'	C4'	sing	1.53Å	1.54Å
C5'	H5'1	sing	1.09Å	1.11Å
C5'	H5'2	sing	1.09Å	1.12Å
C4'	O4'	sing	1.45Å	1.47Å
C4'	C3'	sing	1.55Å	1.53Å
C4'	H4'	sing	1.09Å	1.11Å
O4'	C1'	sing	1.44Å	1.44Å
C1'	N9	sing	1.46Å	1.52Å
C1'	C2'	sing	1.54Å	1.55Å
C1'	H1'	sing	1.09Å	1.12Å
N9	C4	sing	1.37Å	1.40Å	Aromatic
N9	C8	sing	1.36Å	1.33Å	Aromatic
C4	N3	doub	1.33Å	1.36Å	Aromatic
C4	C5	sing	1.41Å	1.37Å	Aromatic
N3	C2	sing	1.32Å	1.35Å	Aromatic
C2	F	sing	1.35Å	1.30Å
C2	N1	doub	1.32Å	1.33Å	Aromatic
N1	C6	sing	1.33Å	1.34Å	Aromatic
C6	N6	sing	1.38Å	1.31Å
C6	C5	doub	1.41Å	1.42Å	Aromatic
N6	HN61	sing	0.97Å	1.02Å
N6	HN62	sing	0.97Å	1.02Å
C5	N7	sing	1.35Å	1.37Å	Aromatic
N7	C8	doub	1.30Å	1.29Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
C2'	C3'	sing	1.55Å	1.55Å
C2'	H2'1	sing	1.09Å	1.11Å
C2'	H2'2	sing	1.09Å	1.11Å
C3'	O3'	sing	1.43Å	1.40Å
C3'	H3'	sing	1.09Å	1.12Å
O3'	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5'	O5'	H5'	111.0°	106.8°
O5'	C5'	C4'	111.0°	109.4°
O5'	C5'	H5'1	111.7°	109.5°
O5'	C5'	H5'2	111.6°	109.5°
C4'	C5'	H5'1	111.6°	109.4°
C4'	C5'	H5'2	111.6°	109.4°
C5'	C4'	O4'	115.4°	110.8°
C5'	C4'	C3'	113.5°	110.6°
C5'	C4'	H4'	101.0°	110.5°
H5'1	C5'	H5'2	98.8°	109.5°
O4'	C4'	C3'	105.2°	103.6°
O4'	C4'	H4'	110.0°	110.5°
C4'	O4'	C1'	111.3°	106.8°
C3'	C4'	H4'	112.0°	110.6°
C4'	C3'	C2'	101.3°	102.1°
C4'	C3'	O3'	106.9°	110.9°
C4'	C3'	H3'	117.4°	110.9°
O4'	C1'	N9	106.5°	109.9°
O4'	C1'	C2'	102.7°	107.5°
O4'	C1'	H1'	117.7°	109.9°
N9	C1'	C2'	115.4°	109.8°
N9	C1'	H1'	105.6°	109.9°
C1'	N9	C4	133.2°	126.3°
C1'	N9	C8	124.7°	126.3°
C2'	C1'	H1'	109.2°	109.9°
C1'	C2'	C3'	109.4°	104.2°
C1'	C2'	H2'1	112.2°	110.5°
C1'	C2'	H2'2	112.2°	110.5°
C4	N9	C8	102.1°	107.4°
N9	C4	N3	128.7°	134.9°
N9	C4	C5	106.8°	106.0°
N9	C8	N7	118.4°	109.9°
N9	C8	H8	122.2°	125.0°
N3	C4	C5	124.5°	119.1°
C4	N3	C2	113.6°	120.6°
C4	C5	C6	116.9°	118.2°
C4	C5	N7	110.6°	107.2°
N3	C2	F	118.4°	118.8°
N3	C2	N1	126.8°	122.4°
F	C2	N1	114.9°	118.8°
C2	N1	C6	118.8°	121.2°
N1	C6	N6	118.1°	120.7°
N1	C6	C5	119.4°	118.5°
N6	C6	C5	122.5°	120.8°
C6	N6	HN61	109.1°	120.0°
C6	N6	HN62	118.1°	120.0°
C6	C5	N7	132.4°	134.6°
HN61	N6	HN62	109.1°	120.0°
C5	N7	C8	102.1°	109.5°
N7	C8	H8	119.3°	125.1°
C3'	C2'	H2'1	112.2°	110.5°
C3'	C2'	H2'2	112.2°	110.5°
C2'	C3'	O3'	113.1°	110.9°
C2'	C3'	H3'	111.7°	110.9°
H2'1	C2'	H2'2	98.2°	110.5°
O3'	C3'	H3'	106.6°	110.8°
C3'	O3'	H1	106.9°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O5'	C5'	C4'	H5'1	125.3°	120.0°
O5'	C5'	C4'	H5'2	125.3°	120.0°
O5'	C5'	H5'1	H5'2	117.6°	120.0°
O5'	C5'	C4'	O4'	57.6°	70.7°
O5'	C5'	C4'	C3'	179.1°	175.0°
O5'	C5'	C4'	H4'	60.9°	52.1°
H5'	O5'	C5'	C4'	180.0°	180.0°
H5'	O5'	C5'	H5'1	54.7°	60.0°
H5'	O5'	C5'	H5'2	54.7°	60.1°
C4'	C5'	H5'1	H5'2	117.5°	120.0°
C5'	C4'	O4'	C3'	125.9°	118.7°
C5'	C4'	O4'	H4'	113.4°	122.9°
C5'	C4'	C3'	H4'	113.6°	122.8°
C5'	C4'	O4'	C1'	92.9°	158.5°
C5'	C4'	C3'	C2'	98.0°	155.7°
C5'	C4'	C3'	O3'	143.4°	86.1°
C5'	C4'	C3'	H3'	23.9°	37.5°
H5'1	C5'	C4'	O4'	177.1°	169.3°
H5'1	C5'	C4'	C3'	55.6°	55.0°
H5'1	C5'	C4'	H4'	64.4°	67.9°
H5'2	C5'	C4'	O4'	67.7°	49.3°
H5'2	C5'	C4'	C3'	53.8°	65.0°
H5'2	C5'	C4'	H4'	173.8°	172.1°
O4'	C4'	C3'	H4'	119.4°	118.4°
C4'	O4'	C1'	N9	101.0°	145.8°
C4'	O4'	C1'	C2'	20.7°	26.4°
C4'	O4'	C1'	H1'	140.7°	93.2°
O4'	C4'	C3'	C2'	29.0°	36.9°
O4'	C4'	C3'	O3'	89.6°	155.1°
O4'	C4'	C3'	H3'	150.9°	81.2°
C3'	C4'	O4'	C1'	33.0°	39.9°
C4'	C3'	C2'	C1'	17.4°	20.8°
C4'	C3'	C2'	O3'	114.1°	118.3°
C4'	C3'	C2'	H3'	125.8°	118.2°
C4'	C3'	C2'	H2'1	107.9°	97.8°
C4'	C3'	C2'	H2'2	142.7°	139.5°
C4'	C3'	O3'	H3'	126.3°	123.7°
C4'	C3'	O3'	H1	180.0°	174.2°
H4'	C4'	O4'	C1'	153.7°	78.6°
H4'	C4'	C3'	C2'	148.4°	81.5°
H4'	C4'	C3'	O3'	29.8°	36.7°
H4'	C4'	C3'	H3'	89.7°	160.3°
O4'	C1'	N9	C2'	113.3°	118.0°
O4'	C1'	N9	H1'	126.0°	121.0°
O4'	C1'	C2'	H1'	125.7°	119.6°
O4'	C1'	N9	C4	100.2°	156.7°
O4'	C1'	N9	C8	79.6°	23.3°
O4'	C1'	C2'	C3'	1.0°	2.0°
O4'	C1'	C2'	H2'1	126.2°	120.7°
O4'	C1'	C2'	H2'2	124.3°	116.7°
N9	C1'	C2'	H1'	118.8°	121.0°
C1'	N9	C4	C8	179.8°	180.0°
C1'	N9	C4	N3	0.2°	0.1°
C1'	N9	C4	C5	179.7°	179.8°
C1'	N9	C8	N7	179.8°	180.0°
C1'	N9	C8	H8	0.2°	0.0°
N9	C1'	C2'	C3'	114.5°	121.5°
N9	C1'	C2'	H2'1	10.8°	119.9°
N9	C1'	C2'	H2'2	120.2°	2.8°
C2'	C1'	N9	C4	13.1°	85.3°
C2'	C1'	N9	C8	167.2°	94.7°
C1'	C2'	C3'	H2'1	125.3°	118.7°
C1'	C2'	C3'	H2'2	125.3°	118.7°
C1'	C2'	H2'1	H2'2	118.1°	122.6°
C1'	C2'	C3'	O3'	96.7°	139.1°
C1'	C2'	C3'	H3'	143.2°	97.3°
H1'	C1'	N9	C4	133.8°	35.6°
H1'	C1'	N9	C8	46.4°	144.3°
H1'	C1'	C2'	C3'	126.7°	117.6°
H1'	C1'	C2'	H2'1	108.0°	1.1°
H1'	C1'	C2'	H2'2	1.4°	123.7°
N9	C4	N3	C5	179.9°	179.7°
N9	C4	N3	C2	179.9°	179.9°
N9	C4	C5	C6	179.8°	179.7°
N9	C4	C5	N7	0.1°	0.4°
C4	N9	C8	N7	0.0°	0.0°
C4	N9	C8	H8	180.0°	179.9°
C8	N9	C4	N3	180.0°	180.0°
C8	N9	C4	C5	0.1°	0.3°
N9	C8	N7	C5	0.0°	0.2°
N9	C8	N7	H8	180.0°	180.0°
C4	N3	C2	F	179.8°	180.0°
C4	N3	C2	N1	0.0°	0.0°
N3	C4	C5	C6	0.1°	0.5°
N3	C4	C5	N7	180.0°	179.8°
C5	C4	N3	C2	0.0°	0.3°
C4	C5	C6	N1	0.1°	0.5°
C4	C5	C6	N6	180.0°	179.8°
C4	C5	C6	N7	179.9°	179.1°
C4	C5	N7	C8	0.0°	0.4°
N3	C2	F	N1	179.8°	180.0°
N3	C2	N1	C6	0.0°	0.1°
F	C2	N1	C6	179.8°	180.0°
C2	N1	C6	N6	180.0°	180.0°
C2	N1	C6	C5	0.1°	0.2°
N1	C6	N6	C5	179.9°	179.7°
N1	C6	N6	HN61	54.7°	0.0°
N1	C6	N6	HN62	180.0°	179.7°
N1	C6	C5	N7	180.0°	179.6°
C6	N6	HN61	HN62	130.3°	179.7°
N6	C6	C5	N7	0.1°	0.7°
C5	C6	N6	HN61	125.2°	179.7°
C5	C6	N6	HN62	0.0°	0.6°
C6	C5	N7	C8	179.9°	179.5°
C5	N7	C8	H8	180.0°	179.8°
C3'	C2'	H2'1	H2'2	118.1°	122.6°
C2'	C3'	O3'	H3'	123.1°	123.6°
C2'	C3'	O3'	H1	69.3°	61.5°
H2'1	C2'	C3'	O3'	138.1°	20.4°
H2'1	C2'	C3'	H3'	17.9°	144.0°
H2'2	C2'	C3'	O3'	28.6°	102.2°
H2'2	C2'	C3'	H3'	91.6°	21.4°
H3'	C3'	O3'	H1	53.7°	62.2°

Definition date:	2003-08-06
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	1PKE