DOC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.34Å	1.42Å
N1	C6	sing	1.36Å	1.36Å
N1	C1'	sing	1.46Å	1.48Å
C2	N3	sing	1.33Å	1.34Å
C2	O2	doub	1.22Å	1.26Å
N3	C4	doub	1.33Å	1.31Å
C4	C5	sing	1.41Å	1.45Å
C4	N4	sing	1.38Å	1.33Å
C5	C6	doub	1.35Å	1.35Å
C5	H5	sing	1.08Å	1.10Å
C6	H6	sing	1.08Å	1.10Å
N4	HN41	sing	0.97Å	1.02Å
N4	HN42	sing	0.97Å	1.02Å
C1'	C2'	sing	1.54Å	1.52Å
C1'	O4'	sing	1.44Å	1.41Å
C1'	H1'	sing	1.09Å	1.12Å
C2'	C3'	sing	1.55Å	1.53Å
C2'	H2'	sing	1.09Å	1.12Å
C2'	H2''	sing	1.09Å	1.12Å
C3'	C4'	sing	1.55Å	1.54Å
C3'	H3'1	sing	1.09Å	1.12Å
C3'	H3'2	sing	1.09Å	1.12Å
C4'	O4'	sing	1.45Å	1.44Å
C4'	C5'	sing	1.53Å	1.51Å
C4'	H4'	sing	1.09Å	1.12Å
C5'	O5'	sing	1.43Å	1.41Å
C5'	H5'	sing	1.09Å	1.11Å
C5'	H5''	sing	1.09Å	1.11Å
O5'	P	sing	1.61Å	1.60Å
P	OP1	doub	1.48Å	1.48Å
P	OP2	sing	1.61Å	1.47Å
P	OP3	sing	1.61Å	1.57Å
OP2	HOP2	sing	0.97Å	0.95Å
OP3	HOP3	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C6	120.7°	120.3°
C2	N1	C1'	118.5°	119.8°
N1	C2	N3	119.1°	121.1°
N1	C2	O2	119.9°	119.5°
C6	N1	C1'	120.8°	119.8°
N1	C6	C5	120.1°	119.3°
N1	C6	H6	120.3°	120.3°
N1	C1'	C2'	120.7°	109.9°
N1	C1'	O4'	109.3°	109.9°
N1	C1'	H1'	101.8°	109.9°
N3	C2	O2	120.9°	119.4°
C2	N3	C4	120.7°	120.7°
N3	C4	C5	121.9°	119.6°
N3	C4	N4	116.4°	120.2°
C5	C4	N4	121.6°	120.2°
C4	C5	C6	117.4°	119.0°
C4	C5	H5	124.5°	120.5°
C4	N4	HN41	116.4°	120.0°
C4	N4	HN42	109.7°	119.9°
C6	C5	H5	118.1°	120.5°
C5	C6	H6	119.6°	120.4°
HN41	N4	HN42	109.7°	120.0°
C2'	C1'	O4'	111.1°	107.5°
C2'	C1'	H1'	99.6°	109.9°
C1'	C2'	C3'	103.3°	104.2°
C1'	C2'	H2'	114.6°	110.6°
C1'	C2'	H2''	114.6°	110.6°
O4'	C1'	H1'	113.6°	109.9°
C1'	O4'	C4'	110.6°	106.8°
C3'	C2'	H2'	114.6°	110.4°
C3'	C2'	H2''	114.6°	110.4°
C2'	C3'	C4'	107.2°	102.1°
C2'	C3'	H3'1	113.0°	110.9°
C2'	C3'	H3'2	113.1°	110.9°
H2'	C2'	H2''	95.8°	110.5°
C4'	C3'	H3'1	113.1°	110.9°
C4'	C3'	H3'2	113.1°	110.9°
C3'	C4'	O4'	107.1°	103.6°
C3'	C4'	C5'	114.6°	110.7°
C3'	C4'	H4'	107.0°	110.6°
H3'1	C3'	H3'2	97.4°	110.9°
O4'	C4'	C5'	107.6°	110.8°
O4'	C4'	H4'	114.2°	110.5°
C5'	C4'	H4'	106.6°	110.5°
C4'	C5'	O5'	110.7°	109.6°
C4'	C5'	H5'	111.7°	109.5°
C4'	C5'	H5''	111.7°	109.4°
O5'	C5'	H5'	111.8°	109.5°
O5'	C5'	H5''	111.7°	109.5°
C5'	O5'	P	114.5°	106.8°
H5'	C5'	H5''	98.7°	109.4°
O5'	P	OP1	112.3°	109.5°
O5'	P	OP2	107.1°	109.5°
O5'	P	OP3	101.6°	109.5°
OP1	P	OP2	122.3°	109.5°
OP1	P	OP3	103.2°	109.5°
OP2	P	OP3	108.3°	109.4°
P	OP2	HOP2	107.1°	106.8°
P	OP3	HOP3	101.6°	106.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	N1	C6	C1'	178.4°	180.0°
N1	C2	N3	O2	179.9°	180.0°
N1	C2	N3	C4	0.1°	0.0°
C2	N1	C6	C5	0.6°	0.3°
C2	N1	C6	H6	179.5°	180.0°
C2	N1	C1'	C2'	94.8°	59.7°
C2	N1	C1'	O4'	134.6°	58.3°
C2	N1	C1'	H1'	14.1°	179.3°
C6	N1	C2	N3	0.3°	0.0°
C6	N1	C2	O2	179.8°	180.0°
N1	C6	C5	C4	0.4°	0.4°
N1	C6	C5	H6	179.9°	179.7°
N1	C6	C5	H5	179.6°	180.0°
C6	N1	C1'	C2'	86.8°	120.3°
C6	N1	C1'	O4'	43.8°	121.7°
C6	N1	C1'	H1'	164.3°	0.7°
C1'	N1	C2	N3	178.7°	180.0°
C1'	N1	C2	O2	1.4°	0.0°
C1'	N1	C6	C5	178.9°	179.8°
C1'	N1	C6	H6	1.1°	0.0°
N1	C1'	C2'	O4'	129.9°	119.5°
N1	C1'	C2'	H1'	110.0°	121.0°
N1	C1'	O4'	H1'	113.0°	121.0°
N1	C1'	C2'	C3'	138.7°	121.4°
N1	C1'	C2'	H2'	96.0°	119.9°
N1	C1'	C2'	H2''	13.4°	2.8°
N1	C1'	O4'	C4'	144.1°	145.8°
C2	N3	C4	C5	0.2°	0.1°
C2	N3	C4	N4	179.8°	180.0°
O2	C2	N3	C4	179.9°	180.0°
N3	C4	C5	N4	179.5°	179.8°
N3	C4	C5	C6	0.0°	0.4°
N3	C4	C5	H5	179.9°	179.9°
N3	C4	N4	HN41	180.0°	0.1°
N3	C4	N4	HN42	54.7°	179.7°
C4	C5	C6	H5	179.9°	179.5°
C4	C5	C6	H6	179.7°	179.8°
C5	C4	N4	HN41	0.5°	179.8°
C5	C4	N4	HN42	124.8°	0.5°
N4	C4	C5	C6	179.5°	179.8°
N4	C4	C5	H5	0.5°	0.2°
C4	N4	HN41	HN42	125.3°	179.7°
H5	C5	C6	H6	0.4°	0.3°
C2'	C1'	O4'	H1'	111.4°	119.5°
C1'	C2'	C3'	H2'	125.3°	118.8°
C1'	C2'	C3'	H2''	125.3°	118.7°
C1'	C2'	H2'	H2''	120.4°	122.7°
C1'	C2'	C3'	C4'	5.8°	20.9°
C1'	C2'	C3'	H3'1	119.5°	139.0°
C1'	C2'	C3'	H3'2	131.1°	97.3°
C2'	C1'	O4'	C4'	8.5°	26.3°
O4'	C1'	C2'	C3'	8.8°	1.9°
O4'	C1'	C2'	H2'	134.1°	120.6°
O4'	C1'	C2'	H2''	116.5°	116.7°
C1'	O4'	C4'	C3'	4.3°	39.9°
C1'	O4'	C4'	C5'	128.0°	158.6°
C1'	O4'	C4'	H4'	114.0°	78.6°
H1'	C1'	C2'	C3'	111.3°	117.6°
H1'	C1'	C2'	H2'	14.0°	1.1°
H1'	C1'	C2'	H2''	123.4°	123.8°
H1'	C1'	O4'	C4'	102.9°	93.2°
C3'	C2'	H2'	H2''	120.4°	122.5°
C2'	C3'	C4'	H3'1	125.2°	118.2°
C2'	C3'	C4'	H3'2	125.3°	118.2°
C2'	C3'	H3'1	H3'2	118.9°	123.7°
C2'	C3'	C4'	O4'	1.3°	36.9°
C2'	C3'	C4'	C5'	118.0°	155.7°
C2'	C3'	C4'	H4'	124.1°	81.5°
H2'	C2'	C3'	C4'	131.1°	97.9°
H2'	C2'	C3'	H3'1	5.8°	20.3°
H2'	C2'	C3'	H3'2	103.6°	144.0°
H2''	C2'	C3'	C4'	119.5°	139.6°
H2''	C2'	C3'	H3'1	115.2°	102.2°
H2''	C2'	C3'	H3'2	5.8°	21.5°
C4'	C3'	H3'1	H3'2	119.0°	123.6°
C3'	C4'	O4'	C5'	123.6°	118.7°
C3'	C4'	O4'	H4'	118.3°	118.5°
C3'	C4'	C5'	H4'	118.2°	122.9°
C3'	C4'	C5'	O5'	69.1°	180.0°
C3'	C4'	C5'	H5'	165.6°	59.9°
C3'	C4'	C5'	H5''	56.1°	60.0°
H3'1	C3'	C4'	O4'	123.9°	155.1°
H3'1	C3'	C4'	C5'	116.8°	86.1°
H3'1	C3'	C4'	H4'	1.1°	36.7°
H3'2	C3'	C4'	O4'	126.6°	81.2°
H3'2	C3'	C4'	C5'	7.3°	37.5°
H3'2	C3'	C4'	H4'	110.6°	160.4°
O4'	C4'	C5'	H4'	122.9°	122.8°
O4'	C4'	C5'	O5'	49.8°	65.7°
O4'	C4'	C5'	H5'	75.5°	174.3°
O4'	C4'	C5'	H5''	175.1°	54.4°
C4'	C5'	O5'	H5'	125.3°	120.1°
C4'	C5'	O5'	H5''	125.2°	120.0°
C4'	C5'	H5'	H5''	117.6°	119.9°
C4'	C5'	O5'	P	178.5°	180.0°
H4'	C4'	C5'	O5'	172.7°	57.1°
H4'	C4'	C5'	H5'	47.4°	62.9°
H4'	C4'	C5'	H5''	62.1°	177.1°
O5'	C5'	H5'	H5''	117.7°	120.0°
C5'	O5'	P	OP1	175.1°	60.0°
C5'	O5'	P	OP2	48.0°	180.0°
C5'	O5'	P	OP3	65.5°	60.0°
H5'	C5'	O5'	P	56.2°	60.0°
H5''	C5'	O5'	P	53.3°	60.0°
O5'	P	OP1	OP2	129.5°	120.0°
O5'	P	OP1	OP3	108.6°	120.0°
O5'	P	OP2	OP3	108.8°	120.0°
O5'	P	OP2	HOP2	180.0°	179.9°
O5'	P	OP3	HOP3	180.0°	60.0°
OP1	P	OP2	OP3	119.5°	120.0°
OP1	P	OP2	HOP2	48.4°	59.9°
OP1	P	OP3	HOP3	63.6°	180.0°
OP2	P	OP3	HOP3	67.4°	60.0°
OP3	P	OP2	HOP2	71.2°	60.1°

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