XTY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
P	OP3	sing	1.62Å	1.61Å
P	OP2	doub	1.50Å	1.48Å
P	O5'	sing	1.62Å	1.61Å
P	OP1	sing	1.62Å	1.48Å
OP1	HO1P	sing	0.98Å	0.95Å
C5'	C4'	sing	1.52Å	1.53Å
C5'	O5'	sing	1.42Å	1.43Å
C5'	H5'1	sing	1.09Å	1.10Å
C5'	H5'2	sing	1.09Å	1.10Å
C4'	O4'	sing	1.44Å	1.43Å
C4'	C3'	sing	1.52Å	1.53Å
C4'	H4'	sing	1.10Å	1.10Å
O4'	C1'	sing	1.44Å	1.43Å
C3'	C2'	sing	1.51Å	1.52Å
C3'	O3'	sing	1.43Å	1.43Å
C3'	H3'	sing	1.09Å	1.10Å
C2'	C1'	sing	1.53Å	1.53Å
C2'	H2'1	sing	1.09Å	1.10Å
C2'	H2'2	sing	1.10Å	1.10Å
C1'	C8	sing	1.51Å	1.42Å
C1'	H1'	sing	1.10Å	1.10Å
C2	N3	sing	1.40Å	1.38Å
C2	O2	doub	1.23Å	1.23Å
C2	N	sing	1.38Å	1.39Å
N3	C4	sing	1.39Å	1.38Å
N3	HN3	sing	1.02Å	1.00Å
C4	O4	doub	1.23Å	1.23Å
C4	C5	sing	1.48Å	1.40Å
C5	CP	doub	1.40Å	1.41Å	Aromatic
C5	C6	sing	1.40Å	1.42Å	Aromatic
C6	N	sing	1.40Å	1.40Å
C6	C8	doub	1.40Å	1.42Å	Aromatic
N	HN	sing	1.02Å	1.00Å
CP	C7	sing	1.40Å	1.39Å	Aromatic
CP	HP	sing	1.09Å	1.08Å
CD	C7	doub	1.40Å	1.41Å	Aromatic
CD	C8	sing	1.40Å	1.42Å	Aromatic
CD	HD	sing	1.09Å	1.08Å
C7	C7A	sing	1.49Å	1.53Å
C7A	H7A1	sing	1.10Å	1.10Å
C7A	H7A2	sing	1.10Å	1.10Å
C7A	H7A3	sing	1.10Å	1.10Å
O3'	HO3'	sing	0.97Å	0.95Å
OP3	HO3P	sing	0.98Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OP3	P	OP2	108.5°	115.0°
OP3	P	O5'	102.8°	102.9°
OP3	P	OP1	108.2°	103.3°
P	OP3	HO3P	109.5°	118.9°
OP2	P	O5'	108.1°	115.0°
OP2	P	OP1	119.9°	115.3°
O5'	P	OP1	108.1°	103.7°
P	O5'	C5'	120.7°	118.5°
P	OP1	HO1P	109.5°	119.0°
C4'	C5'	O5'	111.9°	108.7°
C4'	C5'	H5'1	108.7°	110.0°
C4'	C5'	H5'2	108.2°	110.1°
C5'	C4'	O4'	108.7°	107.9°
C5'	C4'	C3'	114.8°	112.8°
C5'	C4'	H4'	105.2°	109.4°
O5'	C5'	H5'1	108.7°	109.2°
O5'	C5'	H5'2	108.1°	109.2°
H5'1	C5'	H5'2	111.3°	109.6°
O4'	C4'	C3'	105.7°	106.6°
O4'	C4'	H4'	114.5°	107.8°
C4'	O4'	C1'	111.9°	109.4°
C3'	C4'	H4'	108.3°	112.1°
C4'	C3'	C2'	104.3°	103.2°
C4'	C3'	O3'	107.1°	110.0°
C4'	C3'	H3'	113.5°	113.4°
O4'	C1'	C2'	104.5°	106.5°
O4'	C1'	C8	108.0°	112.2°
O4'	C1'	H1'	113.8°	107.0°
C2'	C3'	O3'	107.4°	109.8°
C2'	C3'	H3'	113.3°	113.2°
C3'	C2'	C1'	102.7°	102.4°
C3'	C2'	H2'1	111.8°	114.0°
C3'	C2'	H2'2	113.2°	109.6°
O3'	C3'	H3'	110.7°	107.3°
C3'	O3'	HO3'	109.5°	106.5°
C1'	C2'	H2'1	111.8°	111.7°
C1'	C2'	H2'2	113.2°	110.6°
C2'	C1'	C8	110.3°	113.0°
C2'	C1'	H1'	111.7°	110.3°
H2'1	C2'	H2'2	104.4°	108.4°
C8	C1'	H1'	108.4°	107.8°
C1'	C8	C6	119.3°	122.0°
C1'	C8	CD	122.9°	118.3°
N3	C2	O2	121.0°	122.3°
N3	C2	N	117.9°	115.3°
C2	N3	C4	124.7°	126.9°
C2	N3	HN3	117.7°	116.5°
O2	C2	N	121.1°	122.4°
C2	N	C6	119.5°	123.1°
C2	N	HN	120.3°	118.1°
C4	N3	HN3	117.6°	116.6°
N3	C4	O4	120.5°	123.6°
N3	C4	C5	117.7°	115.2°
O4	C4	C5	121.7°	121.2°
C4	C5	CP	120.4°	120.6°
C4	C5	C6	118.9°	119.2°
CP	C5	C6	120.8°	120.2°
C5	CP	C7	119.2°	119.6°
C5	CP	HP	120.4°	120.8°
C5	C6	N	121.3°	120.3°
C5	C6	C8	120.3°	120.1°
N	C6	C8	118.4°	119.6°
C6	N	HN	120.3°	118.8°
C6	C8	CD	117.9°	119.7°
C7	CP	HP	120.4°	119.6°
CP	C7	CD	120.3°	120.2°
CP	C7	C7A	119.7°	119.9°
C7	CD	C8	121.6°	120.1°
C7	CD	HD	119.2°	119.9°
CD	C7	C7A	119.9°	119.9°
C8	CD	HD	119.2°	120.0°
C7	C7A	H7A1	109.5°	110.4°
C7	C7A	H7A2	109.5°	111.2°
C7	C7A	H7A3	109.5°	111.2°
H7A1	C7A	H7A2	109.5°	108.5°
H7A1	C7A	H7A3	109.5°	108.5°
H7A2	C7A	H7A3	109.5°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OP3	P	OP2	O5'	110.8°	119.3°
OP3	P	OP2	OP1	124.8°	120.1°
OP3	P	O5'	OP1	114.2°	107.4°
OP3	P	OP1	HO1P	13.5°	77.4°
OP3	P	O5'	C5'	11.6°	54.2°
OP2	P	O5'	OP1	131.2°	126.8°
OP2	P	OP1	HO1P	111.4°	48.9°
OP2	P	O5'	C5'	126.2°	180.0°
OP2	P	OP3	HO3P	51.5°	48.0°
O5'	P	OP1	HO1P	124.2°	175.5°
P	O5'	C5'	C4'	178.5°	180.0°
P	O5'	C5'	H5'1	61.5°	59.9°
P	O5'	C5'	H5'2	59.5°	59.9°
O5'	P	OP3	HO3P	62.8°	173.8°
OP1	P	O5'	C5'	102.6°	53.2°
OP1	P	OP3	HO3P	177.1°	78.5°
C4'	C5'	O5'	H5'1	120.0°	120.1°
C4'	C5'	O5'	H5'2	119.0°	120.1°
C4'	C5'	H5'1	H5'2	119.1°	121.1°
C5'	C4'	O4'	C3'	123.7°	121.4°
C5'	C4'	O4'	H4'	117.3°	118.0°
C5'	C4'	C3'	H4'	117.2°	124.0°
C5'	C4'	O4'	C1'	123.1°	112.8°
C5'	C4'	C3'	C2'	99.1°	91.2°
C5'	C4'	C3'	O3'	147.2°	151.7°
C5'	C4'	C3'	H3'	24.7°	31.6°
O5'	C5'	H5'1	H5'2	119.0°	119.6°
O5'	C5'	C4'	O4'	143.6°	62.1°
O5'	C5'	C4'	C3'	25.6°	179.5°
O5'	C5'	C4'	H4'	93.3°	55.0°
H5'1	C5'	C4'	O4'	23.6°	57.5°
H5'1	C5'	C4'	C3'	94.4°	60.0°
H5'1	C5'	C4'	H4'	146.7°	174.6°
H5'2	C5'	C4'	O4'	97.4°	178.4°
H5'2	C5'	C4'	C3'	144.6°	60.9°
H5'2	C5'	C4'	H4'	25.6°	64.6°
O4'	C4'	C3'	H4'	123.0°	117.8°
O4'	C4'	C3'	C2'	20.6°	27.0°
O4'	C4'	C3'	O3'	93.0°	90.0°
O4'	C4'	C3'	H3'	144.4°	149.8°
C4'	O4'	C1'	C2'	19.5°	13.4°
C4'	O4'	C1'	C8	136.9°	137.5°
C4'	O4'	C1'	H1'	102.6°	104.5°
C3'	C4'	O4'	C1'	0.6°	8.6°
C4'	C3'	C2'	O3'	113.5°	117.3°
C4'	C3'	C2'	H3'	123.9°	123.0°
C4'	C3'	O3'	H3'	124.3°	123.8°
C4'	C3'	C2'	C1'	31.5°	33.9°
C4'	C3'	C2'	H2'1	151.5°	154.8°
C4'	C3'	C2'	H2'2	90.9°	83.5°
C4'	C3'	O3'	HO3'	53.8°	114.7°
H4'	C4'	O4'	C1'	119.6°	129.1°
H4'	C4'	C3'	C2'	143.7°	144.8°
H4'	C4'	C3'	O3'	30.0°	27.8°
H4'	C4'	C3'	H3'	92.6°	92.4°
O4'	C1'	C2'	C3'	31.3°	29.8°
O4'	C1'	C2'	C8	115.8°	123.6°
O4'	C1'	C2'	H1'	123.5°	115.7°
O4'	C1'	C2'	H2'1	151.3°	152.2°
O4'	C1'	C2'	H2'2	91.2°	86.9°
O4'	C1'	C8	H1'	123.8°	117.5°
O4'	C1'	C8	C6	40.0°	147.5°
O4'	C1'	C8	CD	139.5°	32.5°
C2'	C3'	O3'	H3'	124.2°	123.3°
C3'	C2'	C1'	H2'1	120.0°	122.4°
C3'	C2'	C1'	H2'2	122.4°	116.7°
C3'	C2'	H2'1	H2'2	122.7°	122.4°
C3'	C2'	C1'	C8	147.1°	153.3°
C3'	C2'	C1'	H1'	92.2°	85.9°
C2'	C3'	O3'	HO3'	57.7°	132.4°
O3'	C3'	C2'	C1'	82.0°	83.4°
O3'	C3'	C2'	H2'1	38.0°	37.5°
O3'	C3'	C2'	H2'2	155.6°	159.2°
H3'	C3'	C2'	C1'	155.4°	156.8°
H3'	C3'	C2'	H2'1	84.6°	82.3°
H3'	C3'	C2'	H2'2	33.0°	39.4°
H3'	C3'	O3'	HO3'	178.1°	9.1°
C1'	C2'	H2'1	H2'2	122.7°	122.1°
C2'	C1'	C8	H1'	122.6°	122.1°
C2'	C1'	C8	C6	153.6°	92.1°
C2'	C1'	C8	CD	25.9°	87.9°
H2'1	C2'	C1'	C8	92.9°	84.2°
H2'1	C2'	C1'	H1'	27.8°	36.5°
H2'2	C2'	C1'	C8	24.7°	36.6°
H2'2	C2'	C1'	H1'	145.3°	157.3°
C1'	C8	C6	C5	179.4°	180.0°
C1'	C8	C6	N	0.6°	0.0°
C1'	C8	C6	CD	179.5°	180.0°
C1'	C8	CD	C7	179.6°	179.9°
C1'	C8	CD	HD	0.5°	0.0°
H1'	C1'	C8	C6	83.8°	30.0°
H1'	C1'	C8	CD	96.7°	150.0°
N3	C2	O2	N	179.9°	179.8°
C2	N3	C4	HN3	180.0°	179.9°
C2	N3	C4	O4	179.7°	179.9°
C2	N3	C4	C5	0.1°	0.1°
N3	C2	N	C6	0.0°	0.1°
N3	C2	N	HN	180.0°	180.0°
O2	C2	N3	C4	180.0°	179.9°
O2	C2	N3	HN3	0.0°	0.1°
O2	C2	N	C6	180.0°	179.9°
O2	C2	N	HN	0.0°	0.1°
N	C2	N3	C4	0.1°	0.1°
N	C2	N3	HN3	179.9°	180.0°
C2	N	C6	C5	0.0°	0.0°
C2	N	C6	HN	180.0°	180.0°
C2	N	C6	C8	179.9°	180.0°
N3	C4	O4	C5	179.7°	179.8°
N3	C4	C5	CP	179.9°	180.0°
N3	C4	C5	C6	0.0°	0.1°
HN3	N3	C4	O4	0.3°	0.1°
HN3	N3	C4	C5	179.9°	180.0°
O4	C4	C5	CP	0.1°	0.2°
O4	C4	C5	C6	179.7°	179.9°
C4	C5	CP	C6	179.8°	179.9°
C4	C5	C6	N	0.0°	0.1°
C4	C5	C6	C8	179.9°	179.9°
C4	C5	CP	C7	180.0°	179.9°
C4	C5	CP	HP	0.1°	0.0°
CP	C5	C6	N	179.8°	180.0°
CP	C5	C6	C8	0.3°	0.0°
C5	CP	C7	HP	180.0°	180.0°
C5	CP	C7	CD	0.1°	0.0°
C5	CP	C7	C7A	180.0°	179.9°
C5	C6	N	C8	179.9°	180.0°
C5	C6	N	HN	180.0°	180.0°
C6	C5	CP	C7	0.1°	0.0°
C6	C5	CP	HP	179.9°	179.9°
C5	C6	C8	CD	0.1°	0.0°
N	C6	C8	CD	179.9°	180.0°
C8	C6	N	HN	0.1°	0.0°
C6	C8	CD	C7	0.1°	0.0°
C6	C8	CD	HD	180.0°	180.0°
CP	C7	CD	C7A	180.0°	180.0°
CP	C7	CD	C8	0.2°	0.0°
CP	C7	CD	HD	179.8°	180.0°
CP	C7	C7A	H7A1	168.2°	63.1°
CP	C7	C7A	H7A2	48.2°	176.4°
CP	C7	C7A	H7A3	71.8°	57.4°
HP	CP	C7	CD	179.9°	180.0°
HP	CP	C7	C7A	0.1°	0.1°
C7	CD	C8	HD	180.0°	180.0°
CD	C7	C7A	H7A1	11.8°	117.0°
CD	C7	C7A	H7A2	131.8°	3.6°
CD	C7	C7A	H7A3	108.2°	122.6°
C8	CD	C7	C7A	179.8°	180.0°
HD	CD	C7	C7A	0.1°	0.1°
C7	C7A	H7A1	H7A2	120.0°	122.2°
C7	C7A	H7A1	H7A3	120.0°	122.1°
C7	C7A	H7A2	H7A3	120.0°	121.6°
H7A1	C7A	H7A2	H7A3	120.0°	116.8°

Definition date:	2006-09-26
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	2ICZ