SUR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
P	OP1	sing	1.62Å	1.49Å
P	OP2	doub	1.50Å	1.49Å
P	OP3	sing	1.62Å	1.60Å
P	O5'	sing	1.62Å	1.60Å
OP1	HOP1	sing	0.98Å	0.95Å
OP3	HOP3	sing	0.98Å	0.95Å
O5'	C5'	sing	1.42Å	1.43Å
C5'	C4'	sing	1.52Å	1.51Å
C5'	H5'1	sing	1.09Å	1.11Å
C5'	H5'2	sing	1.09Å	1.12Å
C4'	O4'	sing	1.44Å	1.46Å
C4'	C3'	sing	1.52Å	1.53Å
C4'	H4'	sing	1.09Å	1.12Å
O4'	C1'	sing	1.44Å	1.42Å
C3'	C2'	sing	1.51Å	1.53Å
C3'	O3'	sing	1.43Å	1.43Å
C3'	H3'	sing	1.09Å	1.11Å
C1'	N1	sing	1.43Å	1.47Å
C1'	C2'	sing	1.52Å	1.53Å
C1'	H1'	sing	1.09Å	1.12Å
N1	C6	sing	1.40Å	1.39Å
N1	C2	sing	1.42Å	1.37Å
C2'	O2'	sing	1.41Å	1.41Å
C2'	H2'	sing	1.10Å	1.11Å
C6	C5	doub	1.33Å	1.34Å
C6	HC6	sing	1.09Å	1.10Å
C2	S2	doub	1.68Å	1.68Å
C2	N3	sing	1.40Å	1.36Å
C5	C4	sing	1.47Å	1.44Å
C5	HC5	sing	1.08Å	1.10Å
N3	C4	sing	1.38Å	1.39Å
N3	HN3	sing	1.02Å	1.02Å
C4	O4	doub	1.23Å	1.23Å
O2'	HO2	sing	0.97Å	0.95Å
O3'	HO3	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OP1	P	OP2	119.6°	115.3°
OP1	P	OP3	107.6°	103.3°
OP1	P	O5'	109.0°	103.8°
P	OP1	HOP1	119.5°	119.0°
OP2	P	OP3	107.5°	114.9°
OP2	P	O5'	108.5°	115.0°
OP3	P	O5'	103.4°	102.9°
P	OP3	HOP3	109.5°	119.0°
P	O5'	C5'	119.8°	118.5°
O5'	C5'	C4'	111.3°	108.6°
O5'	C5'	H5'1	111.6°	109.2°
O5'	C5'	H5'2	111.6°	109.3°
C4'	C5'	H5'1	111.5°	110.1°
C4'	C5'	H5'2	111.5°	110.1°
C5'	C4'	O4'	107.7°	108.2°
C5'	C4'	C3'	116.9°	113.3°
C5'	C4'	H4'	104.4°	109.3°
H5'1	C5'	H5'2	98.8°	109.6°
O4'	C4'	C3'	105.4°	105.9°
O4'	C4'	H4'	116.1°	107.7°
C4'	O4'	C1'	109.6°	109.2°
C3'	C4'	H4'	106.8°	112.2°
C4'	C3'	C2'	102.2°	102.1°
C4'	C3'	O3'	106.8°	107.9°
C4'	C3'	H3'	115.4°	114.5°
O4'	C1'	N1	108.4°	109.0°
O4'	C1'	C2'	106.1°	106.5°
O4'	C1'	H1'	115.8°	108.9°
C2'	C3'	O3'	108.5°	110.3°
C2'	C3'	H3'	113.8°	114.0°
C3'	C2'	C1'	100.4°	102.0°
C3'	C2'	O2'	113.1°	112.3°
C3'	C2'	H2'	113.6°	110.1°
O3'	C3'	H3'	109.7°	107.8°
C3'	O3'	HO3	106.9°	106.4°
N1	C1'	C2'	117.9°	112.5°
N1	C1'	H1'	103.4°	107.3°
C1'	N1	C6	122.8°	116.8°
C1'	N1	C2	116.6°	125.1°
C2'	C1'	H1'	105.8°	112.6°
C1'	C2'	O2'	110.9°	112.6°
C1'	C2'	H2'	115.7°	111.1°
C6	N1	C2	120.6°	118.1°
N1	C6	C5	122.5°	125.1°
N1	C6	HC6	120.5°	114.9°
N1	C2	S2	122.9°	125.9°
N1	C2	N3	116.3°	116.2°
O2'	C2'	H2'	103.5°	108.6°
C2'	O2'	HO2	113.2°	107.1°
C5	C6	HC6	117.0°	120.0°
C6	C5	C4	119.6°	119.3°
C6	C5	HC5	116.7°	121.9°
S2	C2	N3	120.7°	117.9°
C2	N3	C4	126.5°	126.9°
C2	N3	HN3	115.6°	116.5°
C4	C5	HC5	123.6°	118.8°
C5	C4	N3	114.4°	114.5°
C5	C4	O4	126.4°	120.9°
C4	N3	HN3	117.9°	116.6°
N3	C4	O4	119.1°	124.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OP1	P	OP2	OP3	122.9°	120.0°
OP1	P	OP2	O5'	125.9°	120.7°
OP1	P	OP3	O5'	115.3°	107.7°
OP1	P	OP3	HOP3	163.0°	78.5°
OP1	P	O5'	C5'	155.4°	53.2°
OP2	P	OP3	O5'	114.7°	125.8°
OP2	P	OP1	HOP1	180.0°	48.7°
OP2	P	OP3	HOP3	67.0°	48.0°
OP2	P	O5'	C5'	72.8°	179.9°
OP3	P	OP1	HOP1	57.1°	77.5°
OP3	P	O5'	C5'	41.2°	54.2°
O5'	P	OP1	HOP1	54.4°	175.4°
O5'	P	OP3	HOP3	47.7°	173.8°
P	O5'	C5'	C4'	177.5°	180.0°
P	O5'	C5'	H5'1	52.2°	59.9°
P	O5'	C5'	H5'2	57.3°	59.9°
O5'	C5'	C4'	H5'1	125.3°	119.5°
O5'	C5'	C4'	H5'2	125.3°	119.6°
O5'	C5'	H5'1	H5'2	117.5°	119.6°
O5'	C5'	C4'	O4'	179.3°	62.4°
O5'	C5'	C4'	C3'	62.3°	179.5°
O5'	C5'	C4'	H4'	55.4°	54.6°
C4'	C5'	H5'1	H5'2	117.3°	121.2°
C5'	C4'	O4'	C3'	125.5°	121.7°
C5'	C4'	O4'	H4'	116.6°	118.1°
C5'	C4'	C3'	H4'	116.4°	124.4°
C5'	C4'	O4'	C1'	119.4°	109.0°
C5'	C4'	C3'	C2'	90.8°	86.9°
C5'	C4'	C3'	O3'	155.3°	156.8°
C5'	C4'	C3'	H3'	33.2°	36.8°
H5'1	C5'	C4'	O4'	54.0°	57.1°
H5'1	C5'	C4'	C3'	172.3°	60.0°
H5'1	C5'	C4'	H4'	70.0°	174.1°
H5'2	C5'	C4'	O4'	55.4°	178.0°
H5'2	C5'	C4'	C3'	63.0°	60.9°
H5'2	C5'	C4'	H4'	179.4°	65.0°
O4'	C4'	C3'	H4'	124.0°	117.2°
O4'	C4'	C3'	C2'	28.8°	31.5°
O4'	C4'	C3'	O3'	85.0°	84.7°
O4'	C4'	C3'	H3'	152.8°	155.2°
C4'	O4'	C1'	N1	146.9°	132.9°
C4'	O4'	C1'	C2'	19.4°	11.3°
C4'	O4'	C1'	H1'	97.6°	110.3°
C3'	C4'	O4'	C1'	6.1°	12.8°
C4'	C3'	C2'	O3'	112.6°	114.5°
C4'	C3'	C2'	H3'	125.0°	124.0°
C4'	C3'	O3'	H3'	125.7°	124.2°
C4'	C3'	C2'	C1'	38.9°	37.1°
C4'	C3'	C2'	O2'	157.0°	158.0°
C4'	C3'	C2'	H2'	85.3°	80.9°
C4'	C3'	O3'	HO3	179.9°	15.2°
H4'	C4'	O4'	C1'	124.0°	133.0°
H4'	C4'	C3'	C2'	152.8°	148.7°
H4'	C4'	C3'	O3'	38.9°	32.5°
H4'	C4'	C3'	H3'	83.2°	87.6°
O4'	C1'	C2'	C3'	36.6°	30.7°
O4'	C1'	N1	C2'	120.4°	117.9°
O4'	C1'	N1	H1'	123.4°	117.7°
O4'	C1'	C2'	H1'	123.5°	119.3°
O4'	C1'	N1	C6	87.8°	32.3°
O4'	C1'	N1	C2	91.7°	147.6°
O4'	C1'	C2'	O2'	156.4°	151.3°
O4'	C1'	C2'	H2'	86.1°	86.6°
C2'	C3'	O3'	H3'	124.8°	125.1°
C3'	C2'	C1'	N1	158.2°	150.0°
C3'	C2'	C1'	O2'	119.8°	120.6°
C3'	C2'	C1'	H2'	122.7°	117.3°
C3'	C2'	C1'	H1'	86.9°	88.5°
C3'	C2'	O2'	H2'	123.4°	122.0°
C3'	C2'	O2'	HO2	179.9°	168.8°
C2'	C3'	O3'	HO3	70.4°	95.6°
O3'	C3'	C2'	C1'	73.8°	77.4°
O3'	C3'	C2'	O2'	44.4°	43.5°
O3'	C3'	C2'	H2'	162.1°	164.6°
H3'	C3'	C2'	C1'	163.9°	161.1°
H3'	C3'	C2'	O2'	77.9°	78.0°
H3'	C3'	C2'	H2'	39.8°	43.1°
H3'	C3'	O3'	HO3	54.4°	139.4°
N1	C1'	C2'	H1'	114.9°	121.4°
C1'	N1	C6	C2	179.5°	179.9°
N1	C1'	C2'	O2'	82.0°	89.4°
N1	C1'	C2'	H2'	35.5°	32.7°
C1'	N1	C6	C5	179.4°	179.9°
C1'	N1	C6	HC6	0.6°	0.0°
C1'	N1	C2	S2	0.3°	0.1°
C1'	N1	C2	N3	179.5°	180.0°
C2'	C1'	N1	C6	32.6°	85.6°
C2'	C1'	N1	C2	147.9°	94.5°
C1'	C2'	O2'	H2'	124.7°	123.5°
C1'	C2'	O2'	HO2	68.1°	54.3°
H1'	C1'	N1	C6	148.8°	150.0°
H1'	C1'	N1	C2	31.7°	29.9°
H1'	C1'	C2'	O2'	32.9°	32.1°
H1'	C1'	C2'	H2'	150.4°	154.2°
N1	C6	C5	HC6	180.0°	180.0°
C6	N1	C2	S2	179.8°	179.9°
C6	N1	C2	N3	0.0°	0.1°
N1	C6	C5	C4	0.2°	0.0°
N1	C6	C5	HC5	179.8°	180.0°
C2	N1	C6	C5	0.1°	0.1°
C2	N1	C6	HC6	179.9°	179.9°
N1	C2	S2	N3	179.8°	180.0°
N1	C2	N3	C4	0.0°	0.1°
N1	C2	N3	HN3	180.0°	180.0°
H2'	C2'	O2'	HO2	56.6°	69.2°
C6	C5	C4	HC5	180.0°	180.0°
C6	C5	C4	N3	0.2°	0.0°
C6	C5	C4	O4	178.0°	180.0°
HC6	C6	C5	C4	179.8°	180.0°
HC6	C6	C5	HC5	0.2°	0.1°
S2	C2	N3	C4	179.9°	180.0°
S2	C2	N3	HN3	0.1°	0.0°
C2	N3	C4	C5	0.2°	0.0°
C2	N3	C4	HN3	180.0°	180.0°
C2	N3	C4	O4	178.2°	180.0°
C5	C4	N3	O4	178.4°	180.0°
C5	C4	N3	HN3	179.9°	180.0°
HC5	C5	C4	N3	179.8°	180.0°
HC5	C5	C4	O4	2.0°	0.0°
HN3	N3	C4	O4	1.7°	0.0°

Definition date:	2000-11-21
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI