TPC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S5'	C5'	sing	1.81Å	1.83Å
S5'	P	sing	2.09Å	42.86Å
N1	C6	sing	1.39Å	1.37Å
N1	C2	sing	1.42Å	1.40Å
N1	C1'	sing	1.43Å	1.47Å
C6	C5	doub	1.33Å	1.34Å
C6	H6	sing	1.09Å	1.08Å
C2	O2	doub	1.23Å	1.24Å
C2	N3	sing	1.38Å	1.35Å
N3	C4	doub	1.31Å	1.34Å
C4	N4	sing	1.38Å	1.34Å
C4	C5	sing	1.49Å	1.42Å
N4	HN41	sing	0.99Å	1.00Å
N4	HN42	sing	0.99Å	1.00Å
C5	H5	sing	1.08Å	1.08Å
C2'	C1'	sing	1.52Å	1.53Å
C2'	C3'	sing	1.51Å	1.52Å
C2'	H2'1	sing	1.10Å	1.10Å
C2'	H2'2	sing	1.09Å	1.10Å
C5'	C4'	sing	1.52Å	1.52Å
C5'	H5'1	sing	1.09Å	1.10Å
C5'	H5'2	sing	1.09Å	1.10Å
C4'	O4'	sing	1.44Å	1.45Å
C4'	C3'	sing	1.52Å	1.54Å
C4'	H4'	sing	1.09Å	1.10Å
O4'	C1'	sing	1.43Å	1.43Å
C1'	H1'	sing	1.10Å	1.10Å
C3'	O3'	sing	1.43Å	1.45Å
C3'	H1	sing	1.09Å	1.10Å
O3'	H3'	sing	0.97Å	0.95Å
P	OP1	doub	1.50Å	0.00Å
P	OP2	sing	1.62Å	0.00Å
P	OP3	sing	1.62Å	0.00Å
OP2	HO2P	sing	0.98Å	0.00Å
OP3	HO3P	sing	0.98Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5'	S5'	P	35.8°	105.1°
S5'	C5'	C4'	112.1°	110.5°
S5'	C5'	H5'1	108.6°	108.9°
S5'	C5'	H5'2	108.0°	108.8°
S5'	P	OP1	90.0°	111.4°
S5'	P	OP2	90.0°	109.3°
S5'	P	OP3	90.0°	108.8°
C6	N1	C2	120.0°	119.4°
C6	N1	C1'	120.5°	118.6°
N1	C6	C5	121.2°	122.7°
N1	C6	H6	119.4°	116.2°
C2	N1	C1'	119.5°	122.0°
N1	C2	O2	119.2°	121.0°
N1	C2	N3	119.2°	118.8°
N1	C1'	C2'	114.4°	112.8°
N1	C1'	O4'	106.8°	109.3°
N1	C1'	H1'	107.2°	107.8°
C5	C6	H6	119.4°	121.1°
C6	C5	C4	117.5°	116.3°
C6	C5	H5	121.3°	123.1°
O2	C2	N3	121.6°	120.2°
C2	N3	C4	119.9°	121.1°
N3	C4	N4	118.4°	120.2°
N3	C4	C5	121.9°	121.7°
N4	C4	C5	119.7°	118.2°
C4	N4	HN41	110.2°	118.0°
C4	N4	HN42	124.9°	118.0°
C4	C5	H5	121.2°	120.6°
HN41	N4	HN42	124.9°	123.9°
C1'	C2'	C3'	103.8°	102.5°
C1'	C2'	H2'1	111.4°	110.6°
C1'	C2'	H2'2	112.6°	111.7°
C2'	C1'	O4'	106.7°	107.4°
C2'	C1'	H1'	107.2°	111.5°
C3'	C2'	H2'1	111.4°	109.7°
C3'	C2'	H2'2	112.6°	114.1°
C2'	C3'	C4'	102.7°	103.1°
C2'	C3'	O3'	110.4°	109.7°
C2'	C3'	H1	112.6°	113.2°
H2'1	C2'	H2'2	105.2°	108.3°
C4'	C5'	H5'1	108.6°	110.2°
C4'	C5'	H5'2	108.0°	110.1°
C5'	C4'	O4'	107.9°	107.9°
C5'	C4'	C3'	121.4°	112.9°
C5'	C4'	H4'	100.8°	109.5°
H5'1	C5'	H5'2	111.6°	108.1°
O4'	C4'	C3'	104.9°	106.2°
O4'	C4'	H4'	118.6°	107.9°
C4'	O4'	C1'	111.2°	109.3°
C3'	C4'	H4'	104.1°	112.2°
C4'	C3'	O3'	107.6°	109.9°
C4'	C3'	H1	115.2°	113.5°
O4'	C1'	H1'	114.8°	108.0°
O3'	C3'	H1	108.1°	107.4°
C3'	O3'	H3'	109.5°	107.3°
OP1	P	OP2	90.0°	112.7°
OP1	P	OP3	90.0°	112.7°
OP2	P	OP3	90.0°	101.5°
P	OP2	HO2P	90.0°	118.7°
P	OP3	HO3P	90.0°	118.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S5'	C5'	C4'	H5'1	120.0°	120.4°
S5'	C5'	C4'	H5'2	118.8°	120.3°
S5'	C5'	H5'1	H5'2	118.9°	118.1°
S5'	C5'	C4'	O4'	156.2°	63.3°
S5'	C5'	C4'	C3'	35.4°	179.6°
S5'	C5'	C4'	H4'	78.7°	53.9°
C5'	S5'	P	OP1	90.0°	60.0°
C5'	S5'	P	OP2	90.0°	174.8°
C5'	S5'	P	OP3	90.0°	64.8°
P	S5'	C5'	C4'	7.2°	180.0°
P	S5'	C5'	H5'1	127.2°	58.8°
P	S5'	C5'	H5'2	111.7°	58.9°
S5'	P	OP1	OP2	90.0°	123.2°
S5'	P	OP1	OP3	90.0°	122.6°
S5'	P	OP2	OP3	90.0°	114.8°
S5'	P	OP2	HO2P	90.0°	172.5°
S5'	P	OP3	HO3P	90.0°	172.1°
C6	N1	C2	C1'	179.0°	180.0°
N1	C6	C5	H6	180.0°	180.0°
C6	N1	C2	O2	172.5°	180.0°
C6	N1	C2	N3	6.8°	0.0°
N1	C6	C5	C4	0.5°	0.0°
N1	C6	C5	H5	179.5°	179.9°
C6	N1	C1'	C2'	98.4°	86.5°
C6	N1	C1'	O4'	19.4°	32.9°
C6	N1	C1'	H1'	142.9°	150.0°
C2	N1	C6	C5	4.2°	0.0°
C2	N1	C6	H6	175.8°	180.0°
N1	C2	O2	N3	179.2°	180.0°
N1	C2	N3	C4	4.5°	0.0°
C2	N1	C1'	C2'	82.6°	93.5°
C2	N1	C1'	O4'	159.6°	147.1°
C2	N1	C1'	H1'	36.2°	30.0°
C1'	N1	C6	C5	174.8°	180.0°
C1'	N1	C6	H6	5.2°	0.0°
C1'	N1	C2	O2	8.5°	0.0°
C1'	N1	C2	N3	172.3°	180.0°
N1	C1'	C2'	O4'	117.8°	120.5°
N1	C1'	C2'	H1'	118.7°	121.4°
N1	C1'	C2'	C3'	139.3°	147.4°
N1	C1'	C2'	H2'1	100.7°	30.6°
N1	C1'	C2'	H2'2	17.3°	90.1°
N1	C1'	O4'	C4'	124.8°	131.7°
N1	C1'	O4'	H1'	118.6°	117.0°
C6	C5	C4	N3	2.8°	0.0°
C6	C5	C4	N4	177.0°	180.0°
C6	C5	C4	H5	180.0°	179.9°
H6	C6	C5	C4	179.5°	180.0°
H6	C6	C5	H5	0.5°	0.0°
O2	C2	N3	C4	174.7°	180.0°
C2	N3	C4	N4	179.5°	180.0°
C2	N3	C4	C5	0.2°	0.0°
N3	C4	N4	C5	179.8°	180.0°
N3	C4	N4	HN41	180.0°	162.3°
N3	C4	N4	HN42	0.0°	17.6°
N3	C4	C5	H5	177.2°	179.9°
C4	N4	HN41	HN42	180.0°	179.9°
N4	C4	C5	H5	3.0°	0.1°
C5	C4	N4	HN41	0.2°	17.7°
C5	C4	N4	HN42	179.8°	162.4°
C1'	C2'	C3'	H2'1	120.0°	117.5°
C1'	C2'	C3'	H2'2	122.1°	120.8°
C1'	C2'	H2'1	H2'2	122.3°	122.7°
C2'	C1'	O4'	C4'	2.1°	9.0°
C1'	C2'	C3'	C4'	31.4°	33.4°
C2'	C1'	O4'	H1'	118.6°	120.3°
C1'	C2'	C3'	O3'	83.1°	83.6°
C1'	C2'	C3'	H1	155.9°	156.4°
C3'	C2'	H2'1	H2'2	122.2°	125.1°
C2'	C3'	C4'	C5'	91.8°	88.8°
C2'	C3'	C4'	O4'	30.6°	29.2°
C2'	C3'	C4'	O3'	116.6°	116.9°
C2'	C3'	C4'	H1	122.8°	122.8°
C2'	C3'	C4'	H4'	155.9°	146.9°
C3'	C2'	C1'	O4'	21.5°	26.9°
C3'	C2'	C1'	H1'	102.0°	91.2°
C2'	C3'	O3'	H1	123.6°	123.4°
C2'	C3'	O3'	H3'	128.5°	119.3°
H2'1	C2'	C3'	C4'	151.4°	84.1°
H2'1	C2'	C1'	O4'	141.5°	90.0°
H2'1	C2'	C1'	H1'	18.0°	151.9°
H2'1	C2'	C3'	O3'	36.9°	158.9°
H2'1	C2'	C3'	H1	84.1°	38.9°
H2'2	C2'	C3'	C4'	90.7°	154.3°
H2'2	C2'	C1'	O4'	100.6°	149.4°
H2'2	C2'	C1'	H1'	136.0°	31.3°
H2'2	C2'	C3'	O3'	154.8°	37.2°
H2'2	C2'	C3'	H1	33.8°	82.7°
C4'	C5'	H5'1	H5'2	118.9°	120.5°
C5'	C4'	O4'	C3'	130.7°	121.4°
C5'	C4'	O4'	H4'	113.6°	118.2°
C5'	C4'	C3'	H4'	112.4°	124.3°
C5'	C4'	O4'	C1'	112.6°	108.6°
C5'	C4'	C3'	O3'	151.7°	154.2°
C5'	C4'	C3'	H1	31.0°	34.0°
H5'1	C5'	C4'	O4'	83.8°	57.2°
H5'1	C5'	C4'	C3'	155.4°	60.0°
H5'1	C5'	C4'	H4'	41.3°	174.3°
H5'2	C5'	C4'	O4'	37.4°	176.4°
H5'2	C5'	C4'	C3'	83.5°	59.3°
H5'2	C5'	C4'	H4'	162.4°	66.5°
O4'	C4'	C3'	H4'	125.3°	117.6°
C4'	O4'	C1'	H1'	116.6°	111.3°
O4'	C4'	C3'	O3'	86.0°	87.7°
O4'	C4'	C3'	H1	153.4°	152.1°
C3'	C4'	O4'	C1'	18.2°	12.7°
C4'	C3'	O3'	H1	125.0°	123.9°
C4'	C3'	O3'	H3'	120.1°	128.0°
H4'	C4'	O4'	C1'	133.8°	133.2°
H4'	C4'	C3'	O3'	39.3°	29.9°
H4'	C4'	C3'	H1	81.3°	90.3°
H1	C3'	O3'	H3'	4.9°	4.1°
OP1	P	OP2	OP3	90.0°	120.8°
OP1	P	OP2	HO2P	90.0°	48.1°
OP1	P	OP3	HO3P	90.0°	48.1°
OP2	P	OP3	HO3P	90.0°	72.7°
OP3	P	OP2	HO2P	90.0°	72.7°

Definition date:	2004-10-06
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	1TL8