A2P

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
P1	O1P	doub	1.48Å	1.52Å
P1	O2P	sing	1.61Å	1.52Å
P1	O3P	sing	1.61Å	1.52Å
P1	O2'	sing	1.61Å	1.63Å
O2P	HOP2	sing	0.97Å	0.95Å
O3P	HOP3	sing	0.97Å	0.95Å
P2	O4P	doub	1.48Å	1.53Å
P2	O5P	sing	1.61Å	1.53Å
P2	O6P	sing	1.61Å	1.53Å
P2	O5'	sing	1.61Å	1.63Å
O5P	HOP5	sing	0.97Å	0.95Å
O6P	HOP6	sing	0.97Å	0.95Å
O5'	C5'	sing	1.43Å	1.44Å
C5'	C4'	sing	1.53Å	1.51Å
C5'	H5'1	sing	1.09Å	1.12Å
C5'	H5'2	sing	1.09Å	1.11Å
C4'	O4'	sing	1.44Å	1.46Å
C4'	C3'	sing	1.54Å	1.52Å
C4'	H4'	sing	1.09Å	1.12Å
O4'	C1'	sing	1.44Å	1.42Å
C3'	O3'	sing	1.43Å	1.42Å
C3'	C2'	sing	1.55Å	1.53Å
C3'	H3'	sing	1.09Å	1.12Å
O3'	HO3'	sing	0.97Å	0.95Å
C2'	O2'	sing	1.43Å	1.42Å
C2'	C1'	sing	1.54Å	1.53Å
C2'	H2'	sing	1.09Å	1.12Å
C1'	N9	sing	1.47Å	1.47Å
C1'	H1'	sing	1.09Å	1.11Å
N9	C8	sing	1.36Å	1.38Å	Aromatic
N9	C4	sing	1.37Å	1.37Å	Aromatic
C8	N7	doub	1.30Å	1.31Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
N7	C5	sing	1.35Å	1.39Å	Aromatic
C5	C6	sing	1.41Å	1.43Å	Aromatic
C5	C4	doub	1.40Å	1.39Å	Aromatic
C6	N6	sing	1.38Å	1.34Å
C6	N1	doub	1.33Å	1.36Å	Aromatic
N6	HN61	sing	0.97Å	1.02Å
N6	HN62	sing	0.97Å	1.02Å
N1	C2	sing	1.32Å	1.35Å	Aromatic
C2	N3	doub	1.32Å	1.34Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
N3	C4	sing	1.33Å	1.35Å	Aromatic

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1P	P1	O2P	112.9°	109.4°
O1P	P1	O3P	113.0°	109.5°
O1P	P1	O2'	106.7°	109.5°
O2P	P1	O3P	113.2°	109.5°
O2P	P1	O2'	106.5°	109.5°
P1	O2P	HOP2	113.0°	106.8°
O3P	P1	O2'	103.7°	109.5°
P1	O3P	HOP3	113.0°	106.8°
P1	O2'	C2'	123.2°	106.8°
O4P	P2	O5P	112.6°	109.5°
O4P	P2	O6P	112.8°	109.4°
O4P	P2	O5'	105.9°	109.4°
O5P	P2	O6P	113.4°	109.5°
O5P	P2	O5'	105.1°	109.5°
P2	O5P	HOP5	112.6°	106.8°
O6P	P2	O5'	106.2°	109.5°
P2	O6P	HOP6	112.9°	106.8°
P2	O5'	C5'	121.2°	106.8°
O5'	C5'	C4'	109.8°	109.5°
O5'	C5'	H5'1	112.1°	109.4°
O5'	C5'	H5'2	112.1°	109.4°
C4'	C5'	H5'1	112.1°	109.5°
C4'	C5'	H5'2	112.1°	109.4°
C5'	C4'	O4'	109.1°	110.4°
C5'	C4'	C3'	114.4°	110.5°
C5'	C4'	H4'	105.0°	110.3°
H5'1	C5'	H5'2	98.3°	109.5°
O4'	C4'	C3'	104.7°	104.8°
O4'	C4'	H4'	114.6°	110.3°
C4'	O4'	C1'	109.8°	105.3°
C3'	C4'	H4'	109.3°	110.4°
C4'	C3'	O3'	107.8°	110.6°
C4'	C3'	C2'	101.7°	104.1°
C4'	C3'	H3'	115.9°	110.5°
O4'	C1'	C2'	106.2°	104.9°
O4'	C1'	N9	107.7°	110.4°
O4'	C1'	H1'	114.9°	110.4°
O3'	C3'	C2'	111.1°	110.5°
O3'	C3'	H3'	107.3°	110.4°
C3'	O3'	HO3'	107.8°	106.8°
C2'	C3'	H3'	112.9°	110.6°
C3'	C2'	O2'	112.0°	110.5°
C3'	C2'	C1'	100.9°	104.0°
C3'	C2'	H2'	115.3°	110.5°
O2'	C2'	C1'	114.8°	110.8°
O2'	C2'	H2'	101.7°	110.4°
C1'	C2'	H2'	112.7°	110.4°
C2'	C1'	N9	115.1°	110.4°
C2'	C1'	H1'	107.4°	110.4°
N9	C1'	H1'	105.9°	110.3°
C1'	N9	C8	128.9°	126.3°
C1'	N9	C4	125.2°	126.3°
C8	N9	C4	105.9°	107.4°
N9	C8	N7	113.7°	110.0°
N9	C8	H8	125.3°	125.0°
N9	C4	C5	105.9°	106.0°
N9	C4	N3	127.2°	134.9°
N7	C8	H8	121.0°	125.0°
C8	N7	C5	103.9°	109.4°
N7	C5	C6	132.8°	134.7°
N7	C5	C4	110.7°	107.1°
C6	C5	C4	116.5°	118.2°
C5	C6	N6	123.9°	120.8°
C5	C6	N1	117.8°	118.4°
C5	C4	N3	126.9°	119.0°
N6	C6	N1	118.3°	120.8°
C6	N6	HN61	123.9°	120.0°
C6	N6	HN62	107.1°	120.0°
C6	N1	C2	118.7°	121.2°
HN61	N6	HN62	107.2°	120.0°
N1	C2	N3	128.9°	122.5°
N1	C2	H2	115.9°	118.7°
N3	C2	H2	115.2°	118.8°
C2	N3	C4	111.2°	120.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1P	P1	O2P	O3P	130.0°	120.0°
O1P	P1	O2P	O2'	116.7°	120.0°
O1P	P1	O3P	O2'	115.1°	120.0°
O1P	P1	O2P	HOP2	180.0°	60.0°
O1P	P1	O3P	HOP3	179.9°	180.0°
O1P	P1	O2'	C2'	65.6°	60.1°
O2P	P1	O3P	O2'	114.9°	120.0°
O2P	P1	O3P	HOP3	50.0°	60.0°
O2P	P1	O2'	C2'	55.2°	180.0°
O3P	P1	O2P	HOP2	50.0°	60.0°
O3P	P1	O2'	C2'	174.9°	60.0°
O2'	P1	O2P	HOP2	63.3°	180.0°
O2'	P1	O3P	HOP3	65.0°	60.0°
P1	O2'	C2'	C3'	118.4°	121.5°
P1	O2'	C2'	C1'	127.3°	123.8°
P1	O2'	C2'	H2'	5.3°	1.1°
O4P	P2	O5P	O6P	129.6°	119.9°
O4P	P2	O5P	O5'	114.8°	120.0°
O4P	P2	O6P	O5'	115.6°	119.9°
O4P	P2	O5P	HOP5	180.0°	60.1°
O4P	P2	O6P	HOP6	180.0°	180.0°
O4P	P2	O5'	C5'	165.9°	60.0°
O5P	P2	O6P	O5'	114.9°	120.1°
O5P	P2	O6P	HOP6	50.5°	60.1°
O5P	P2	O5'	C5'	74.7°	179.9°
O6P	P2	O5P	HOP5	50.3°	59.9°
O6P	P2	O5'	C5'	45.8°	60.0°
O5'	P2	O5P	HOP5	65.2°	180.0°
O5'	P2	O6P	HOP6	64.4°	60.0°
P2	O5'	C5'	C4'	168.4°	180.0°
P2	O5'	C5'	H5'1	43.1°	59.9°
P2	O5'	C5'	H5'2	66.3°	60.0°
O5'	C5'	C4'	H5'1	125.3°	120.0°
O5'	C5'	C4'	H5'2	125.3°	120.0°
O5'	C5'	H5'1	H5'2	117.9°	119.9°
O5'	C5'	C4'	O4'	58.2°	61.4°
O5'	C5'	C4'	C3'	58.7°	176.9°
O5'	C5'	C4'	H4'	178.6°	60.8°
C4'	C5'	H5'1	H5'2	118.0°	120.0°
C5'	C4'	O4'	C3'	122.9°	119.0°
C5'	C4'	O4'	H4'	117.3°	122.2°
C5'	C4'	C3'	H4'	117.4°	122.3°
C5'	C4'	O4'	C1'	108.7°	159.5°
C5'	C4'	C3'	O3'	157.7°	98.3°
C5'	C4'	C3'	C2'	85.4°	143.0°
C5'	C4'	C3'	H3'	37.5°	24.2°
H5'1	C5'	C4'	O4'	176.6°	178.5°
H5'1	C5'	C4'	C3'	66.5°	63.1°
H5'1	C5'	C4'	H4'	53.3°	59.3°
H5'2	C5'	C4'	O4'	67.1°	58.5°
H5'2	C5'	C4'	C3'	176.0°	56.9°
H5'2	C5'	C4'	H4'	56.1°	179.3°
O4'	C4'	C3'	H4'	123.3°	118.8°
O4'	C4'	C3'	O3'	82.9°	142.7°
O4'	C4'	C3'	C2'	34.0°	24.0°
O4'	C4'	C3'	H3'	156.9°	94.7°
C4'	O4'	C1'	C2'	11.9°	40.4°
C4'	O4'	C1'	N9	135.6°	159.3°
C4'	O4'	C1'	H1'	106.6°	78.5°
C3'	C4'	O4'	C1'	14.1°	40.5°
C4'	C3'	O3'	C2'	110.6°	114.7°
C4'	C3'	O3'	H3'	125.5°	122.6°
C4'	C3'	C2'	H3'	124.9°	118.7°
C4'	C3'	O3'	HO3'	180.0°	61.4°
C4'	C3'	C2'	O2'	162.5°	118.8°
C4'	C3'	C2'	C1'	39.9°	0.1°
C4'	C3'	C2'	H2'	81.8°	118.6°
H4'	C4'	O4'	C1'	133.9°	78.3°
H4'	C4'	C3'	O3'	40.3°	24.0°
H4'	C4'	C3'	C2'	157.3°	94.7°
H4'	C4'	C3'	H3'	79.9°	146.5°
O4'	C1'	C2'	C3'	32.6°	23.8°
O4'	C1'	C2'	O2'	153.3°	142.6°
O4'	C1'	C2'	N9	119.0°	118.9°
O4'	C1'	C2'	H1'	123.3°	118.9°
O4'	C1'	C2'	H2'	90.9°	94.7°
O4'	C1'	N9	H1'	123.4°	122.2°
O4'	C1'	N9	C8	88.2°	27.0°
O4'	C1'	N9	C4	90.7°	152.9°
O3'	C3'	C2'	H3'	120.6°	122.6°
O3'	C3'	C2'	O2'	48.0°	0.1°
O3'	C3'	C2'	C1'	74.6°	118.9°
O3'	C3'	C2'	H2'	163.7°	122.6°
C2'	C3'	O3'	HO3'	69.4°	176.1°
C3'	C2'	O2'	C1'	114.3°	114.7°
C3'	C2'	O2'	H2'	123.7°	122.6°
C3'	C2'	C1'	H2'	123.6°	118.6°
C3'	C2'	C1'	N9	151.6°	142.7°
C3'	C2'	C1'	H1'	90.7°	95.1°
H3'	C3'	O3'	HO3'	54.5°	61.2°
H3'	C3'	C2'	O2'	72.6°	122.5°
H3'	C3'	C2'	C1'	164.8°	118.6°
H3'	C3'	C2'	H2'	43.1°	0.1°
O2'	C2'	C1'	H2'	115.8°	122.7°
O2'	C2'	C1'	N9	87.7°	98.5°
O2'	C2'	C1'	H1'	29.9°	23.7°
C2'	C1'	N9	H1'	118.5°	122.3°
C2'	C1'	N9	C8	30.0°	88.5°
C2'	C1'	N9	C4	151.1°	91.6°
H2'	C2'	C1'	N9	28.1°	24.2°
H2'	C2'	C1'	H1'	145.7°	146.4°
C1'	N9	C8	C4	179.0°	179.9°
C1'	N9	C8	N7	178.2°	180.0°
C1'	N9	C8	H8	1.7°	0.1°
C1'	N9	C4	C5	178.2°	179.8°
C1'	N9	C4	N3	1.5°	0.1°
H1'	C1'	N9	C8	148.5°	149.2°
H1'	C1'	N9	C4	32.7°	30.7°
N9	C8	N7	H8	180.0°	180.0°
N9	C8	N7	C5	0.3°	0.2°
C8	N9	C4	C5	0.9°	0.3°
C8	N9	C4	N3	179.4°	180.0°
C4	N9	C8	N7	0.8°	0.1°
C4	N9	C8	H8	179.2°	180.0°
N9	C4	C5	N7	0.8°	0.4°
N9	C4	C5	C6	179.4°	179.7°
N9	C4	C5	N3	179.7°	179.8°
N9	C4	N3	C2	179.6°	180.0°
C8	N7	C5	C6	179.9°	179.5°
C8	N7	C5	C4	0.3°	0.4°
H8	C8	N7	C5	179.7°	179.8°
N7	C5	C6	C4	179.7°	179.0°
N7	C5	C6	N6	0.7°	0.7°
N7	C5	C6	N1	179.5°	179.6°
N7	C5	C4	N3	179.5°	179.8°
C5	C6	N6	N1	179.8°	179.7°
C5	C6	N6	HN61	180.0°	179.7°
C5	C6	N6	HN62	54.7°	0.5°
C5	C6	N1	C2	0.1°	0.3°
C6	C5	C4	N3	0.3°	0.6°
C4	C5	C6	N6	179.5°	179.7°
C4	C5	C6	N1	0.2°	0.6°
C5	C4	N3	C2	0.0°	0.3°
C6	N6	HN61	HN62	125.3°	179.8°
N6	C6	N1	C2	179.8°	180.0°
N1	C6	N6	HN61	0.2°	0.0°
N1	C6	N6	HN62	125.6°	179.8°
C6	N1	C2	N3	0.4°	0.0°
C6	N1	C2	H2	179.6°	180.0°
N1	C2	N3	H2	180.0°	180.0°
N1	C2	N3	C4	0.3°	0.0°
H2	C2	N3	C4	179.7°	180.0°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1HI3