A3P

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
P1	O1P	doub	1.48Å	1.47Å
P1	O2P	sing	1.61Å	1.48Å
P1	O3P	sing	1.61Å	1.48Å
P1	O3'	sing	1.61Å	1.60Å
O2P	HOP2	sing	0.97Å	0.95Å
O3P	HOP3	sing	0.97Å	0.95Å
P2	O4P	doub	1.48Å	1.46Å
P2	O5P	sing	1.61Å	1.49Å
P2	O6P	sing	1.61Å	1.48Å
P2	O5'	sing	1.61Å	1.62Å
O5P	HOP5	sing	0.97Å	0.95Å
O6P	HOP6	sing	0.97Å	0.95Å
O5'	C5'	sing	1.43Å	1.43Å
C5'	C4'	sing	1.53Å	1.54Å
C5'	H5'1	sing	1.09Å	1.11Å
C5'	H5'2	sing	1.09Å	1.11Å
C4'	O4'	sing	1.44Å	1.47Å
C4'	C3'	sing	1.54Å	1.54Å
C4'	H4'	sing	1.09Å	1.11Å
O4'	C1'	sing	1.44Å	1.43Å
C3'	O3'	sing	1.43Å	1.46Å
C3'	C2'	sing	1.55Å	1.54Å
C3'	H3'	sing	1.09Å	1.11Å
C2'	O2'	sing	1.43Å	1.41Å
C2'	C1'	sing	1.54Å	1.53Å
C2'	H2'	sing	1.09Å	1.11Å
O2'	HO2'	sing	0.97Å	0.95Å
C1'	N9	sing	1.46Å	1.47Å
C1'	H1'	sing	1.09Å	1.12Å
N9	C8	sing	1.36Å	1.38Å	Aromatic
N9	C4	sing	1.37Å	1.39Å	Aromatic
C8	N7	doub	1.30Å	1.32Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
N7	C5	sing	1.35Å	1.39Å	Aromatic
C5	C6	sing	1.40Å	1.43Å	Aromatic
C5	C4	doub	1.40Å	1.41Å	Aromatic
C6	N6	sing	1.38Å	1.34Å
C6	N1	doub	1.33Å	1.38Å	Aromatic
N6	HN61	sing	0.97Å	1.02Å
N6	HN62	sing	0.97Å	1.02Å
N1	C2	sing	1.32Å	1.36Å	Aromatic
C2	N3	doub	1.32Å	1.36Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
N3	C4	sing	1.33Å	1.37Å	Aromatic

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1P	P1	O2P	111.7°	109.4°
O1P	P1	O3P	110.2°	109.5°
O1P	P1	O3'	108.4°	109.5°
O2P	P1	O3P	111.2°	109.4°
O2P	P1	O3'	107.0°	109.5°
P1	O2P	HOP2	111.7°	106.9°
O3P	P1	O3'	108.2°	109.5°
P1	O3P	HOP3	110.2°	106.8°
P1	O3'	C3'	126.7°	106.8°
O4P	P2	O5P	110.3°	109.5°
O4P	P2	O6P	111.3°	109.5°
O4P	P2	O5'	108.0°	109.5°
O5P	P2	O6P	110.8°	109.5°
O5P	P2	O5'	108.0°	109.4°
P2	O5P	HOP5	110.3°	106.8°
O6P	P2	O5'	108.4°	109.4°
P2	O6P	HOP6	111.3°	106.8°
P2	O5'	C5'	124.3°	106.8°
O5'	C5'	C4'	108.3°	109.4°
O5'	C5'	H5'1	112.7°	109.5°
O5'	C5'	H5'2	112.7°	109.5°
C4'	C5'	H5'1	112.6°	109.5°
C4'	C5'	H5'2	112.7°	109.5°
C5'	C4'	O4'	107.6°	110.4°
C5'	C4'	C3'	114.9°	110.5°
C5'	C4'	H4'	106.1°	110.3°
H5'1	C5'	H5'2	97.8°	109.5°
O4'	C4'	C3'	106.0°	104.8°
O4'	C4'	H4'	114.9°	110.4°
C4'	O4'	C1'	109.3°	105.3°
C3'	C4'	H4'	107.7°	110.4°
C4'	C3'	O3'	107.9°	110.6°
C4'	C3'	C2'	101.0°	104.1°
C4'	C3'	H3'	118.1°	110.5°
O4'	C1'	C2'	104.1°	104.9°
O4'	C1'	N9	111.3°	110.4°
O4'	C1'	H1'	113.5°	110.3°
O3'	C3'	C2'	115.8°	110.6°
O3'	C3'	H3'	103.9°	110.4°
C2'	C3'	H3'	110.6°	110.5°
C3'	C2'	O2'	117.2°	110.5°
C3'	C2'	C1'	100.9°	104.0°
C3'	C2'	H2'	111.6°	110.5°
O2'	C2'	C1'	113.0°	110.8°
O2'	C2'	H2'	99.1°	110.5°
C2'	O2'	HO2'	117.2°	106.8°
C1'	C2'	H2'	115.9°	110.4°
C2'	C1'	N9	113.9°	110.4°
C2'	C1'	H1'	110.8°	110.4°
N9	C1'	H1'	103.5°	110.4°
C1'	N9	C8	129.3°	126.2°
C1'	N9	C4	125.3°	126.3°
C8	N9	C4	105.4°	107.5°
N9	C8	N7	114.6°	110.0°
N9	C8	H8	124.7°	125.0°
N9	C4	C5	105.2°	106.0°
N9	C4	N3	127.8°	134.9°
N7	C8	H8	120.6°	125.0°
C8	N7	C5	103.8°	109.5°
N7	C5	C6	132.6°	134.7°
N7	C5	C4	111.0°	107.1°
C6	C5	C4	116.4°	118.2°
C5	C6	N6	123.5°	120.8°
C5	C6	N1	117.8°	118.5°
C5	C4	N3	127.1°	119.0°
N6	C6	N1	118.7°	120.8°
C6	N6	HN61	123.5°	120.0°
C6	N6	HN62	107.3°	120.0°
C6	N1	C2	119.5°	121.1°
HN61	N6	HN62	107.2°	120.0°
N1	C2	N3	128.1°	122.5°
N1	C2	H2	115.7°	118.8°
N3	C2	H2	116.1°	118.7°
C2	N3	C4	111.1°	120.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1P	P1	O2P	O3P	123.6°	120.0°
O1P	P1	O2P	O3'	118.5°	120.0°
O1P	P1	O3P	O3'	118.3°	120.0°
O1P	P1	O2P	HOP2	180.0°	60.0°
O1P	P1	O3P	HOP3	180.0°	180.0°
O1P	P1	O3'	C3'	55.0°	60.0°
O2P	P1	O3P	O3'	117.2°	120.0°
O2P	P1	O3P	HOP3	55.5°	60.1°
O2P	P1	O3'	C3'	65.6°	180.0°
O3P	P1	O2P	HOP2	56.4°	60.0°
O3P	P1	O3'	C3'	174.5°	60.0°
O3'	P1	O2P	HOP2	61.5°	180.0°
O3'	P1	O3P	HOP3	61.7°	60.0°
P1	O3'	C3'	C4'	158.9°	120.0°
P1	O3'	C3'	C2'	88.8°	125.3°
P1	O3'	C3'	H3'	32.6°	2.6°
O4P	P2	O5P	O6P	123.7°	120.0°
O4P	P2	O5P	O5'	117.8°	120.0°
O4P	P2	O6P	O5'	118.6°	120.0°
O4P	P2	O5P	HOP5	180.0°	60.0°
O4P	P2	O6P	HOP6	180.0°	180.0°
O4P	P2	O5'	C5'	71.1°	60.0°
O5P	P2	O6P	O5'	118.3°	120.0°
O5P	P2	O6P	HOP6	56.9°	60.0°
O5P	P2	O5'	C5'	169.6°	180.0°
O6P	P2	O5P	HOP5	56.3°	60.0°
O6P	P2	O5'	C5'	49.6°	60.0°
O5'	P2	O5P	HOP5	62.2°	179.9°
O5'	P2	O6P	HOP6	61.4°	60.0°
P2	O5'	C5'	C4'	171.3°	180.0°
P2	O5'	C5'	H5'1	46.0°	60.0°
P2	O5'	C5'	H5'2	63.5°	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	118.6°	120.0°
O5'	C5'	C4'	O4'	72.6°	61.4°
O5'	C5'	C4'	C3'	169.7°	176.9°
O5'	C5'	C4'	H4'	50.9°	60.8°
C4'	C5'	H5'1	H5'2	118.6°	120.0°
C5'	C4'	O4'	C3'	123.3°	119.0°
C5'	C4'	O4'	H4'	117.9°	122.2°
C5'	C4'	C3'	H4'	117.9°	122.2°
C5'	C4'	O4'	C1'	122.5°	159.5°
C5'	C4'	C3'	O3'	145.8°	98.3°
C5'	C4'	C3'	C2'	92.3°	143.0°
C5'	C4'	C3'	H3'	28.4°	24.3°
H5'1	C5'	C4'	O4'	52.7°	178.5°
H5'1	C5'	C4'	C3'	65.0°	63.0°
H5'1	C5'	C4'	H4'	176.1°	59.2°
H5'2	C5'	C4'	O4'	162.1°	58.5°
H5'2	C5'	C4'	C3'	44.4°	57.0°
H5'2	C5'	C4'	H4'	74.4°	179.2°
O4'	C4'	C3'	H4'	123.5°	118.9°
O4'	C4'	C3'	O3'	95.6°	142.8°
O4'	C4'	C3'	C2'	26.3°	24.0°
O4'	C4'	C3'	H3'	147.0°	94.6°
C4'	O4'	C1'	C2'	25.5°	40.4°
C4'	O4'	C1'	N9	148.7°	159.3°
C4'	O4'	C1'	H1'	95.0°	78.4°
C3'	C4'	O4'	C1'	0.8°	40.5°
C4'	C3'	O3'	C2'	112.3°	114.7°
C4'	C3'	O3'	H3'	126.2°	122.6°
C4'	C3'	C2'	H3'	125.9°	118.6°
C4'	C3'	C2'	O2'	163.4°	118.8°
C4'	C3'	C2'	C1'	40.3°	0.1°
C4'	C3'	C2'	H2'	83.4°	118.6°
H4'	C4'	O4'	C1'	119.6°	78.4°
H4'	C4'	C3'	O3'	27.8°	23.9°
H4'	C4'	C3'	C2'	149.8°	94.8°
H4'	C4'	C3'	H3'	89.6°	146.5°
O4'	C1'	C2'	C3'	41.4°	23.9°
O4'	C1'	C2'	O2'	167.3°	142.6°
O4'	C1'	C2'	N9	121.4°	118.9°
O4'	C1'	C2'	H1'	122.3°	118.8°
O4'	C1'	C2'	H2'	79.3°	94.7°
O4'	C1'	N9	H1'	122.3°	122.3°
O4'	C1'	N9	C8	61.0°	27.0°
O4'	C1'	N9	C4	119.0°	153.0°
O3'	C3'	C2'	H3'	117.8°	122.6°
O3'	C3'	C2'	O2'	47.1°	0.1°
O3'	C3'	C2'	C1'	75.9°	118.9°
O3'	C3'	C2'	H2'	160.4°	122.6°
C3'	C2'	O2'	C1'	116.6°	114.7°
C3'	C2'	O2'	H2'	120.1°	122.6°
C3'	C2'	C1'	H2'	120.7°	118.5°
C3'	C2'	O2'	HO2'	180.0°	180.0°
C3'	C2'	C1'	N9	162.8°	142.8°
C3'	C2'	C1'	H1'	81.0°	95.0°
H3'	C3'	C2'	O2'	70.7°	122.5°
H3'	C3'	C2'	C1'	166.2°	118.5°
H3'	C3'	C2'	H2'	42.5°	0.1°
O2'	C2'	C1'	H2'	113.4°	122.7°
O2'	C2'	C1'	N9	71.3°	98.5°
O2'	C2'	C1'	H1'	44.9°	23.7°
C1'	C2'	O2'	HO2'	63.3°	65.3°
C2'	C1'	N9	H1'	120.4°	122.2°
C2'	C1'	N9	C8	56.4°	88.5°
C2'	C1'	N9	C4	123.6°	91.5°
H2'	C2'	O2'	HO2'	59.9°	57.4°
H2'	C2'	C1'	N9	42.1°	24.2°
H2'	C2'	C1'	H1'	158.3°	146.5°
C1'	N9	C8	C4	180.0°	180.0°
C1'	N9	C8	N7	179.9°	180.0°
C1'	N9	C8	H8	0.1°	0.0°
C1'	N9	C4	C5	179.9°	179.8°
C1'	N9	C4	N3	0.0°	0.1°
H1'	C1'	N9	C8	176.8°	149.3°
H1'	C1'	N9	C4	3.2°	30.7°
N9	C8	N7	H8	180.0°	180.0°
N9	C8	N7	C5	0.0°	0.2°
C8	N9	C4	C5	0.2°	0.2°
C8	N9	C4	N3	180.0°	179.9°
C4	N9	C8	N7	0.1°	0.0°
C4	N9	C8	H8	179.9°	180.0°
N9	C4	C5	N7	0.2°	0.3°
N9	C4	C5	C6	179.9°	179.6°
N9	C4	C5	N3	179.8°	179.9°
N9	C4	N3	C2	179.9°	179.9°
C8	N7	C5	C6	179.9°	179.5°
C8	N7	C5	C4	0.1°	0.3°
H8	C8	N7	C5	180.0°	179.8°
N7	C5	C6	C4	179.9°	179.1°
N7	C5	C6	N6	0.1°	0.7°
N7	C5	C6	N1	179.9°	179.6°
N7	C5	C4	N3	180.0°	179.8°
C5	C6	N6	N1	180.0°	179.7°
C5	C6	N6	HN61	180.0°	179.7°
C5	C6	N6	HN62	54.8°	0.5°
C5	C6	N1	C2	0.0°	0.4°
C6	C5	C4	N3	0.0°	0.4°
C4	C5	C6	N6	180.0°	179.8°
C4	C5	C6	N1	0.1°	0.5°
C5	C4	N3	C2	0.1°	0.2°
C6	N6	HN61	HN62	125.2°	179.8°
N6	C6	N1	C2	180.0°	179.9°
N1	C6	N6	HN61	0.1°	0.0°
N1	C6	N6	HN62	125.3°	179.8°
C6	N1	C2	N3	0.1°	0.1°
C6	N1	C2	H2	180.0°	180.0°
N1	C2	N3	H2	180.0°	179.9°
N1	C2	N3	C4	0.1°	0.0°
H2	C2	N3	C4	179.9°	179.9°

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