PAJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
P	O1P	doub	1.48Å	1.44Å
P	O2P	sing	1.61Å	1.49Å
P	O5'	sing	1.61Å	1.63Å
P	O12	sing	1.61Å	1.55Å
O2P	HOP2	sing	0.97Å	0.95Å
O5'	C5'	sing	1.43Å	1.27Å
C5'	C4'	sing	1.53Å	1.53Å
C5'	H5'1	sing	1.09Å	1.11Å
C5'	H5'2	sing	1.09Å	1.11Å
C4'	O4'	sing	1.44Å	1.46Å
C4'	C3'	sing	1.54Å	1.55Å
C4'	H4'	sing	1.09Å	1.11Å
O4'	C1'	sing	1.44Å	1.42Å
C3'	O3'	sing	1.43Å	1.41Å
C3'	C2'	sing	1.55Å	1.48Å
C3'	H3'	sing	1.09Å	1.11Å
O3'	H3T	sing	0.97Å	0.95Å
C2'	O2'	sing	1.43Å	1.44Å
C2'	C1'	sing	1.55Å	1.51Å
C2'	H2'	sing	1.09Å	1.11Å
O2'	HO'2	sing	0.97Å	0.95Å
C1'	N9	sing	1.46Å	1.43Å
C1'	H1'	sing	1.09Å	1.12Å
N9	C8	sing	1.36Å	1.37Å	Aromatic
N9	C4	sing	1.37Å	1.38Å	Aromatic
C8	N7	doub	1.30Å	1.30Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
N7	C5	sing	1.35Å	1.36Å	Aromatic
C5	C6	doub	1.40Å	1.43Å	Aromatic
C5	C4	sing	1.41Å	1.43Å	Aromatic
C6	N6	sing	1.38Å	1.33Å
C6	N1	sing	1.33Å	1.40Å	Aromatic
N6	H61	sing	0.97Å	1.02Å
N6	H62	sing	0.97Å	1.02Å
N1	C2	doub	1.32Å	1.39Å	Aromatic
C2	N3	sing	1.32Å	1.40Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
N3	C4	doub	1.33Å	1.41Å	Aromatic
O11	C11	doub	1.21Å	1.31Å
C11	O12	sing	1.34Å	1.58Å
C11	C12	sing	1.51Å	1.53Å
C12	O13	sing	1.43Å	1.48Å
C12	C13	sing	1.53Å	1.60Å
C12	H12	sing	1.09Å	1.11Å
O13	H13	sing	0.97Å	0.95Å
C13	C14	sing	1.53Å	1.57Å
C13	C15	sing	1.53Å	1.59Å
C13	C16	sing	1.53Å	1.54Å
C14	H141	sing	1.09Å	1.11Å
C14	H142	sing	1.09Å	1.11Å
C14	H143	sing	1.09Å	1.12Å
C15	H151	sing	1.09Å	1.11Å
C15	H152	sing	1.09Å	1.12Å
C15	H153	sing	1.09Å	1.12Å
C16	O14	sing	1.43Å	1.43Å
C16	H161	sing	1.09Å	1.12Å
C16	H162	sing	1.09Å	1.11Å
O14	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1P	P	O2P	118.9°	109.5°
O1P	P	O5'	105.1°	109.5°
O1P	P	O12	106.6°	109.5°
O2P	P	O5'	111.1°	109.4°
O2P	P	O12	105.0°	109.5°
P	O2P	HOP2	118.8°	106.8°
O5'	P	O12	109.9°	109.5°
P	O5'	C5'	106.0°	106.8°
P	O12	C11	138.0°	120.0°
O5'	C5'	C4'	105.5°	109.5°
O5'	C5'	H5'1	113.7°	109.4°
O5'	C5'	H5'2	113.7°	109.5°
C4'	C5'	H5'1	113.7°	109.5°
C4'	C5'	H5'2	113.7°	109.4°
C5'	C4'	O4'	110.0°	109.9°
C5'	C4'	C3'	114.4°	109.9°
C5'	C4'	H4'	104.5°	109.9°
H5'1	C5'	H5'2	96.8°	109.5°
O4'	C4'	C3'	105.4°	107.4°
O4'	C4'	H4'	113.7°	109.8°
C4'	O4'	C1'	108.3°	107.0°
C3'	C4'	H4'	109.1°	109.8°
C4'	C3'	O3'	108.0°	110.8°
C4'	C3'	C2'	104.1°	104.0°
C4'	C3'	H3'	114.9°	110.5°
O4'	C1'	C2'	105.6°	103.5°
O4'	C1'	N9	112.2°	110.6°
O4'	C1'	H1'	110.2°	110.6°
O3'	C3'	C2'	112.3°	110.4°
O3'	C3'	H3'	107.0°	110.4°
C3'	O3'	H3T	108.0°	106.8°
C2'	C3'	H3'	110.6°	110.5°
C3'	C2'	O2'	115.9°	110.9°
C3'	C2'	C1'	102.5°	102.1°
C3'	C2'	H2'	111.8°	110.9°
O2'	C2'	C1'	114.3°	111.0°
O2'	C2'	H2'	99.3°	110.8°
C2'	O2'	HO'2	116.0°	106.8°
C1'	C2'	H2'	113.6°	110.8°
C2'	C1'	N9	109.1°	110.8°
C2'	C1'	H1'	113.1°	110.6°
N9	C1'	H1'	106.7°	110.5°
C1'	N9	C8	131.4°	126.2°
C1'	N9	C4	125.2°	126.3°
C8	N9	C4	103.4°	107.4°
N9	C8	N7	117.4°	110.0°
N9	C8	H8	123.5°	125.0°
N9	C4	C5	105.6°	106.0°
N9	C4	N3	126.9°	134.9°
N7	C8	H8	119.1°	125.0°
C8	N7	C5	102.8°	109.4°
N7	C5	C6	132.8°	134.7°
N7	C5	C4	110.8°	107.1°
C6	C5	C4	116.4°	118.2°
C5	C6	N6	122.4°	120.8°
C5	C6	N1	118.4°	118.5°
C5	C4	N3	127.4°	119.1°
N6	C6	N1	119.2°	120.7°
C6	N6	H61	122.4°	120.0°
C6	N6	H62	107.6°	120.0°
C6	N1	C2	121.3°	121.2°
H61	N6	H62	107.6°	119.9°
N1	C2	N3	124.7°	122.5°
N1	C2	H2	117.3°	118.8°
N3	C2	H2	118.0°	118.7°
C2	N3	C4	111.8°	120.6°
O11	C11	O12	115.7°	120.1°
O11	C11	C12	119.5°	119.9°
O12	C11	C12	124.8°	120.0°
C11	C12	O13	107.4°	109.5°
C11	C12	C13	111.9°	109.5°
C11	C12	H12	110.0°	109.5°
O13	C12	C13	111.5°	109.4°
O13	C12	H12	110.4°	109.5°
C12	O13	H13	107.4°	106.8°
C13	C12	H12	105.8°	109.4°
C12	C13	C14	111.8°	109.5°
C12	C13	C15	110.6°	109.4°
C12	C13	C16	105.5°	109.5°
C14	C13	C15	111.1°	109.5°
C14	C13	C16	110.4°	109.5°
C13	C14	H141	111.8°	109.5°
C13	C14	H142	111.3°	109.5°
C13	C14	H143	111.3°	109.5°
C15	C13	C16	107.2°	109.5°
C13	C15	H151	110.6°	109.5°
C13	C15	H152	111.8°	109.5°
C13	C15	H153	111.8°	109.5°
C13	C16	O14	111.3°	109.4°
C13	C16	H161	111.5°	109.5°
C13	C16	H162	111.5°	109.5°
H141	C14	H142	111.4°	109.5°
H141	C14	H143	111.3°	109.5°
H142	C14	H143	99.1°	109.4°
H151	C15	H152	111.8°	109.4°
H151	C15	H153	111.8°	109.5°
H152	C15	H153	98.6°	109.4°
O14	C16	H161	111.6°	109.4°
O14	C16	H162	111.6°	109.4°
C16	O14	H14	111.2°	106.8°
H161	C16	H162	98.8°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1P	P	O2P	O5'	122.1°	120.0°
O1P	P	O2P	O12	119.1°	120.0°
O1P	P	O5'	O12	114.4°	120.0°
O1P	P	O2P	HOP2	180.0°	180.0°
O1P	P	O5'	C5'	171.9°	60.0°
O1P	P	O12	C11	64.6°	60.0°
O2P	P	O5'	O12	115.8°	120.0°
O2P	P	O5'	C5'	58.2°	60.0°
O2P	P	O12	C11	168.4°	60.0°
O5'	P	O2P	HOP2	57.8°	60.0°
P	O5'	C5'	C4'	168.4°	180.0°
P	O5'	C5'	H5'1	43.1°	60.0°
P	O5'	C5'	H5'2	66.4°	60.0°
O5'	P	O12	C11	48.9°	180.0°
O12	P	O2P	HOP2	60.9°	60.0°
O12	P	O5'	C5'	57.6°	180.0°
P	O12	C11	O11	13.6°	0.0°
P	O12	C11	C12	165.9°	180.0°
O5'	C5'	C4'	H5'1	125.3°	120.0°
O5'	C5'	C4'	H5'2	125.2°	120.0°
O5'	C5'	H5'1	H5'2	119.6°	120.0°
O5'	C5'	C4'	O4'	61.8°	61.7°
O5'	C5'	C4'	C3'	56.5°	179.7°
O5'	C5'	C4'	H4'	175.8°	59.3°
C4'	C5'	H5'1	H5'2	119.6°	120.0°
C5'	C4'	O4'	C3'	123.8°	119.5°
C5'	C4'	O4'	H4'	116.8°	121.0°
C5'	C4'	C3'	H4'	116.7°	121.1°
C5'	C4'	O4'	C1'	129.9°	145.9°
C5'	C4'	C3'	O3'	137.2°	119.9°
C5'	C4'	C3'	C2'	103.2°	121.4°
C5'	C4'	C3'	H3'	17.9°	2.8°
H5'1	C5'	C4'	O4'	172.9°	58.3°
H5'1	C5'	C4'	C3'	68.8°	59.7°
H5'1	C5'	C4'	H4'	50.6°	179.3°
H5'2	C5'	C4'	O4'	63.4°	178.3°
H5'2	C5'	C4'	C3'	178.2°	60.3°
H5'2	C5'	C4'	H4'	58.9°	60.7°
O4'	C4'	C3'	H4'	122.4°	119.4°
O4'	C4'	C3'	O3'	101.9°	120.6°
O4'	C4'	C3'	C2'	17.7°	1.9°
O4'	C4'	C3'	H3'	138.8°	116.7°
C4'	O4'	C1'	C2'	27.3°	40.0°
C4'	O4'	C1'	N9	146.1°	158.7°
C4'	O4'	C1'	H1'	95.2°	78.5°
C3'	C4'	O4'	C1'	6.1°	26.4°
C4'	C3'	O3'	C2'	114.3°	114.7°
C4'	C3'	O3'	H3'	124.1°	122.7°
C4'	C3'	C2'	H3'	123.9°	118.6°
C4'	C3'	O3'	H3T	180.0°	176.2°
C4'	C3'	C2'	O2'	158.2°	139.2°
C4'	C3'	C2'	C1'	33.0°	20.9°
C4'	C3'	C2'	H2'	89.0°	97.2°
H4'	C4'	O4'	C1'	113.3°	93.0°
H4'	C4'	C3'	O3'	20.5°	1.2°
H4'	C4'	C3'	C2'	140.1°	117.5°
H4'	C4'	C3'	H3'	98.8°	123.9°
O4'	C1'	C2'	C3'	38.0°	37.0°
O4'	C1'	C2'	O2'	164.2°	155.3°
O4'	C1'	C2'	N9	120.8°	118.6°
O4'	C1'	C2'	H1'	120.6°	118.5°
O4'	C1'	C2'	H2'	82.8°	81.2°
O4'	C1'	N9	H1'	120.7°	122.9°
O4'	C1'	N9	C8	58.6°	28.6°
O4'	C1'	N9	C4	121.6°	151.7°
O3'	C3'	C2'	H3'	119.5°	122.4°
O3'	C3'	C2'	O2'	41.6°	20.3°
O3'	C3'	C2'	C1'	83.6°	98.0°
O3'	C3'	C2'	H2'	154.4°	143.9°
C2'	C3'	O3'	H3T	65.7°	61.5°
C3'	C2'	O2'	C1'	118.8°	112.8°
C3'	C2'	O2'	H2'	119.9°	123.7°
C3'	C2'	C1'	H2'	120.8°	118.2°
C3'	C2'	O2'	HO'2	180.0°	67.2°
C3'	C2'	C1'	N9	158.8°	155.7°
C3'	C2'	C1'	H1'	82.6°	81.5°
H3'	C3'	O3'	H3T	55.9°	61.0°
H3'	C3'	C2'	O2'	77.9°	102.2°
H3'	C3'	C2'	C1'	157.0°	139.5°
H3'	C3'	C2'	H2'	34.9°	21.4°
O2'	C2'	C1'	H2'	113.0°	123.5°
O2'	C2'	C1'	N9	75.0°	86.1°
O2'	C2'	C1'	H1'	43.6°	36.8°
C1'	C2'	O2'	HO'2	61.1°	180.0°
C2'	C1'	N9	H1'	122.6°	122.9°
C2'	C1'	N9	C8	58.1°	85.7°
C2'	C1'	N9	C4	121.7°	94.1°
H2'	C2'	O2'	HO'2	60.1°	56.5°
H2'	C2'	C1'	N9	38.0°	37.5°
H2'	C2'	C1'	H1'	156.6°	160.3°
C1'	N9	C8	C4	179.9°	179.8°
C1'	N9	C8	N7	179.7°	180.0°
C1'	N9	C8	H8	0.3°	0.1°
C1'	N9	C4	C5	179.8°	179.8°
C1'	N9	C4	N3	0.2°	0.7°
H1'	C1'	N9	C8	179.3°	151.5°
H1'	C1'	N9	C4	0.8°	28.8°
N9	C8	N7	H8	180.0°	179.9°
N9	C8	N7	C5	0.1°	0.0°
C8	N9	C4	C5	0.1°	0.4°
C8	N9	C4	N3	179.9°	179.5°
C4	N9	C8	N7	0.1°	0.2°
C4	N9	C8	H8	179.8°	179.8°
N9	C4	C5	N7	0.1°	0.4°
N9	C4	C5	C6	180.0°	179.8°
N9	C4	C5	N3	180.0°	179.3°
N9	C4	N3	C2	179.9°	179.6°
C8	N7	C5	C6	179.9°	180.0°
C8	N7	C5	C4	0.0°	0.3°
H8	C8	N7	C5	179.9°	179.9°
N7	C5	C6	C4	179.9°	179.7°
N7	C5	C6	N6	0.1°	0.0°
N7	C5	C6	N1	180.0°	180.0°
N7	C5	C4	N3	179.9°	179.7°
C5	C6	N6	N1	179.9°	180.0°
C5	C6	N6	H61	179.9°	179.9°
C5	C6	N6	H62	54.8°	0.0°
C5	C6	N1	C2	0.1°	0.0°
C6	C5	C4	N3	0.0°	0.5°
C4	C5	C6	N6	180.0°	179.7°
C4	C5	C6	N1	0.1°	0.3°
C5	C4	N3	C2	0.1°	0.5°
C6	N6	H61	H62	125.2°	180.0°
N6	C6	N1	C2	180.0°	180.0°
N1	C6	N6	H61	0.1°	0.0°
N1	C6	N6	H62	125.1°	180.0°
C6	N1	C2	N3	0.1°	0.0°
C6	N1	C2	H2	179.9°	180.0°
N1	C2	N3	H2	180.0°	180.0°
N1	C2	N3	C4	0.2°	0.3°
H2	C2	N3	C4	179.8°	179.8°
O11	C11	O12	C12	179.5°	179.9°
O11	C11	C12	O13	30.4°	0.1°
O11	C11	C12	C13	92.2°	120.0°
O11	C11	C12	H12	150.5°	120.0°
O12	C11	C12	O13	149.1°	180.0°
O12	C11	C12	C13	88.3°	60.0°
O12	C11	C12	H12	29.0°	60.0°
C11	C12	O13	C13	122.9°	120.0°
C11	C12	O13	H12	119.9°	120.1°
C11	C12	C13	H12	119.7°	120.0°
C11	C12	O13	H13	179.9°	60.0°
C11	C12	C13	C14	57.3°	60.0°
C11	C12	C13	C15	67.1°	60.0°
C11	C12	C13	C16	177.3°	180.0°
O13	C12	C13	H12	120.0°	120.0°
O13	C12	C13	C14	177.5°	60.0°
O13	C12	C13	C15	53.1°	180.0°
O13	C12	C13	C16	62.5°	60.0°
C13	C12	O13	H13	57.1°	60.0°
C12	C13	C14	C15	124.1°	120.0°
C12	C13	C14	C16	117.1°	120.0°
C12	C13	C15	C16	114.5°	120.0°
C12	C13	C14	H141	180.0°	60.0°
C12	C13	C14	H142	54.7°	179.9°
C12	C13	C14	H143	54.8°	60.0°
C12	C13	C15	H151	180.0°	60.0°
C12	C13	C15	H152	54.7°	60.0°
C12	C13	C15	H153	54.7°	180.0°
C12	C13	C16	O14	60.2°	180.0°
C12	C13	C16	H161	174.5°	60.0°
C12	C13	C16	H162	65.1°	60.0°
H12	C12	O13	H13	60.2°	180.0°
H12	C12	C13	C14	62.4°	180.0°
H12	C12	C13	C15	173.2°	60.0°
H12	C12	C13	C16	57.5°	60.0°
C14	C13	C15	C16	120.7°	120.0°
C13	C14	H141	H142	125.3°	120.1°
C13	C14	H141	H143	125.2°	120.0°
C13	C14	H142	H143	117.2°	120.0°
C14	C13	C15	H151	55.2°	180.0°
C14	C13	C15	H152	70.1°	60.0°
C14	C13	C15	H153	179.5°	60.0°
C14	C13	C16	O14	60.8°	60.0°
C14	C13	C16	H161	64.5°	60.0°
C14	C13	C16	H162	173.9°	180.0°
C15	C13	C14	H141	55.9°	180.0°
C15	C13	C14	H142	178.8°	60.0°
C15	C13	C14	H143	69.3°	60.0°
C13	C15	H151	H152	125.3°	120.0°
C13	C15	H151	H153	125.3°	120.0°
C13	C15	H152	H153	117.7°	120.1°
C15	C13	C16	O14	178.1°	60.0°
C15	C13	C16	H161	56.6°	180.0°
C15	C13	C16	H162	52.8°	60.0°
C16	C13	C14	H141	62.9°	60.0°
C16	C13	C14	H142	62.4°	60.1°
C16	C13	C14	H143	171.9°	180.0°
C16	C13	C15	H151	65.5°	60.0°
C16	C13	C15	H152	169.3°	180.0°
C16	C13	C15	H153	59.8°	60.0°
C13	C16	O14	H161	125.2°	120.0°
C13	C16	O14	H162	125.3°	120.0°
C13	C16	H161	H162	117.4°	120.1°
C13	C16	O14	H14	180.0°	180.0°
H141	C14	H142	H143	117.2°	120.0°
H151	C15	H152	H153	117.7°	120.0°
O14	C16	H161	H162	117.5°	120.0°
H161	C16	O14	H14	54.8°	60.1°
H162	C16	O14	H14	54.7°	59.9°

Definition date:	2002-11-07
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1N2H