IMU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
P	O1P	sing	1.61Å	1.48Å
P	O2P	doub	1.48Å	1.47Å
P	O3P	sing	1.61Å	1.48Å
P	O5'	sing	1.61Å	1.53Å
C2	N1	sing	1.36Å	1.41Å	Aromatic
C2	N2	sing	1.37Å	1.34Å
C2	N3	doub	1.31Å	1.37Å	Aromatic
O1P	HO1P	sing	0.97Å	0.95Å
O3P	HO3P	sing	0.97Å	0.95Å
O5'	C5'	sing	1.43Å	1.41Å
C5'	C4'	sing	1.53Å	1.47Å
C5'	H5'1	sing	1.09Å	1.12Å
C5'	H5'2	sing	1.09Å	1.11Å
C4'	N4'	sing	1.49Å	1.42Å
C4'	C3'	sing	1.54Å	1.49Å
C4'	H4'	sing	1.09Å	1.12Å
N4'	C1'	sing	1.48Å	1.42Å
N4'	HN4'	sing	1.01Å	1.02Å
C3'	O3'	sing	1.43Å	1.42Å
C3'	C2'	sing	1.54Å	1.50Å
C3'	H3'	sing	1.09Å	1.11Å
O3'	HO3'	sing	0.97Å	0.95Å
C2'	O2'	sing	1.43Å	1.43Å
C2'	C1'	sing	1.54Å	1.56Å
C2'	H2'	sing	1.09Å	1.11Å
O2'	HO2'	sing	0.97Å	0.95Å
C1'	C9	sing	1.51Å	1.53Å
C1'	H1'	sing	1.09Å	1.11Å
C9	C8	doub	1.35Å	1.41Å	Aromatic
C9	C4	sing	1.41Å	1.41Å	Aromatic
C8	N7	sing	1.36Å	1.30Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
N7	C5	sing	1.38Å	1.40Å	Aromatic
N7	HN7	sing	0.97Å	1.02Å
C5	C6	sing	1.41Å	1.44Å	Aromatic
C5	C4	doub	1.40Å	1.41Å	Aromatic
C6	O6	doub	1.22Å	1.23Å
C6	N1	sing	1.35Å	1.41Å	Aromatic
N1	HN1	sing	0.97Å	1.02Å
N2	HN21	sing	0.97Å	1.02Å
N2	HN22	sing	0.97Å	1.02Å
N3	C4	sing	1.35Å	1.39Å	Aromatic

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1P	P	O2P	114.0°	109.5°
O1P	P	O3P	109.9°	109.4°
O1P	P	O5'	107.7°	109.5°
P	O1P	HO1P	114.0°	106.8°
O2P	P	O3P	112.7°	109.5°
O2P	P	O5'	110.6°	109.4°
O3P	P	O5'	101.0°	109.5°
P	O3P	HO3P	109.9°	106.8°
P	O5'	C5'	127.8°	106.8°
N1	C2	N2	117.5°	119.1°
N1	C2	N3	122.7°	121.8°
C2	N1	C6	124.3°	120.5°
C2	N1	HN1	118.2°	119.8°
N2	C2	N3	119.8°	119.1°
C2	N2	HN21	117.5°	120.0°
C2	N2	HN22	109.3°	120.0°
C2	N3	C4	113.7°	121.0°
O5'	C5'	C4'	106.3°	109.6°
O5'	C5'	H5'1	113.4°	109.5°
O5'	C5'	H5'2	113.4°	109.5°
C4'	C5'	H5'1	113.4°	109.5°
C4'	C5'	H5'2	113.4°	109.4°
C5'	C4'	N4'	110.7°	110.4°
C5'	C4'	C3'	109.0°	110.6°
C5'	C4'	H4'	109.1°	110.3°
H5'1	C5'	H5'2	97.1°	109.4°
N4'	C4'	C3'	109.9°	104.6°
N4'	C4'	H4'	108.2°	110.4°
C4'	N4'	C1'	113.2°	104.3°
C4'	N4'	HN4'	110.9°	106.7°
C3'	C4'	H4'	110.0°	110.4°
C4'	C3'	O3'	107.4°	110.3°
C4'	C3'	C2'	102.9°	105.1°
C4'	C3'	H3'	116.7°	110.3°
C1'	N4'	HN4'	110.8°	106.7°
N4'	C1'	C2'	102.6°	104.7°
N4'	C1'	C9	107.3°	110.5°
N4'	C1'	H1'	114.8°	110.4°
O3'	C3'	C2'	114.5°	110.3°
O3'	C3'	H3'	105.7°	110.3°
C3'	O3'	HO3'	107.4°	106.8°
C2'	C3'	H3'	110.0°	110.4°
C3'	C2'	O2'	111.9°	110.3°
C3'	C2'	C1'	110.0°	105.0°
C3'	C2'	H2'	107.6°	110.3°
O2'	C2'	C1'	110.0°	110.6°
O2'	C2'	H2'	107.6°	110.3°
C2'	O2'	HO2'	111.9°	106.8°
C1'	C2'	H2'	109.6°	110.2°
C2'	C1'	C9	108.6°	110.5°
C2'	C1'	H1'	113.7°	110.4°
C9	C1'	H1'	109.4°	110.3°
C1'	C9	C8	126.2°	126.0°
C1'	C9	C4	130.4°	126.1°
C8	C9	C4	103.4°	107.9°
C9	C8	N7	115.5°	109.5°
C9	C8	H8	125.9°	125.3°
C9	C4	C5	106.2°	106.6°
C9	C4	N3	127.6°	133.9°
N7	C8	H8	118.6°	125.3°
C8	N7	C5	104.2°	108.8°
C8	N7	HN7	125.4°	125.6°
C5	N7	HN7	130.5°	125.6°
N7	C5	C6	129.3°	134.0°
N7	C5	C4	110.7°	107.3°
C6	C5	C4	120.0°	118.7°
C5	C6	O6	127.0°	120.8°
C5	C6	N1	113.1°	118.5°
C5	C4	N3	126.1°	119.5°
O6	C6	N1	119.9°	120.8°
C6	N1	HN1	117.5°	119.8°
HN21	N2	HN22	109.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1P	P	O2P	O3P	126.2°	120.0°
O1P	P	O2P	O5'	121.6°	120.0°
O1P	P	O3P	O5'	113.6°	120.0°
O1P	P	O3P	HO3P	180.0°	60.0°
O1P	P	O5'	C5'	32.9°	180.0°
O2P	P	O3P	O5'	118.0°	120.0°
O2P	P	O1P	HO1P	180.0°	60.1°
O2P	P	O3P	HO3P	51.6°	180.0°
O2P	P	O5'	C5'	92.4°	60.0°
O3P	P	O1P	HO1P	52.3°	60.0°
O3P	P	O5'	C5'	148.1°	60.0°
O5'	P	O1P	HO1P	56.8°	180.0°
O5'	P	O3P	HO3P	66.4°	59.9°
P	O5'	C5'	C4'	138.0°	180.0°
P	O5'	C5'	H5'1	96.8°	60.0°
P	O5'	C5'	H5'2	12.7°	60.0°
N1	C2	N2	N3	179.8°	179.7°
C2	N1	C6	C5	0.4°	0.5°
C2	N1	C6	O6	180.0°	179.7°
C2	N1	C6	HN1	179.9°	179.4°
N1	C2	N2	HN21	180.0°	179.7°
N1	C2	N2	HN22	54.7°	0.5°
N1	C2	N3	C4	0.6°	0.3°
N2	C2	N1	C6	179.9°	179.7°
N2	C2	N1	HN1	0.0°	0.3°
C2	N2	HN21	HN22	125.3°	179.8°
N2	C2	N3	C4	179.6°	180.0°
C2	N3	C4	C9	179.9°	179.9°
C2	N3	C4	C5	0.4°	0.0°
N3	C2	N1	C6	0.2°	0.6°
N3	C2	N1	HN1	179.8°	180.0°
N3	C2	N2	HN21	0.2°	0.0°
N3	C2	N2	HN22	125.1°	179.8°
O5'	C5'	C4'	H5'1	125.2°	120.1°
O5'	C5'	C4'	H5'2	125.3°	120.0°
O5'	C5'	H5'1	H5'2	119.3°	120.0°
O5'	C5'	C4'	N4'	54.0°	61.4°
O5'	C5'	C4'	C3'	174.9°	176.7°
O5'	C5'	C4'	H4'	64.9°	60.9°
C4'	C5'	H5'1	H5'2	119.3°	119.9°
C5'	C4'	N4'	C3'	120.4°	119.0°
C5'	C4'	N4'	H4'	119.5°	122.3°
C5'	C4'	C3'	H4'	119.6°	122.4°
C5'	C4'	N4'	C1'	109.4°	158.4°
C5'	C4'	N4'	HN4'	15.9°	88.9°
C5'	C4'	C3'	O3'	129.3°	98.3°
C5'	C4'	C3'	C2'	109.5°	142.8°
C5'	C4'	C3'	H3'	11.0°	23.8°
H5'1	C5'	C4'	N4'	71.2°	178.5°
H5'1	C5'	C4'	C3'	49.7°	63.3°
H5'1	C5'	C4'	H4'	169.8°	59.2°
H5'2	C5'	C4'	N4'	179.3°	58.6°
H5'2	C5'	C4'	C3'	59.8°	56.6°
H5'2	C5'	C4'	H4'	60.3°	179.1°
N4'	C4'	C3'	H4'	119.0°	118.7°
C4'	N4'	C1'	HN4'	125.3°	112.7°
N4'	C4'	C3'	O3'	109.2°	142.8°
N4'	C4'	C3'	C2'	11.9°	23.9°
N4'	C4'	C3'	H3'	132.4°	95.1°
C4'	N4'	C1'	C2'	4.7°	39.4°
C4'	N4'	C1'	C9	109.7°	158.3°
C4'	N4'	C1'	H1'	128.5°	79.4°
C3'	C4'	N4'	C1'	11.0°	39.4°
C3'	C4'	N4'	HN4'	136.3°	152.1°
C4'	C3'	O3'	C2'	113.5°	115.7°
C4'	C3'	O3'	H3'	125.3°	122.1°
C4'	C3'	C2'	H3'	125.0°	118.9°
C4'	C3'	O3'	HO3'	180.0°	180.0°
C4'	C3'	C2'	O2'	131.7°	119.0°
C4'	C3'	C2'	C1'	9.1°	0.2°
C4'	C3'	C2'	H2'	110.2°	118.9°
H4'	C4'	N4'	C1'	131.1°	79.3°
H4'	C4'	N4'	HN4'	103.6°	33.4°
H4'	C4'	C3'	O3'	9.8°	24.1°
H4'	C4'	C3'	C2'	130.9°	94.8°
H4'	C4'	C3'	H3'	108.6°	146.2°
N4'	C1'	C2'	C3'	3.2°	23.7°
N4'	C1'	C2'	O2'	126.9°	142.7°
N4'	C1'	C2'	C9	113.4°	118.9°
N4'	C1'	C2'	H1'	124.6°	118.8°
N4'	C1'	C2'	H2'	115.0°	95.1°
N4'	C1'	C9	H1'	125.1°	122.3°
N4'	C1'	C9	C8	15.9°	27.0°
N4'	C1'	C9	C4	165.3°	153.1°
HN4'	N4'	C1'	C2'	130.0°	152.1°
HN4'	N4'	C1'	C9	15.6°	89.0°
HN4'	N4'	C1'	H1'	106.2°	33.3°
O3'	C3'	C2'	H3'	118.8°	122.2°
O3'	C3'	C2'	O2'	15.5°	0.1°
O3'	C3'	C2'	C1'	107.1°	119.1°
O3'	C3'	C2'	H2'	133.6°	122.2°
C2'	C3'	O3'	HO3'	66.5°	64.3°
C3'	C2'	O2'	C1'	122.6°	115.7°
C3'	C2'	O2'	H2'	118.1°	122.1°
C3'	C2'	C1'	H2'	118.2°	118.8°
C3'	C2'	O2'	HO2'	180.0°	61.5°
C3'	C2'	C1'	C9	116.6°	142.6°
C3'	C2'	C1'	H1'	121.4°	95.1°
H3'	C3'	O3'	HO3'	54.7°	57.9°
H3'	C3'	C2'	O2'	103.3°	122.1°
H3'	C3'	C2'	C1'	134.1°	118.7°
H3'	C3'	C2'	H2'	14.8°	0.0°
O2'	C2'	C1'	H2'	118.2°	122.2°
O2'	C2'	C1'	C9	119.7°	98.4°
O2'	C2'	C1'	H1'	2.3°	23.9°
C1'	C2'	O2'	HO2'	57.4°	177.2°
C2'	C1'	C9	H1'	124.6°	122.3°
C2'	C1'	C9	C8	94.4°	88.4°
C2'	C1'	C9	C4	84.5°	91.5°
H2'	C2'	O2'	HO2'	62.0°	60.6°
H2'	C2'	C1'	C9	1.5°	23.8°
H2'	C2'	C1'	H1'	120.5°	146.1°
C1'	C9	C8	C4	179.1°	179.9°
C1'	C9	C8	N7	179.1°	180.0°
C1'	C9	C8	H8	1.0°	0.0°
C1'	C9	C4	C5	178.6°	180.0°
C1'	C9	C4	N3	0.9°	0.1°
H1'	C1'	C9	C8	141.0°	149.3°
H1'	C1'	C9	C4	40.2°	30.8°
C9	C8	N7	H8	180.0°	180.0°
C9	C8	N7	C5	0.4°	0.0°
C9	C8	N7	HN7	179.6°	179.9°
C8	C9	C4	C5	0.4°	0.1°
C8	C9	C4	N3	179.9°	180.0°
C4	C9	C8	N7	0.0°	0.1°
C4	C9	C8	H8	180.0°	180.0°
C9	C4	C5	N7	0.6°	0.1°
C9	C4	C5	C6	179.4°	180.0°
C9	C4	C5	N3	179.6°	179.9°
C8	N7	C5	HN7	179.9°	179.9°
C8	N7	C5	C6	179.4°	180.0°
C8	N7	C5	C4	0.6°	0.1°
H8	C8	N7	C5	179.7°	180.0°
H8	C8	N7	HN7	0.4°	0.1°
N7	C5	C6	C4	180.0°	179.9°
N7	C5	C6	O6	0.1°	0.1°
N7	C5	C6	N1	179.4°	179.7°
N7	C5	C4	N3	179.8°	180.0°
HN7	N7	C5	C6	0.6°	0.2°
HN7	N7	C5	C4	179.3°	179.9°
C5	C6	O6	N1	179.5°	179.7°
C5	C6	N1	HN1	179.6°	180.0°
C6	C5	C4	N3	0.2°	0.1°
C4	C5	C6	O6	179.9°	180.0°
C4	C5	C6	N1	0.5°	0.2°
O6	C6	N1	HN1	0.0°	0.3°

Definition date:	1999-07-08
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	1BZY