RI2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1P	P	doub	1.48Å	1.56Å
O5	P	sing	1.61Å	1.60Å
P	O3P	sing	1.61Å	1.56Å
P	O2P	sing	1.61Å	1.57Å
C2	C1	sing	1.54Å	1.51Å
O1	C1	sing	1.43Å	1.40Å
C1	O4	sing	1.43Å	1.45Å
C1	H1	sing	1.09Å	1.10Å
O1	PA	sing	1.61Å	1.61Å
O2	C2	sing	1.43Å	1.44Å
C2	C3	sing	1.55Å	1.46Å
C2	H2	sing	1.09Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å
O3	C3	sing	1.43Å	1.41Å
C3	C4	sing	1.55Å	1.53Å
C3	H3	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C4	O4	sing	1.44Å	1.42Å
C4	C5	sing	1.53Å	1.48Å
C4	H4	sing	1.09Å	1.10Å
C5	O5	sing	1.43Å	1.45Å
C5	H51	sing	1.09Å	1.10Å
C5	H52	sing	1.09Å	1.10Å
O2A	PA	doub	1.48Å	1.57Å
PA	O1A	sing	1.61Å	1.51Å
PA	O3A	sing	1.61Å	1.54Å
O1A	HO1A	sing	0.97Å	0.95Å
O2P	HO2P	sing	0.97Å	0.95Å
O3A	HO3A	sing	0.97Å	0.95Å
O3P	HO3P	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1P	P	O5	105.6°	109.5°
O1P	P	O3P	111.5°	109.5°
O1P	P	O2P	113.4°	109.5°
O5	P	O3P	107.3°	109.5°
O5	P	O2P	106.9°	109.5°
P	O5	C5	118.4°	123.0°
O3P	P	O2P	111.6°	109.4°
P	O3P	HO3P	109.5°	114.0°
P	O2P	HO2P	109.5°	114.0°
C2	C1	O1	113.0°	109.9°
C2	C1	O4	108.0°	107.5°
C2	C1	H1	107.6°	109.8°
C1	C2	O2	109.8°	110.9°
C1	C2	C3	99.6°	102.3°
C1	C2	H2	116.9°	110.8°
O1	C1	O4	108.1°	109.8°
O1	C1	H1	107.6°	109.9°
C1	O1	PA	119.5°	123.0°
O4	C1	H1	112.6°	109.8°
C1	O4	C4	104.4°	110.0°
O1	PA	O2A	100.6°	109.5°
O1	PA	O1A	106.9°	109.5°
O1	PA	O3A	108.4°	109.4°
O2	C2	C3	113.5°	110.8°
O2	C2	H2	103.9°	110.9°
C2	O2	HO2	109.5°	114.0°
C3	C2	H2	113.5°	110.8°
C2	C3	O3	113.5°	111.1°
C2	C3	C4	99.1°	101.0°
C2	C3	H3	115.3°	111.2°
O3	C3	C4	114.0°	111.1°
O3	C3	H3	100.8°	111.0°
C3	O3	HO3	109.5°	114.0°
C4	C3	H3	114.8°	111.1°
C3	C4	O4	105.9°	105.1°
C3	C4	C5	111.6°	110.3°
C3	C4	H4	111.1°	110.3°
O4	C4	C5	111.3°	110.3°
O4	C4	H4	111.4°	110.3°
C5	C4	H4	105.7°	110.4°
C4	C5	O5	109.5°	109.5°
C4	C5	H51	109.5°	109.4°
C4	C5	H52	109.5°	109.5°
O5	C5	H51	109.4°	109.5°
O5	C5	H52	109.4°	109.5°
H51	C5	H52	109.5°	109.5°
O2A	PA	O1A	111.4°	109.5°
O2A	PA	O3A	111.8°	109.5°
O1A	PA	O3A	116.3°	109.5°
PA	O1A	HO1A	109.5°	114.0°
PA	O3A	HO3A	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1P	P	O5	O3P	119.1°	120.0°
O1P	P	O5	O2P	121.1°	120.0°
O1P	P	O3P	O2P	128.0°	120.0°
O1P	P	O5	C5	63.5°	55.0°
O1P	P	O2P	HO2P	0.0°	180.0°
O1P	P	O3P	HO3P	0.0°	60.0°
O5	P	O3P	O2P	116.8°	120.0°
P	O5	C5	C4	150.3°	180.0°
P	O5	C5	H51	89.7°	60.0°
P	O5	C5	H52	30.3°	60.0°
O5	P	O2P	HO2P	116.0°	59.9°
O5	P	O3P	HO3P	115.2°	180.0°
O3P	P	O5	C5	55.6°	175.0°
O3P	P	O2P	HO2P	127.0°	60.1°
O2P	P	O5	C5	175.5°	65.0°
O2P	P	O3P	HO3P	128.0°	60.0°
C2	C1	O1	O4	119.5°	118.1°
C2	C1	O1	H1	118.6°	121.0°
C2	C1	O4	H1	118.7°	119.5°
C2	C1	O1	PA	142.4°	150.4°
C1	C2	O2	C3	110.5°	112.9°
C1	C2	O2	H2	125.8°	123.6°
C1	C2	C3	H2	125.0°	118.2°
C1	C2	O2	HO2	180.0°	61.4°
C1	C2	C3	O3	166.3°	152.1°
C1	C2	C3	C4	45.0°	34.2°
C1	C2	C3	H3	78.1°	83.8°
C2	C1	O4	C4	7.1°	1.7°
O1	C1	O4	H1	118.7°	120.9°
O1	C1	C2	O2	34.6°	22.7°
O1	C1	C2	C3	154.0°	140.9°
O1	C1	C2	H2	83.4°	100.9°
O1	C1	O4	C4	129.8°	117.9°
C1	O1	PA	O2A	166.7°	55.0°
C1	O1	PA	O1A	50.2°	65.0°
C1	O1	PA	O3A	75.9°	175.0°
O4	C1	O1	PA	98.1°	91.5°
O4	C1	C2	O2	84.9°	96.8°
O4	C1	C2	C3	34.5°	21.4°
O4	C1	C2	H2	157.1°	139.6°
C1	O4	C4	C3	22.3°	24.4°
C1	O4	C4	C5	143.8°	143.3°
C1	O4	C4	H4	98.6°	94.5°
H1	C1	O1	PA	23.7°	29.5°
H1	C1	C2	O2	153.2°	143.7°
H1	C1	C2	C3	87.3°	98.1°
H1	C1	C2	H2	35.3°	20.1°
H1	C1	O4	C4	111.6°	121.2°
O1	PA	O2A	O1A	113.0°	120.0°
O1	PA	O2A	O3A	114.9°	120.0°
O1	PA	O1A	O3A	121.3°	120.0°
O1	PA	O1A	HO1A	109.0°	60.0°
O1	PA	O3A	HO3A	110.1°	180.0°
O2	C2	C3	H2	118.3°	123.6°
O2	C2	C3	O3	49.6°	33.8°
O2	C2	C3	C4	71.6°	84.1°
O2	C2	C3	H3	165.3°	158.0°
C3	C2	O2	HO2	69.5°	174.3°
C2	C3	O3	C4	112.5°	111.6°
C2	C3	O3	H3	123.9°	124.2°
C2	C3	C4	H3	123.5°	118.0°
C2	C3	O3	HO3	180.0°	61.4°
C2	C3	C4	O4	44.0°	36.4°
C2	C3	C4	C5	165.3°	155.3°
C2	C3	C4	H4	77.1°	82.5°
H2	C2	O2	HO2	54.2°	62.2°
H2	C2	C3	O3	68.7°	89.7°
H2	C2	C3	C4	170.1°	152.3°
H2	C2	C3	H3	46.9°	34.4°
O3	C3	C4	H3	115.6°	124.1°
O3	C3	C4	O4	164.9°	154.4°
O3	C3	C4	C5	73.8°	86.7°
O3	C3	C4	H4	43.8°	35.5°
C4	C3	O3	HO3	67.5°	173.0°
C3	C4	O4	C5	121.5°	118.9°
C3	C4	O4	H4	120.9°	118.9°
C3	C4	C5	H4	120.8°	122.2°
C3	C4	C5	O5	55.9°	175.0°
C3	C4	C5	H51	175.9°	55.0°
C3	C4	C5	H52	64.1°	65.0°
H3	C3	O3	HO3	56.1°	62.8°
H3	C3	C4	O4	79.5°	81.5°
H3	C3	C4	C5	41.8°	37.4°
H3	C3	C4	H4	159.5°	159.6°
O4	C4	C5	H4	121.0°	122.1°
O4	C4	C5	O5	62.2°	69.3°
O4	C4	C5	H51	57.8°	170.7°
O4	C4	C5	H52	177.8°	50.7°
C4	C5	O5	H51	120.0°	120.0°
C4	C5	O5	H52	120.0°	120.0°
C4	C5	H51	H52	120.0°	120.0°
H4	C4	C5	O5	176.7°	52.8°
H4	C4	C5	H51	63.3°	67.2°
H4	C4	C5	H52	56.8°	172.8°
O5	C5	H51	H52	120.0°	120.0°
O2A	PA	O1A	O3A	129.7°	120.0°
O2A	PA	O1A	HO1A	0.0°	180.0°
O2A	PA	O3A	HO3A	0.0°	60.0°
O1A	PA	O3A	HO3A	129.5°	60.0°
O3A	PA	O1A	HO1A	129.7°	59.9°

Definition date:	2011-01-07
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	3Q88