GRX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1P	P	doub	1.48Å	1.46Å
P	O2P	sing	1.61Å	1.49Å
P	O3P	sing	1.61Å	1.49Å
P	C7	sing	1.82Å	1.82Å
C7	F1	sing	1.40Å	1.43Å
C7	C1	sing	1.53Å	1.53Å
C1	O5	sing	1.43Å	1.40Å
C1	C2	sing	1.53Å	1.58Å
O5	C5	sing	1.43Å	1.45Å
C5	C6	sing	1.53Å	1.53Å
C5	C4	sing	1.53Å	1.51Å
C6	O6	sing	1.43Å	1.47Å
C4	O4	sing	1.43Å	1.44Å
C4	C3	sing	1.53Å	1.51Å
C3	O3	sing	1.43Å	1.46Å
C3	C2	sing	1.53Å	1.50Å
C2	O2	sing	1.43Å	1.45Å
O6	H6	sing	0.97Å	0.95Å
O2P	H2P	sing	0.97Å	0.95Å
O3P	H3P	sing	0.97Å	0.95Å
C7	H7	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H61C	sing	1.09Å	1.10Å
C6	H62C	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
O4	HA	sing	0.97Å	0.95Å
C3	H3	sing	1.09Å	1.10Å
O3	HB	sing	0.97Å	0.95Å
O2	HC	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1P	P	O2P	116.4°	109.5°
O1P	P	O3P	115.3°	109.5°
O1P	P	C7	102.1°	109.5°
O2P	P	O3P	113.6°	109.5°
O2P	P	C7	104.2°	109.5°
P	O2P	H2P	109.5°	114.0°
O3P	P	C7	102.7°	109.5°
P	O3P	H3P	109.5°	114.1°
P	C7	F1	109.7°	109.5°
P	C7	C1	116.4°	109.5°
P	C7	H7	105.3°	109.5°
F1	C7	C1	107.5°	109.5°
F1	C7	H7	109.6°	109.5°
C7	C1	O5	107.7°	109.5°
C7	C1	C2	117.2°	109.5°
C1	C7	H7	108.2°	109.5°
C7	C1	H1	106.0°	109.5°
O5	C1	C2	112.4°	109.4°
C1	O5	C5	114.1°	114.1°
O5	C1	H1	107.6°	109.4°
C1	C2	C3	109.4°	109.2°
C1	C2	O2	113.8°	109.5°
C2	C1	H1	105.5°	109.5°
C1	C2	H2	106.5°	109.5°
O5	C5	C6	106.6°	109.5°
O5	C5	C4	111.2°	109.4°
O5	C5	H5	109.5°	109.5°
C6	C5	C4	112.3°	109.5°
C5	C6	O6	109.2°	109.5°
C6	C5	H5	108.5°	109.5°
C5	C6	H61C	109.6°	109.4°
C5	C6	H62C	109.6°	109.4°
C5	C4	O4	107.1°	109.5°
C5	C4	C3	106.6°	109.1°
C4	C5	H5	108.7°	109.5°
C5	C4	H4	110.3°	109.5°
C6	O6	H6	109.5°	114.0°
O6	C6	H61C	109.6°	109.5°
O6	C6	H62C	109.5°	109.5°
O4	C4	C3	111.1°	109.5°
O4	C4	H4	111.4°	109.5°
C4	O4	HA	109.5°	114.0°
C4	C3	O3	107.0°	109.5°
C4	C3	C2	111.4°	109.0°
C3	C4	H4	110.2°	109.6°
C4	C3	H3	109.3°	109.5°
O3	C3	C2	109.7°	109.5°
O3	C3	H3	110.0°	109.5°
C3	O3	HB	109.5°	114.0°
C3	C2	O2	111.4°	109.5°
C3	C2	H2	107.4°	109.5°
C2	C3	H3	109.4°	109.6°
O2	C2	H2	108.0°	109.6°
C2	O2	HC	109.5°	114.0°
H61C	C6	H62C	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1P	P	O2P	O3P	137.4°	120.0°
O1P	P	O2P	C7	111.6°	120.0°
O1P	P	O3P	C7	110.2°	120.0°
O1P	P	C7	F1	64.1°	180.0°
O1P	P	C7	C1	173.6°	60.0°
O1P	P	O2P	H2P	0.0°	180.0°
O1P	P	O3P	H3P	0.0°	60.0°
O1P	P	C7	H7	53.7°	60.0°
O2P	P	O3P	C7	112.0°	120.0°
O2P	P	C7	F1	174.3°	60.0°
O2P	P	C7	C1	52.0°	60.0°
O2P	P	O3P	H3P	137.9°	60.0°
O2P	P	C7	H7	67.8°	180.0°
O3P	P	C7	F1	55.6°	60.0°
O3P	P	C7	C1	66.7°	180.0°
O3P	P	O2P	H2P	137.4°	60.0°
O3P	P	C7	H7	173.5°	60.0°
P	C7	F1	C1	127.5°	120.0°
P	C7	F1	H7	115.1°	120.0°
P	C7	C1	H7	118.2°	120.0°
P	C7	C1	O5	141.8°	60.0°
P	C7	C1	C2	90.4°	180.0°
C7	P	O2P	H2P	111.6°	60.0°
C7	P	O3P	H3P	110.2°	179.9°
P	C7	C1	H1	26.9°	60.0°
F1	C7	C1	H7	118.3°	120.0°
F1	C7	C1	O5	94.8°	180.0°
F1	C7	C1	C2	33.0°	60.0°
F1	C7	C1	H1	150.4°	60.0°
C7	C1	O5	C2	130.6°	120.0°
C7	C1	O5	H1	113.8°	120.0°
C7	C1	C2	H1	117.6°	120.1°
C7	C1	O5	C5	176.8°	178.9°
C7	C1	C2	C3	174.7°	177.6°
C7	C1	C2	O2	60.0°	62.5°
C7	C1	C2	H2	58.9°	57.7°
O5	C1	C2	H1	116.9°	119.9°
C1	O5	C5	C6	177.2°	178.9°
C1	O5	C5	C4	60.1°	61.1°
O5	C1	C2	C3	49.2°	57.6°
O5	C1	C2	O2	174.4°	177.5°
O5	C1	C7	H7	23.5°	60.1°
O5	C1	C2	H2	66.6°	62.3°
C1	O5	C5	H5	60.0°	58.9°
C2	C1	O5	C5	52.6°	61.1°
C1	C2	C3	C4	53.9°	57.0°
C1	C2	C3	O3	172.2°	176.8°
C1	C2	C3	O2	126.7°	119.9°
C1	C2	C3	H2	115.2°	119.9°
C1	C2	O2	H2	118.1°	120.2°
C2	C1	C7	H7	151.3°	59.9°
C1	C2	C3	H3	67.0°	62.9°
C1	C2	O2	HC	180.0°	180.0°
O5	C5	C6	C4	122.0°	120.0°
O5	C5	C6	H5	117.8°	120.0°
O5	C5	C4	H5	120.6°	120.0°
O5	C5	C6	O6	59.0°	65.0°
O5	C5	C4	O4	180.0°	177.5°
O5	C5	C4	C3	61.1°	57.6°
C5	O5	C1	H1	63.0°	58.9°
O5	C5	C6	H61C	179.0°	175.0°
O5	C5	C6	H62C	60.9°	55.1°
O5	C5	C4	H4	58.6°	62.4°
C6	C5	C4	H5	120.0°	120.0°
C5	C6	O6	H61C	120.0°	120.0°
C5	C6	O6	H62C	120.0°	120.0°
C6	C5	C4	O4	60.6°	62.5°
C6	C5	C4	C3	179.6°	177.6°
C5	C6	O6	H6	180.0°	180.0°
C5	C6	H61C	H62C	120.1°	120.0°
C6	C5	C4	H4	60.7°	57.6°
C4	C5	C6	O6	179.0°	175.0°
C5	C4	O4	C3	116.1°	119.7°
C5	C4	O4	H4	120.7°	120.1°
C5	C4	C3	H4	119.8°	119.9°
C5	C4	C3	O3	180.0°	176.8°
C5	C4	C3	C2	60.0°	57.0°
C4	C5	C6	H61C	59.0°	55.0°
C4	C5	C6	H62C	61.0°	64.9°
C5	C4	O4	HA	180.0°	60.0°
C5	C4	C3	H3	60.9°	63.0°
O6	C6	C5	H5	58.9°	55.0°
O6	C6	H61C	H62C	120.1°	120.0°
O4	C4	C3	H4	123.9°	120.2°
O4	C4	C3	O3	63.7°	63.3°
O4	C4	C3	C2	176.4°	176.9°
O4	C4	C5	H5	59.4°	57.5°
O4	C4	C3	H3	55.4°	56.9°
C4	C3	O3	C2	121.0°	119.6°
C4	C3	O3	H3	118.6°	120.2°
C4	C3	C2	H3	120.9°	119.9°
C4	C3	C2	O2	179.5°	176.9°
C4	C3	C2	H2	61.4°	62.9°
C3	C4	C5	H5	59.5°	62.4°
C3	C4	O4	HA	63.9°	179.7°
C4	C3	O3	HB	180.0°	60.0°
O3	C3	C2	H3	120.7°	120.2°
O3	C3	C2	O2	61.1°	63.2°
O3	C3	C2	H2	57.0°	56.9°
O3	C3	C4	H4	60.3°	56.9°
C3	C2	O2	H2	117.7°	120.2°
C3	C2	C1	H1	67.7°	62.3°
C2	C3	C4	H4	59.7°	62.9°
C2	C3	O3	HB	58.9°	179.5°
C3	C2	O2	HC	55.7°	60.3°
O2	C2	C1	H1	57.6°	57.6°
O2	C2	C3	H3	59.6°	57.0°
H6	O6	C6	H61C	60.0°	60.0°
H6	O6	C6	H62C	60.1°	60.0°
H7	C7	C1	H1	91.3°	180.0°
H1	C1	C2	H2	176.5°	177.8°
H2	C2	C3	H3	177.7°	177.2°
H2	C2	O2	HC	61.9°	59.8°
H5	C5	C6	H61C	61.1°	65.0°
H5	C5	C6	H62C	178.8°	175.0°
H5	C5	C4	H4	179.3°	177.6°
H4	C4	O4	HA	59.4°	60.1°
H4	C4	C3	H3	179.3°	177.1°
H3	C3	O3	HB	61.4°	60.2°

Release date:	2014-07-16
Definition date:	2013-09-09
Last modified:	2020-07-17
Release status:	REL
Processing site:	EBI
Derived from:	4C4S