JVA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3P	P	doub	1.48Å	1.51Å
O2P	P	sing	1.61Å	1.51Å
P	O1P	sing	1.61Å	1.52Å
P	C7	sing	1.82Å	1.85Å
C7	C1	sing	1.53Å	1.41Å
C1	O5	sing	1.43Å	1.54Å
C1	C2	sing	1.53Å	1.58Å
O5	C5	sing	1.43Å	1.52Å
C5	C6	sing	1.53Å	1.52Å
C5	C4	sing	1.53Å	1.58Å
C6	O6	sing	1.43Å	1.39Å
C3	C2	sing	1.53Å	1.52Å
C3	C4	sing	1.53Å	1.51Å
C3	O3	sing	1.43Å	1.48Å
C2	F2	sing	1.40Å	1.36Å
C4	O4	sing	1.43Å	1.46Å
C1	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C7	H8	sing	1.09Å	1.10Å
C7	H9	sing	1.09Å	1.10Å
O3	H10	sing	0.97Å	0.95Å
O1P	H11	sing	0.97Å	0.95Å
O2P	H12	sing	0.97Å	0.95Å
O4	H13	sing	0.97Å	0.95Å
O6	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3P	P	O2P	105.9°	109.5°
O3P	P	O1P	113.5°	109.4°
O3P	P	C7	107.6°	109.5°
O2P	P	O1P	109.5°	109.5°
O2P	P	C7	107.6°	109.5°
P	O2P	H12	109.5°	114.0°
O1P	P	C7	112.4°	109.5°
P	O1P	H11	109.5°	114.0°
P	C7	C1	125.9°	109.5°
P	C7	H8	105.2°	109.5°
P	C7	H9	105.2°	109.5°
C7	C1	O5	110.1°	109.4°
C7	C1	C2	115.4°	109.5°
C7	C1	H1	107.2°	109.5°
C1	C7	H8	105.2°	109.5°
C1	C7	H9	105.2°	109.5°
O5	C1	C2	112.4°	109.4°
C1	O5	C5	110.1°	114.1°
O5	C1	H1	105.7°	109.5°
C1	C2	C3	108.2°	109.2°
C1	C2	F2	107.1°	109.5°
C2	C1	H1	105.3°	109.5°
C1	C2	H2	105.4°	109.5°
O5	C5	C6	120.2°	109.5°
O5	C5	C4	112.8°	109.5°
O5	C5	H5	105.8°	109.5°
C6	C5	C4	105.7°	109.5°
C5	C6	O6	110.4°	109.5°
C6	C5	H5	105.9°	109.4°
C5	C6	H6	109.3°	109.5°
C5	C6	H7	109.2°	109.5°
C5	C4	C3	110.7°	109.1°
C5	C4	O4	111.7°	109.5°
C5	C4	H4	105.7°	109.6°
C4	C5	H5	105.3°	109.5°
O6	C6	H6	109.2°	109.5°
O6	C6	H7	109.2°	109.5°
C6	O6	H14	109.5°	114.0°
C2	C3	C4	112.9°	109.1°
C2	C3	O3	113.5°	109.6°
C3	C2	F2	121.1°	109.5°
C3	C2	H2	106.0°	109.6°
C2	C3	H3	105.7°	109.6°
C4	C3	O3	112.1°	109.5°
C3	C4	O4	114.8°	109.5°
C4	C3	H3	105.8°	109.5°
C3	C4	H4	106.4°	109.5°
O3	C3	H3	106.2°	109.6°
C3	O3	H10	109.5°	113.9°
F2	C2	H2	108.0°	109.5°
O4	C4	H4	107.0°	109.6°
C4	O4	H13	109.5°	113.9°
H6	C6	H7	109.5°	109.4°
H8	C7	H9	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3P	P	O2P	O1P	122.7°	120.0°
O3P	P	O2P	C7	114.8°	120.0°
O3P	P	O1P	C7	122.3°	120.0°
O3P	P	C7	C1	179.3°	55.0°
O3P	P	C7	H8	57.1°	175.0°
O3P	P	C7	H9	58.5°	65.0°
O3P	P	O1P	H11	0.0°	180.0°
O3P	P	O2P	H12	0.0°	60.0°
O2P	P	O1P	C7	119.6°	120.0°
O2P	P	C7	C1	65.6°	175.0°
O2P	P	C7	H8	56.6°	65.0°
O2P	P	C7	H9	172.2°	55.0°
O2P	P	O1P	H11	118.1°	60.0°
O1P	P	C7	C1	55.1°	65.0°
O1P	P	C7	H8	177.3°	55.0°
O1P	P	C7	H9	67.1°	175.0°
O1P	P	O2P	H12	122.7°	60.0°
P	C7	C1	H8	122.2°	120.0°
P	C7	C1	H9	122.2°	120.0°
P	C7	C1	O5	157.3°	65.0°
P	C7	C1	C2	74.2°	175.1°
P	C7	C1	H1	42.8°	55.0°
P	C7	H8	H9	112.7°	120.0°
C7	P	O1P	H11	122.3°	60.0°
C7	P	O2P	H12	114.8°	180.0°
C7	C1	O5	C2	130.1°	119.9°
C7	C1	O5	H1	115.5°	120.0°
C7	C1	C2	H1	118.0°	120.0°
C7	C1	O5	C5	74.6°	58.9°
C7	C1	C2	C3	70.0°	62.4°
C7	C1	C2	F2	157.8°	177.7°
C7	C1	C2	H2	43.0°	57.6°
C1	C7	H8	H9	112.6°	120.0°
O5	C1	C2	H1	114.6°	120.1°
C1	O5	C5	C6	178.6°	178.9°
C1	O5	C5	C4	52.8°	61.1°
O5	C1	C2	C3	57.3°	57.6°
O5	C1	C2	F2	74.8°	62.3°
O5	C1	C2	H2	170.3°	177.5°
C1	O5	C5	H5	61.8°	59.0°
O5	C1	C7	H8	35.1°	175.0°
O5	C1	C7	H9	80.4°	55.0°
C2	C1	O5	C5	55.5°	61.1°
C1	C2	C3	F2	124.1°	119.9°
C1	C2	C3	H2	112.6°	119.9°
C1	C2	C3	C4	57.8°	57.0°
C1	C2	C3	O3	173.3°	176.8°
C1	C2	F2	H2	113.0°	120.1°
C1	C2	C3	H3	57.4°	62.9°
C2	C1	C7	H8	163.6°	55.1°
C2	C1	C7	H9	48.0°	64.9°
O5	C5	C6	C4	129.0°	120.0°
O5	C5	C6	H5	119.6°	119.9°
O5	C5	C4	H5	114.9°	120.0°
O5	C5	C6	O6	41.4°	65.0°
O5	C5	C4	C3	53.3°	57.6°
O5	C5	C4	O4	177.5°	177.5°
C5	O5	C1	H1	169.9°	178.8°
O5	C5	C4	H4	61.5°	62.3°
O5	C5	C6	H6	78.7°	175.0°
O5	C5	C6	H7	161.6°	55.0°
C6	C5	C4	H5	111.8°	120.0°
C5	C6	O6	H6	120.2°	120.0°
C5	C6	O6	H7	120.1°	120.0°
C6	C5	C4	C3	173.5°	177.6°
C6	C5	C4	O4	44.3°	62.5°
C6	C5	C4	H4	71.7°	57.7°
C5	C6	H6	H7	119.6°	120.0°
C5	C6	O6	H14	180.0°	180.0°
C4	C5	C6	O6	87.6°	175.0°
C5	C4	C3	C2	56.2°	57.0°
C5	C4	C3	O4	127.6°	119.9°
C5	C4	C3	H4	114.3°	120.0°
C5	C4	C3	O3	174.1°	176.9°
C5	C4	O4	H4	115.2°	120.2°
C5	C4	C3	H3	58.8°	62.9°
C4	C5	C6	H6	152.3°	55.0°
C4	C5	C6	H7	32.5°	65.0°
C5	C4	O4	H13	180.0°	179.7°
O6	C6	C5	H5	161.0°	54.9°
O6	C6	H6	H7	119.6°	120.0°
C2	C3	C4	O3	129.6°	119.9°
C2	C3	C4	H3	115.1°	119.9°
C2	C3	O3	H3	115.6°	120.2°
C3	C2	F2	H2	122.3°	120.2°
C2	C3	C4	O4	176.2°	176.9°
C3	C2	C1	H1	171.9°	177.6°
C2	C3	C4	H4	58.1°	63.0°
C2	C3	O3	H10	180.0°	60.0°
C4	C3	O3	H3	115.0°	120.2°
C4	C3	C2	F2	66.3°	62.9°
C3	C4	O4	H4	117.8°	120.1°
C4	C3	C2	H2	170.4°	176.9°
C3	C4	C5	H5	61.7°	62.4°
C4	C3	O3	H10	50.6°	179.6°
C3	C4	O4	H13	53.0°	60.1°
O3	C3	C2	F2	62.6°	57.0°
O3	C3	C4	O4	46.6°	63.3°
O3	C3	C2	H2	60.7°	63.3°
O3	C3	C4	H4	71.5°	56.9°
F2	C2	C1	H1	39.8°	57.7°
F2	C2	C3	H3	178.6°	177.2°
O4	C4	C3	H3	68.7°	57.0°
O4	C4	C5	H5	67.6°	57.5°
H1	C1	C2	H2	75.0°	62.4°
H1	C1	C7	H8	79.4°	65.0°
H1	C1	C7	H9	165.0°	175.0°
H2	C2	C3	H3	55.2°	57.0°
H3	C3	C4	H4	173.2°	177.1°
H3	C3	O3	H10	64.4°	60.2°
H4	C4	C5	H5	176.5°	177.7°
H4	C4	O4	H13	64.8°	60.1°
H5	C5	C6	H6	40.9°	65.1°
H5	C5	C6	H7	78.8°	174.9°
H6	C6	O6	H14	59.8°	60.0°
H7	C6	O6	H14	59.9°	60.0°

Release date:	2019-07-31
Definition date:	2018-10-01
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	6MLW