V3M

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	sing	1.43Å	1.38Å
O5	C5	sing	1.43Å	1.44Å
C5	C4	sing	1.53Å	1.52Å
C4	C3	sing	1.54Å	1.49Å
C4	O4	sing	1.44Å	1.44Å
O4	C1	sing	1.44Å	1.43Å
C1	C2	sing	1.55Å	1.52Å
C2	C3	sing	1.55Å	1.52Å
C2	F2	sing	1.40Å	1.39Å
C3	O3	sing	1.43Å	1.25Å
O5	HO5	sing	0.97Å	0.95Å
C5	H51	sing	1.09Å	1.10Å
C5	H52	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
O1	HO1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	O4	105.1°	110.6°
O1	C1	C2	110.0°	110.6°
O1	C1	H1	113.0°	110.5°
C1	O1	HO1	109.5°	114.0°
O5	C5	C4	110.3°	109.5°
C5	O5	HO5	109.5°	114.0°
O5	C5	H51	109.3°	109.5°
O5	C5	H52	109.2°	109.4°
C5	C4	C3	114.4°	109.9°
C5	C4	O4	116.4°	109.9°
C4	C5	H51	109.2°	109.5°
C4	C5	H52	109.3°	109.5°
C5	C4	H4	107.3°	109.9°
C3	C4	O4	102.5°	107.3°
C4	C3	C2	109.4°	104.2°
C4	C3	O3	106.9°	110.5°
C3	C4	H4	107.7°	109.9°
C4	C3	H3	110.2°	110.5°
C4	O4	C1	111.1°	107.0°
O4	C4	H4	108.3°	110.0°
O4	C1	C2	105.6°	103.5°
O4	C1	H1	112.0°	110.7°
C1	C2	C3	103.4°	102.1°
C1	C2	F2	110.1°	110.9°
C2	C1	H1	110.8°	110.7°
C1	C2	H2	110.3°	110.8°
C3	C2	F2	110.1°	110.9°
C2	C3	O3	106.2°	110.5°
C3	C2	H2	110.3°	110.9°
C2	C3	H3	109.8°	110.5°
F2	C2	H2	112.2°	110.8°
O3	C3	H3	114.2°	110.5°
C3	O3	HO3	109.5°	114.0°
H51	C5	H52	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	O4	C4	143.6°	158.6°
O1	C1	O4	C2	116.3°	118.5°
O1	C1	O4	H1	123.0°	122.9°
O1	C1	C2	H1	125.6°	122.9°
O1	C1	C2	C3	126.0°	155.5°
O1	C1	C2	F2	116.3°	86.3°
O1	C1	C2	H2	8.1°	37.3°
O5	C5	C4	H51	120.1°	120.0°
O5	C5	C4	H52	120.1°	120.0°
O5	C5	C4	C3	175.3°	175.0°
O5	C5	C4	O4	65.4°	67.2°
O5	C5	H51	H52	119.6°	119.9°
O5	C5	C4	H4	56.0°	54.0°
C5	C4	C3	O4	126.9°	119.5°
C5	C4	C3	H4	119.1°	121.0°
C5	C4	O4	H4	120.8°	121.1°
C5	C4	O4	C1	96.5°	92.9°
C5	C4	C3	C2	107.4°	117.4°
C5	C4	C3	O3	138.1°	123.9°
C4	C5	O5	HO5	180.0°	180.0°
C4	C5	H51	H52	119.6°	120.0°
C5	C4	C3	H3	13.5°	1.3°
C3	C4	O4	H4	113.6°	119.4°
C3	C4	O4	C1	29.1°	26.6°
C4	C3	C2	C1	4.1°	20.8°
C4	C3	C2	O3	115.0°	118.7°
C4	C3	C2	H3	121.1°	118.7°
C4	C3	C2	F2	113.5°	139.1°
C4	C3	O3	H3	122.1°	122.6°
C3	C4	C5	H51	64.6°	65.0°
C3	C4	C5	H52	55.2°	55.0°
C4	C3	C2	H2	122.1°	97.3°
C4	C3	O3	HO3	180.0°	180.0°
C4	O4	C1	C2	27.3°	40.1°
O4	C4	C3	C2	19.5°	2.1°
O4	C4	C3	O3	95.1°	116.6°
O4	C4	C5	H51	54.8°	52.9°
O4	C4	C5	H52	174.5°	172.8°
C4	O4	C1	H1	93.3°	78.5°
O4	C4	C3	H3	140.3°	120.7°
O4	C1	C2	H1	121.5°	118.6°
O4	C1	C2	C3	13.1°	37.0°
O4	C1	C2	F2	130.8°	155.2°
C1	O4	C4	H4	142.7°	146.0°
O4	C1	C2	H2	104.8°	81.2°
O4	C1	O1	HO1	180.0°	61.5°
C1	C2	C3	F2	117.7°	118.2°
C1	C2	C3	H2	118.0°	118.1°
C1	C2	F2	H2	123.3°	123.6°
C1	C2	C3	O3	110.9°	139.5°
C1	C2	C3	H3	125.2°	97.8°
C2	C1	O1	HO1	66.8°	175.5°
C3	C2	F2	H2	123.3°	123.7°
C2	C3	O3	H3	121.1°	122.6°
C2	C3	C4	H4	133.5°	121.6°
C3	C2	C1	H1	108.4°	81.6°
C2	C3	O3	HO3	63.3°	65.3°
F2	C2	C3	O3	131.5°	102.2°
F2	C2	C1	H1	9.3°	36.7°
F2	C2	C3	H3	7.5°	20.4°
O3	C3	C4	H4	18.9°	2.9°
O3	C3	C2	H2	7.1°	21.4°
HO5	O5	C5	H51	59.9°	59.9°
HO5	O5	C5	H52	59.9°	60.0°
H51	C5	C4	H4	176.1°	174.0°
H52	C5	C4	H4	64.1°	66.0°
H4	C4	C3	H3	105.7°	119.8°
H1	C1	C2	H2	133.7°	160.3°
H1	C1	O1	HO1	57.6°	61.5°
H2	C2	C3	H3	116.8°	144.0°
H3	C3	O3	HO3	57.8°	57.3°

Release date:	2020-07-01
Definition date:	2020-06-20
Last modified:	2024-09-27
Release status:	REL
Processing site:	RCSB
Derived from:	1S2D