Table 1: VEDT and δ-tocopherol VTS results.

[Native ligand] Protein

PDB Code

VEDT Result

δ-tocopherol Result

[Mon]Estrogen receptor beta

1NDE

Hit*

Not a Hit

[ZEB]Cytidine deaminase

1CTU

Hit*

Hit

[MOF]Progesterone receptor

1SR7

Hit*

Hit

[Proflavin]Alpha-thrombin

1BCU

Hit

Not a Hit

[CL3]Cell division protein zipA

1Y2G

Hit

Not a Hit

[D91]Coagulation factor x- heavy chain

1WU1

Hit

Not a Hit

[SRL]Orphan nuclear receptor pxr

1ILH

Hit

Not a Hit

[_U]Cytidine deaminase

1AF2

Hit

Hit

[TTB]Retinoic acid receptor beta

1XAP

Hit

Not a Hit

[442]Thyroid hormone receptor beta-1

1R6G

Hit

Not a Hit

[L79]Retinoic acid receptor rxr-alpha

1RDT

Hit

Not a Hit

[STR]Igg1-kappa db3 fab (light chain)

1DBB

Hit

Not a Hit

[E1P]Peptidyl-prolyl cis-trans isomerase a

1W8M

Hit

Not a Hit

[AO5]Methionine aminopeptidase 2

1R58

Hit

Not a Hit

[SDK]Cathepsin K

1AU0

Hit

Not a Hit

[FSN]Thrombin light chain

1OYT

Hit

Not a Hit

[R11]Coagulation factor x

1G2M

Hit

Not a Hit

[HEM]albumin (no iron)

1N5U

Hit

Not a Hit

[ANO]Igg1-kappa db3 fab (light chain)

1DBK

Hit

Not a Hit

[L10]Mitogen-activated protein kinase 14

1W82

Hit

Not a Hit

[AB8]Integrin alpha-I

1XDG

Hit

Not a Hit

[FPP]Protein farnesyltransferase

1FPP

Hit

Not a Hit

[IGN]Prothrombin

1K21

Hit

Not a Hit

[DHZ]Cytidine deaminase

1CTT

Hit

Not a Hit

[MSC]HIV-1 protease

1D4J

Hit

Not a Hit

[L08]Integrin alpha-I

1RD4

Hit

Not a Hit

[CI1031(Z34)]Coagulation factor XA

1FJS

Hit

Not a Hit

[BLN]Cathepsin s

1MS6

Hit

Not a Hit

[AIH]Estrogen receptor

1XP1

Hit

Not a Hit

[CMB]Blood coagulation factor xa

1LPZ

Hit

Not a Hit

[RTR]Coagulation factor xa- heavy chain

1NFY

Hit

Not a Hit

[EST]Estradiol receptor

1QKT

Hit

Not a Hit

[STU]Tyrosine-protein kinase zap-70

1U59

Hit

Not a Hit

[Palmitate]Lipocalin beta-lactoglobulin

1B0O

Hit

Hit

[AIU]Estrogen receptor

1XP6

Hit

Not a Hit

[AAY]Integrin alpha-I

1XDD

Hit

Not a Hit

[HYC]Type117 beta-hydroxysteroid dehydrogenase

1I5R

Hit

Not a Hit

[CIU]Epoxide hydrolase

1EK1

Hit

Not a Hit

[165]Prothrombin

1SB1

Hit

Hit

[CIU]Epoxide hydrolase 2-cytoplasmic

1VJ5

Hit

Hit

[HYF]Orphan nuclear receptor pxr

1M13

Hit

Hit

[337]Map kinase 14

3CTQ

Hit

Hit

Hit: proteins into which an MOI docked with a score that outperformed the top 200 molecules of the calibration set; Hit*: top hits (proteins into which an MOI docked with a score that outperformed the top 20 molecules of the calibration set).