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Table 1 Filtered peptide sequences generated from KRASG12C and their predictive physiochemical characteristics, propensity of in vivo aggregation, and conformationally stable energy values

From: De Novo Rational design of peptide-based covalent inhibitors via mapping of complementary binding site residues – technical protocol and case study on KRASG12C and BTK481C

Peptide ID

Peptide Sequence

SVM Score

Toxicity prediction

Hydrophobicity

Amphipathicity

pI

Mol. Wt

Na4vSS

sOPEP Energy

18

RLKDH

-1.02

Non-Toxin

-0.69

1.51

9.10

667.83

-76.70

-1.91

51

KVHDR

-1.02

Non-Toxin

-0.69

1.51

9.10

653.80

-73.20

-2.17

40

HVKDR

-1.00

Non-Toxin

-0.69

1.51

9.10

653.80

-72.40

-1.54

17

KLHDR

-0.98

Non-Toxin

-0.69

1.51

9.10

667.83

-77.50

-2.19

52

HLKDR

-0.97

Non-Toxin

-0.69

1.51

9.10

667.83

-76.70

-1.55

13

RVKDH

-0.92

Non-Toxin

-0.69

1.51

9.10

653.80

-72.40

-1.78