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Table 1 Sequence parameter names and formulae†

From: Large-scale experimental studies show unexpected amino acid effects on protein expression and solubility in vivo in E. coli

Variable Name

Parameter

Parameter Formula

x(e.g., a, c)

Fractional content of residue x

(count of residue x)/(chain length)

x b (e.g., cb, db)

predicted buried amino acid fraction

(number of residue x predicted buried by PHD/PROF)/(chain length)

x e (e.g., de, ee)

predicted exposed amino acid fraction

(number of residue x predicted exposed by PHD/PROF)/(chain length)

gravy

GRAVY/hydrophobicity

mean residue hydrophobicity

sce

sidechain entropy

mean sidechain entropy of all residues

esce

predicted exposed sidechain entropy

mean sidechain entropy of residues predicted exposed by PHD/PROF

numcharge

number of charged residues

R + K + D + E

netcharge

net charge

R + K - D - E

absnetcharge

absolute net charge

|R + K - D - E|

fracnumcharge

fraction of charged residues

(R + D + D + E)/chain length

fracnetcharge

fractional net charge

(R + K - D - E)/(chain length)

fracabsnetcharge

fractional absolute net charge

|R + K - D - E|/(chain length)

diso

fraction predicted disordered residues

(number of amino acids predicted disordered by DISOPRED2)/(chain length)

length

chain length

number of residues

pi

isoelectric point

ExPASy pI (http://ca.expasy.org/tools/pi_tool.html)

  1. † Sequence parameters analyzed for correlation with expression, solubility, and usability. Sixty amino acid variables were considered, including the fractional content of each amino acid as well as this content divided into separate parameters for residues predicted by the program PHD/PROF to be solvent-exposed vs. buried. Twelve compound variables were also considered, including hydrophobicity (GRAVY) [32], mean side-chain entropy (SCE) [39] for all residues or only those predicted by PHD/PROF [61, 80, 81] to be surface-exposed, several electrostatic charge variables, the fraction of residues predicted by the program DISOPRED2 [78] to be disordered, isoelectric point, and construct chain length.