Skip to Main Content
TABLE I

Calculated Side Chain Transfer Free Energies

Residue
Water to DOPC
 Interface (kJ/mol)
Water to Center of DOPC
 Membrane (kJ/mol)
Leu −14.1 −15.2 
Ile −20.6 −22.1 
Val −12.2 −13.8 
Phe −14.9 −12.8 
Ala −6.8 −8.4 
Trp −21.6 −4.9 
Met −10.5 −4.4 
Cys −6.6 −3.4 
Tyr −14.0 6.6 
Thr −4.2 13.9 
Ser −0.7 15.8 
Gln −8.9 20.2 
Lys −18.6a 19.9b 
Asn −6.5 23.9 
Glu −1.68b 21.1b 
Asp 1.6b 31.0b 
Arg −21.2a 58.1c 
Residue
Water to DOPC
 Interface (kJ/mol)
Water to Center of DOPC
 Membrane (kJ/mol)
Leu −14.1 −15.2 
Ile −20.6 −22.1 
Val −12.2 −13.8 
Phe −14.9 −12.8 
Ala −6.8 −8.4 
Trp −21.6 −4.9 
Met −10.5 −4.4 
Cys −6.6 −3.4 
Tyr −14.0 6.6 
Thr −4.2 13.9 
Ser −0.7 15.8 
Gln −8.9 20.2 
Lys −18.6a 19.9b 
Asn −6.5 23.9 
Glu −1.68b 21.1b 
Asp 1.6b 31.0b 
Arg −21.2a 58.1c 
a

Residue is charged at this location.

b

Residue is neutral at this location.

c

Charged and neutral forms are equally likely.

Close Modal

or Create an Account

Close Modal
Close Modal