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. Author manuscript; available in PMC: 2015 Jul 17.
Published in final edited form as: Proteins. 2009 Nov 15;77(3):670–684. doi: 10.1002/prot.22481

Table IV.

Calculated ΔGfoldelec for the Set of Dielectrics εp=40 and εeff=40 for Different Proposed Mutations in the Wild Type Lip Aa

Ionized to non polar mutations of the wild type Lip A
Structures
ΔGfoldelec
Wild type −7.62b
Arg142Ala −9.27
Lys23Ala −9.61
Lys70Ala −9.65
Lys88Ala −9.80
Arg107Ala −10.15
Arg33Ala −10.31
Lys23Ala//Arg33Ala −10.64
Lys23Ala//Arg33Ala//Arg107Ala −12.43
Non polar to ionized mutations of the wild type Lip A
Structures
ΔGfoldelec
Wild type −7.62b
Ala38Asp −8.53
Ala132Asp −8.96
Ala105Asp −9.39
Ala15Asp −9.52
Ala75Asp −9.77
Ala81Asp −9.97
Ala20Asp −10.78
Ala68Asp −10.89
Ala146Asp −11.03
Ala97Asp −11.21
Ala113Asp −11.63
Charged to non polar mutations of the most stable mutant (variant XI) of Lip A
Structures
ΔGfoldelec
Variant XI −10.30b
Lys32Ala −10.71
Asp133Ala −11.08
Lys70Ala −11.16
Lys23Ala//Lys70Ala −11.32
a

Energies in kcal/mol.

b

Taken from Ref. 69.