Table IV.
Calculated for the Set of Dielectrics and for Different Proposed Mutations in the Wild Type Lip Aa
| Ionized to non polar mutations of the wild type Lip A | ||
| Structures | ||
| 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 | ||
| 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 | ||
| Variant XI | −10.30b | |
| Lys32Ala | −10.71 | |
| Asp133Ala | −11.08 | |
| Lys70Ala | −11.16 | |
| Lys23Ala//Lys70Ala | −11.32 |
Energies in kcal/mol.
Taken from Ref. 69.