Figure 3
Boxplots for the average values of the electrostatic potential around chosen atom positions calculated for experimental (Exp) and scaled electrostatic potential maps (eTAAM and eIAM) for lysozyme and proteinase K. For details of the sampling and the choice of the atoms, see Section S4. All of the atom names follow the standard nomenclature present in the PDB structures of the proteins, except for the O atoms in the water molecules, which are here named Owat. |