TABLE 1.

The cavity analysis of the chitobiose interaction with the WT OmpA in loop region L (1-2-3 loops) and region B (loop 4), ordered by total contribution to the binding energy

Residues affected by various mutations are indicated.

^‡ The residues on the OmpA were selected to be within 10 Å of the chitobiose.

^† The total binding energy includes contributions from residues not listed with binding energies < 1 kcal/mol.

^§ The individual components of the energy (van der Waals, coulombic, and hydrogen bonding) are shown in kcal/mol.

^ζ The residues to be alanized in a specific mutant are labeled.