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Table 3 Energies (au), binding energy (kcal/mol) of complexes 1 and 2

From: The Role of Salt Bridge Formation in Glucagon: An Experimental and Theoretical Study of Glucagon Analogs and Peptide Fragments of Glucagon

Complex  
Aspartic-Lysine complex (1a) −853.69864
Aspartate ion-lysine ion (1b) −853.68014
Glutamic-lysine complex (2a) −892.73339
Glutamate ion-lysine ion (2b) −892.70054
Complex Binding energy Binding energy + Solvation energy
1a −13.6 −25.4
1b: vs. ions −121.2 −7.0
1b: vs. neutral species −2.0 −13.7
2a −12.9 −24.4
2b: vs. ions −119.9 −4.6
2b: vs. neutral species −4.0 −13.4