From: The Role of Salt Bridge Formation in Glucagon: An Experimental and Theoretical Study of Glucagon Analogs and Peptide Fragments of Glucagon
(kcal/mol)
Energy (3-21G)
ΔE(3-21G)
Energy(6-31G*)
ΔE(6-31G*)
Solvation Energy
Cyclic
−2112.56024
0.0
−2124.34392
−51.89
Extended
−2112.54067
12.28
−2124.33707
4.30
−21.66