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. 2015 Sep 4;10(9):e0137113. doi: 10.1371/journal.pone.0137113

Table 4. Amide bridge interaction energies between the two amide amino acids (Asn and Gln).

MP2 /6–311+ G(d,p) CCSD(T) /6–311+ G(d,p)
Interaction Gaseous phase Aqueous phase Gaseous phase Aqueous phase
pairs ΔE s-b Bond ΔE s-b Bond ΔE s-b Bond ΔE s-b Bond
kJ/mol Å kJ/mol Å kJ/mol Å kJ/mol Å
Asn-Asn -61.90 1.884 -9.407 2.102 -69.28 1.862 -13.61 1.984
Asn-Gln -52.57 1.943 -9.254 2.292 -67.80 1.881 -11.78 2.005
Gln-Gln -59.07 1.902 -12.766 2.183 -68.41 1.863 -12.75 1.990