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. 2014 Dec 30;119(4):1443–1456. doi: 10.1021/jp511792a

Table 2. Energy Decomposition Results of DFG-Flip in c-Abla.

  all residues P-loop αC-helix A-loop
ΔEin→out –10.4 2.0 1.1 –1.7
ΔEin→out,ele –8.2 –0.1 3.1 –1.5
ΔEin→out,vdW –2.2 2.1 –2.0 –0.2
a

Asp381 is protonated. All values are in kcal/mol.