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. 2013 Mar 5;8(3):e57804. doi: 10.1371/journal.pone.0057804

Table 2. Hydrogen Bonding Energies in kcal/mol computed using Implicit Solvation Molecular Mechanics on residue pairs.

Acceptor Residue Hydrogen Bonding Interaction with Donor Residue
Arg Collinear Arg Coplanar Lys Amide
Glu −4.1 −11.1 −6.1 −1.5
pSer(−2) −9.1 −19.7 −10.5 −3.1
pSer(−1) −5.1 −11.8 −7.1 −2.6
pTyr(−2) −8.3 −15.6 −8.2 −1.7
pTyr(−1) −6.7 −11.6 −6.9 −2.7
sTyr −3.7 −6.0 −4.4 −2.9

Energies are reported as the difference between the interaction energy of the residue pair at the minimum energy and at a distance of 11 Å.