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.