Table 3. Per-Water Thermodynamic Properties of the Solvent in the Glycan-Adjacent Regions^a.

	TStrans (kcal/mol)	TSorient (kcal/mol)	Esw (kcal/mol)	Eww (kcal/mol)
2009-H1N1-ungly	–0.05 ± 0.04	–0.06 ± 0.04	–0.48 ± 0.31	–8.89 ± 2.26
2009-H1N1-gly	–0.35 ± 0.10	–0.36 ± 0.09	–1.89 ± 0.54	–2.11 ± 0.48
difference	–0.30 ± 0.08	–0.31 ± 0.10	–1.41 ± 0.44	6.78 ± 1.83

^aGlycans restrict water movement and coordinate waters. TS_trans and TS_orient are the translational and rotational entropies, respectively, in the protein frame of reference. More negative values indicate lower entropy, thus showing that water is more constrained positionally and orientationally, respectively. Bulk water entropy values are set to be 0. E_sw and E_ww are interaction energies per water molecule for solute–water and water–water interactions, respectively. More negative E_sw values indicate more favorable interactions between the water and the solute and thus show whether water coordinates to the solute. These values would be more negative near charged side chains and less negative near nonpolar side chains. More negative E_ww values indicate more favorable interactions between water and the rest of the water in the solvent. These values would be more negative where water is free and acting like bulk water and less negative where water is sequestered. We averaged solvent entropy and energy around each of the glycans and subtracted the entropy and energy from the same space on the 2009-H1N1-ungly construct from the 2009-H1N1-gly construct to arrive at a difference. The sample standard deviation is also presented.