. 2011 Mar 24;21(7):973–984. doi: 10.1093/glycob/cwr030

Table IV.

Contribution to the interaction energies from each glycan residue, as well as for all key^a protein residues

Residue	<ΔE_{Direct electrostatic}>	<ΔG_{Polar desolvation}>	Total_{Electrostatic}	<ΔE_{van der Waals}>	<ΔG_{Non-polar desolvation}>	<ΔG_Binding>
Glycan
GlcNAc	2.9	−1.5	1.4	−2.3	−0.3	−1.2
Gal	−30.2	19.6	−10.6	−5.0	−1.3	−16.9
Neu5Ac	−6.3	11.5	5.2	−8.4	−1.7	−4.9
Total	−33.6	29.6	−4.0	−15.7	−3.2	−22.9
Protein
Ser32	−9.5	5.5	−4.1	−0.1	−0.1	−4.3
Lys31	−24.3	24.3	−0.1	−2.7	−0.3	−3.1
Gly75	−3.0	2.0	−0.9	−1.7	−0.3	−3.0
Tyr87	−1.0	1.8	0.8	−3.1	−0.3	−2.6
Ile85	−1.1	0.9	−0.2	−1.8	−0.1	−2.1
His76	−3.4	2.7	−0.6	−1.2	−0.2	−2.1
Ala74	−2.2	1.8	−0.3	−1.5	−0.1	−2.0
Asn94	−1.3	0.0	−1.3	−0.4	0.0	−1.8
Asp72	−4.0	1.2	−2.8	2.1	0.0	−0.7
Asn30	−1.2	2.1	0.8	−1.2	−0.2	−0.6
Asp34	15.8	−12.9	2.9	−0.2	0.0	2.8
Subtotal	−35.2	29.4	−5.8	−11.7	−1.9	−19.3
Percent of Total^b	104.8	102.8	116.6	74.5	83.5	84.5

^aAny residue indentified in the hydrogen-bonding analysis or that contributes >1 kcal mol⁻¹ to <ΔG_Binding>.

^bRelative to the total contributions from all of the residues in the protein.