Amino acid residues Energy of interaction (kJ.mol‐1)
First step: one GM1 molecule
 Asp‐111 −5.6
 Lys‐113 −8.2
 Gln‐134 −8.6
 Phe‐135 −20.1
 Cys‐136 −7.0
 Asn‐137 −15.2
 Asp‐138 −6.4
 Arg‐158 −17.4
 Ser‐161 −9.7
 Ser‐162 −2.0
 Total −100.2
Second step: two GM1 molecules
 Asp‐111 −15.8
 Ser‐112 −10.7
 Lys‐113 −9.2
 Gln‐134 −11.2
 Phe‐135 −10.5
 Cys‐136 −6.2
 Asn‐137 −4.7
 Phe‐140 −5.2
 Gly‐142 −5.6
 Glu‐156 −9.0
 Phe‐157 −13.8
 Arg‐158 −19.8
 Tyr‐160 −3.2
 Ser‐161 −9.7
 Ser‐162 −2.0
 Total −136.6