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. Author manuscript; available in PMC: 2019 Jan 1.
Published in final edited form as: Virology. 2017 Oct 18;513:98–107. doi: 10.1016/j.virol.2017.10.010

Table 2.

Hydrogen bonds between HA and bound receptor analogues

Ligand DH1 HA – 6’SLN DH1D HA – 6’SLN DH1E HA -6’SLN DH1E HA-3’SLN
Interaction
pairs
Distance
(Å)
Interaction
pairs
Distance
(Å)
Interaction
pairs
Distance
(Å)
Interaction
pairs
Distance
(Å)
Sia-1 O1A······T136 OG1 2.58 O1A······T136 OG1 2.63 O1A······T136 OG1 2.68 O1A······T136 OG1 2.75
O1A······Q22 6 NE2 3.00
O1B······A137 N 2.66 O1B······A13 7 N 2.62 O1B······A13 7 N 2.82 O1B······A13 7 N 2.88
O4······V135 O 3.51 O4······V135 O 3.69 O4······V135 O 3.63 O4······V135 O 3.58
N5······V135 O 2.99 N5······V135 O 2.83 N5······V135 O 2.92 N5······V135 O 2.82
O8······Y98 OH 2.76 O8······Y98 OH 2.68 O8······Y98 OH 2.71 O8······Y98 OH 3.06
O9······Y98 OH 2.97 O9······Y98 OH 2.61 O9······Y98 OH 2.86 O9······Y98 OH 3.24
O9······H183 NE2 3.14 O9······H183 NE2 2.85 O9······H183 NE2 3.05 O9······H183 NE2 3.11
O9······E190 OE1 2.48 O9······E190 OE1 2.38
O9······S228 OG 3.11 O9······S228 OG 2.85 O9······S228 OG 3.12
Gal-2 O3······K222 NZ 3.00 O3······K222 NZ 2.79 O3······K222 NZ 3.16
O3······D225 OD2 2.81 O3······D225 OD2 3.65
O3······D225 O 3.28 O3······D225 O 3.70 O3······G225 O 3.07
O4······D225 O 2.56 O4······D225 O 2.75 O4······G225 O 3.34
GalNAc-3 N2······D190 OD1 2.97    

Hydrogen atoms were calculated by LigPlot+.