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Table 2 MD predicted receptor type selectivity of HAs compared with data from published experimental assays.

From: Prediction of avian influenza A binding preference to human receptor using conformational analysis of receptor bound to hemagglutinin

Tested HA variants

Simulation

in vitro

 
 

α2,3

α2,6

α2,3

α2,6

Citation

Puerto-34

+++*

+++

NA

+++

[16]

Q222L Puerto-34

+++*

++

NA

NA

-

G224S Puerto-34

+*

+

NA

NA

-

Q222L/G224S Puerto-34

+++*

+++

NA

NA

-

Sing-97

+++

++

+++

+

[5]

Q222L Sing-97

++

++

++

++

[29]

G224S Sing-97

++

+

++

++

[29]

Q222L/G224S Sing-97

++

+++

+

+++

[29]

Kan-1

+++

+

+++

+

[19]

L129V/A134V Kan-1

+++

+++

+++

+++

[19]

  1. NA - no data available, +++ most preferred, ++ moderately preferred, + least preferred
  2. * - Siaα(2,3)Galβ(1,4)GlcNAc not Siaα(2,3)Galβ(1,3)GlcNAc