TABLE 1

Summary of the interactions of SFV and UTP with NsP4 model of CIKV

Virus or substrateValue(s) for NsP4 model of CHIKV
H-bond energyaResidues (H-bond)Electrostatic interaction energyResidue and cofactor (electrostatic)Steric interaction energy by PLPbResidues (steric)MolDock score
SFV−6.97Asn348, Ile369, Gly370, Asp371, Cys411−117.24Asp371, Mg2+−24.50Phe280, Asn344, Thr345, Asn348, Ala367, Phe368, Ile369, Gly370, Asp371, Asp372, Asn373, Ile374, Phe410, Cys411−78.41
UTP−3.11Asn348, Ile369, Gly370−112.84Asp371, Mg2+−48.76Leu250, Phe251, Phe280, Asn344, Thr345, Asn348, Ala367, Ile369, Gly370, Asp371, Asp372, Asn373, Ile374, Cys411−108.78
  • a In arbitrary units.

  • b Piecewise linear potential (57).