TABLE 2.

Direct contacts between Fab Z13e1 and gp41 MPER peptide

gp41 MPER peptide residue and contact typeaFab Z13e1 residue or atomDistance (Å)
van der Waals contacts
    TrpP670AsnH31, TyrH33, IleH97, IleH52
    AsnP671IleH30, AsnH31, IleH52, TyrH53, GlyH54
    TrpP672IleH52, TyrH53, GlyH54
    PheP673TyrH33, IleH52
    AspP674TyrH33, HisH50, IleH52, ThrH56, LysH58
    IleP675TyrH33, IleH97, GlyH98, ValH99, TyrH100E
    ThrP676LeuL92, HisH50, LysH58, TyrH100E, TyrH100G
    AsnP677LysH58
Hydrogen bond contacts
    TrpP670-OTyrH33-OH2.63
    TrpP670-Nε1AsnH31-Oδ13.27
    AsnP671-Oδ1AsnH31-N2.81
    AsnP671-Nδ2AsnH31-Oδ12.67
    AsnP671-OGlyH54-N2.78
    AspP674-Oδ2HisH50-Nε22.82
    IleP675-NTyrH33-OH2.94
    AsnP677-Oδ1LysH58-Nζ2.74
  • a Hydrogen bonds and van der Waals contacts were identified with CONTACSYM (63).