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. 2009 Jun 10;83(17):8451–8462. doi: 10.1128/JVI.00685-09

TABLE 2.

Direct contacts between Fab Z13e1 and gp41 MPER peptide

gp41 MPER peptide residue and contact typea Fab Z13e1 residue or atom Distance (Å)
van der Waals contacts
    TrpP670 AsnH31, TyrH33, IleH97, IleH52
    AsnP671 IleH30, AsnH31, IleH52, TyrH53, GlyH54
    TrpP672 IleH52, TyrH53, GlyH54
    PheP673 TyrH33, IleH52
    AspP674 TyrH33, HisH50, IleH52, ThrH56, LysH58
    IleP675 TyrH33, IleH97, GlyH98, ValH99, TyrH100E
    ThrP676 LeuL92, HisH50, LysH58, TyrH100E, TyrH100G
    AsnP677 LysH58
Hydrogen bond contacts
    TrpP670-O TyrH33-OH 2.63
    TrpP670-Nɛ1 AsnH31-Oδ1 3.27
    AsnP671-Oδ1 AsnH31-N 2.81
    AsnP671-Nδ2 AsnH31-Oδ1 2.67
    AsnP671-O GlyH54-N 2.78
    AspP674-Oδ2 HisH50-Nɛ2 2.82
    IleP675-N TyrH33-OH 2.94
    AsnP677-Oδ1 LysH58-Nζ 2.74
a

Hydrogen bonds and van der Waals contacts were identified with CONTACSYM (63).