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