Table 2

Inter- and intramolecular hydrogen bonds formed by peptide 8741 in its complex with AP33 Faba

Peptide atomH-bond partnerDistance (Å)Comment
Glp412 OWaterw352.8Bridges to peptide (V422)
L413 NFabWH100 OH2.9
L413 OWaterw552.8Bridges to YH33
I414 NPeptideH421 O2.8Peptide β-sheet interaction
I414 OPeptideH421 N2.9Peptide β-sheet interaction
N415 NFabYH33 OH2.9
N415 Oδ1FabYH50 OH2.7
N415 OWaterw1763.0Bridges to SH54 via water 163
T416 Oγ1Waterw2622.9Bridges to CDR H2 via waters 73/57
T416 NPeptideS419 O3.0Peptide β-sheet interaction
T416 OPeptideS419 N3.1Peptide β-sheet interaction
N417 OWaterw1502.8Bridges to DL94 via water 97
G418 OFabWL96 Nε12.7
W420 NFabNL92 Oδ12.8
W420 Nε1FabNL91 O2.9
W420 OWaterw1162.8
V422 OWaterw352.8Bridges to peptide (Glp412)
  • a Direct hydrogen bonds connecting the peptide to the Fab are highlighted in boldface.