Table 1.
Presumptive residues and regions of HCV NS5A bound by the HuscFvs as determined by computerized simulation.
| HCV NS5A protein | HuscFv5 | |||
|---|---|---|---|---|
| Residue | Domain | Residue(s) | Domain | Interactive bond |
| D18 | AH of domain I | R104 | VH-CDR3 | Salt bridge |
| L23 | AH of domain I | K54 | VH-CDR2 | H-bond |
| K26 | Domain I | D33 | VH-CDR1 | Salt bridge |
| L27 | Domain I | S57 | VH-CDR2 | H-bond |
| F36 | Domain I | Y230 | VL-CDR3 | π-π interaction |
| I74 | Domain I | F105 | VH-CDR3 | H-bond |
| K78 | Domain I | S229 | VL-CDR3 | H-bond |
| M81 | Domain I | Y230 | VL-CDR3 | H-bond |
| S229 | LCS-I | S204 | VL-FR3 | H-bond |
| S232 | LCS-I | S204/S190 | VL-FR3 | H-bond |
| HCV NS5A protein | HuscFv9 | |||
| Residues | Domain | Residue(s) | Domain | Interactive bonds |
| I37 | Domain I | R189 | VL-FR3 | H-bond |
| T108 | Domain I | S165 | VL-CDR1 | H-bond |
| E120 | Domain I | Y167 | VL-CDR1 | H-bond |
| D136 | Domain I | N54 | VH-CDR2 | Salt bridge |
| P165 | Domain I | T102 | VH-CDR3 | H-bond |
| K166 | Domain I | D31 | VH-CDR1 | Salt bridge |
| F169 | Domain I | Y33 | VH-CDR2 | π-π interaction |
| R170 | Domain I | Y167 | VL-CDR1 | H-bond |
| D171 | Domain I | N59 | VH-CDR2 | H-bond |
| E172 | Domain I | R65 | VH-FR3 | Salt bridge |
| HCV NS5A protein | HuscFv16 | |||
| Residues | Domain | Residue(s) | Domain | Interactive bond |
| K107 | Domain I | S54 | VH-CDR2 | H-bond |
| H124 | Domain I | T57 | VH-CDR2 | H-bond |
| Y127 | Domain I | K224 | VL-CDR3 | Salt bridge |
| Y129 | Domain I | Y59 | VH-CDR2 | π-π interaction |
| E191 | Domain I | N225 | VL-CDR3 | H-bond |
| R220 | Domain I | S30 | VH-CDR1 | H-bond |
| E226 | Domain I | S30 | VH-CDR1 | H-bond |
| D251 | Domain II | K224 | VL-CDR3 | Salt bridge |
| HCV NS5A protein | HuscFv19 | |||
| Residues | Domain | Residue(s) | Domain | Interactive bond |
| H124 | Domain I | N31 | VH-CDR1 | H-bond |
| G125 | Domain I | R100 | VH-CDR3 | H-bond |
| Y127 | Domain I | Y106 | VH-CDR3 | H-bond |
| Y129 | Domain I | R98 | VH-CDR3 | H-bond |
| S186 | Domain I | R59 | VH-FR3 | H-bond |
| E191 | Domain I | N102 | VH-CDR3 | H-bond |
| N248 | LCS-I | G26 | VH-CDR1 | H-bond |
| T249 | LCS-I | R98 | VH-CDR3 | H-bond |
| D251 | Domain II | R100/N105 | VH-CDR3 | Salt bridge |
| HCV NS5A protein | HuscFv99 | |||
| Residues | Domain | Residue(s) | Domain | Interactive bond |
| K107 | Domain I | T58 | VH-CDR2 | H-bond |
| H124 | Domain I | K60 | VH-FR3 | H-bond |
| G125 | Domain I | K60 | VH-FR3 | H bond |
| R170 | Domain I | D73 | VH-FR3 | Salt bridge |
| D171 | Domain I | R19 | VH-FR1 | Salt bridge |
| E172 | Domain I | R19 | VH-FR1 | Salt bridge |
| Q187 | Domain I | N84/S85 | VH-FR3 | H-bond |
| L218/ | LCS-I | R57 | VH-CDR2 | H-bond |
| G221 | LCS-I | R57 | VH-CDR2 | H-bond |
| S222 | LCS-I | R57 | VH-CDR2 | H-bond |
| Y250 | Domain II | D62 | VH-FR3 | H-bond |
LCS-1, low complexity sequence between domains I and II of NS5A.