Table 3.
List of possible interactions between TNF-α and dAbs predicted by PIC web server. TNF-α residues have been numbered according to residue numbers in TNF-α crystal structure retrieved from protein data bank (1TNF) and dAbs residue numbers follow the rule in Figure 1
| Interaction type | TNF-α residue number | I44 residue number | I49 residue number |
|---|---|---|---|
| Hydrophobic contacts | Ala84 | Tyr32 | - |
| Tyr87 | Ile29, Tyr32 | Ile29, Tyr32 | |
| Val91 | Tyr32 | Tyr32 | |
| Leu143 | Leu54 | Leu54 | |
| Phe144 | Leu54 | - | |
| Ala145 | Tyr53, Leu54 | Tyr53, Leu54 | |
| Hydrogen bonds | Gln88 | Gly92 | - |
| Glu146 | Ser52 | - | |
| Ala145 | Tyr53 | - | |
| Tyr87 | Ile29, Tyr32 | Ile29 | |
| Thr89 | Asp91 | Ala91 | |
| Asn92 | Ser50 | Thr50 | |
| Glu146 | Ser52 | - | |
| Ser147 | Tyr53 | Tyr53 | |
| Gly148 | Tyr53 | Tyr32 | |
| Thr89 | Tyr32 | Tyr32 | |
| Thr87 | Leu33 | Ser30, Ser31, Tyr32 | |
| Lys90 | Ser50 | - | |
| Asn92 | Tyr53 | Thr50 | |
| Thr89 | Gly92, Asp91 | - | |
| Val91 | - | Tyr32 |