Table 5.
Total energy (Etot)a of receptor, co-receptor and ligand interactions in the presence and or absence of HBF-0259
| Pre-S1 | Pre-S1-HBF-0259 | Pre-S2 | Pre-S2/HBF-0259 | FTL | FTL/HBF-0259 | FNIII1 | FNIII1/HBF-0259 | |
|---|---|---|---|---|---|---|---|---|
| SCCA1 | −519.28 | −571.27 | NP | NP | −795.72 | −826.65 | NP | NP |
| SCCA1/HBF-0259 | −469.01 | −491.54 | NP | NP | −690.32 | −523.80 | NP | NP |
| FTL | NP | NP | −488.28 | −376.38 | NP | NP | NP | NP |
| FTL/HBF-0259 | NP | NP | −507.62 | −329.18 | NP | NP | NP | NP |
| ASGPRCRD | −263.58 | −149.60 | NP | NP | NP | NP | −745.57 | −537.86 |
| ASGPRCRD/HBF-0259 | −214.15 | −49.93 | NP | NP | NP | NP | −756.92 | −523.80 |
| FNIII1 | NP | NP | −509.19 | −484.10 | NP | NP | NP | NP |
| FNIII1/HBF-0259 | NP | NP | −539.81 | −346.72 | NP | NP | NP | NP |
| NTCP84–165 | −439.82 | −431.13 | NP | NP | NP | NP | NP | NP |
| NTCP-HBF0259 | −368.16 | −213.44 | NP | NP | NP | NP | NP | NP |
The slashes (/) show the complex. For example SCCA1/HBF-0259 implicate that SCCA1 is bound to HBF-0259
aHex 8.0.0 Total Energy (Kcal/mol)
NP not possible