Table 1.
Hydrogen bond contacts between IκBα and the p50/RelA subunits of NF-κB.
| IκBα | RelA | IκBα | p50 | RelA | p50 |
|---|---|---|---|---|---|
| HYDROGEN BONDS | |||||
| GLY155 | ARG297 | ASP73 | LYS352 | ARG198 | HIS304 |
| LEU157 | ARG297 | GLN107 | LYS352 | ASN200 | ASP254 |
| ASN216 | ASP243 | ASN109 | ASP353 | ASP243 | ARG252 |
| ASP226 | SER238 | ASN109 | LYS352 | HIS245 | CYS270 |
| THR247 | ASP243 | TYR181 | THR256 | ||
| GLN249 | ASP243 | ASN182 | THR256 | ||
| TRP258 | GLN26 | GLY183 | THR256 | ||
| GLY259 | GLN241 | CYS215 | MET253 | ||
| GLN266 | ILE24 | TYR248 | LYS343 | ||
| GLN267 | GLU22 | TYR248 | GLU341 | ||
| GLN271 | LEU179 | GLN249 | ARG252 | ||
| GLN271 | VAL21 | ||||
| LEU280 | GLN29 | ||||
| SER283 | GLU222 | ||||
| ASP285 | GLN247 | ||||
| GLU286 | GLN247 | ||||
| GLU286 | THR191 | ||||
| SER288 | GLN247 | ||||
Residues found in interactions in the crystal structure 1IKN are shown in bold. All Bonds are present for more than 10% of the total simulation time in at least 2 of the replicate simulations.