Table 2.
Interacting surface information of the best docking solutions generated by ClusPro 2.0
| Interacting surface information of HSP70 ATP-bound and RAGE oligomeric | ||||||||
|---|---|---|---|---|---|---|---|---|
| Interaction energy (kcal/mol) | Interface area A (Å2) | Interface area B (Å2) | No. of interacating residues A | No. of interacting residues B | Salt bridges | Hydrogen bounds | Non-bounded contacts | |
| Mode1.00 | −22.3043 | 1695 | 1500 | 22 | 34 | 11 | 32 | 207 |
| Mode1.01 | −7.36259 | 1483 | 1518 | 30 | 26 | 7 | 22 | 199 |
| Mode1.02 | −13.4254 | 1304 | 1271 | 17 | 25 | 5 | 23 | 152 |
| Mode1.03 | −4.89881 | 1056 | 997 | 17 | 24 | 11 | 22 | 161 |
| Mode1.04 | −11.0521 | 1328 | 1115 | 18 | 30 | 6 | 21 | 124 |
| Mode1.05 | −17.934 | 1342 | 1191 | 22 | 29 | 12 | 26 | 179 |
| Mode1.06 | −7.39764 | 1203 | 1145 | 25 | 22 | 8 | 18 | 142 |
| Mode1.07 | −20.0421 | 1474 | 1422 | 27 | 30 | 9 | 28 | 199 |
| Mode1.08 | −3.08451 | 1142 | 1064 | 20 | 23 | 6 | 15 | 154 |
| Mode1.09 | −14.6118 | 1326 | 1230 | 29 | 31 | 11 | 23 | 203 |
| Mean | −12.211325 | 1335.3 | 1245.3 | 22.7 | 27.4 | 8.6 | 23 | 172 |
Chain A represents RAGE in the oligomeric form (PDB.4LP5) and chain B represents HSP70 ATP-bound (PDB.4B9Q)