Table 3.
Interacting surface information of the best docking solutions generated by ClusPro 2.0
| Interacting surface information of HSP70 ADP-bound and RAGE | ||||||||
|---|---|---|---|---|---|---|---|---|
| Interaction energy (kcal/mol) | Interface area A (Å2) | Interface area B (Å2) | No. of interacting residues A | No of interacting residues B | Salt bridges | Hydrogen bounds | Non-bounded contracts | |
| Mode1.00 | −13.9867 | 1527 | 1467 | 27 | 31 | 9 | 23 | 154 |
| Mode1.01 | −14.9640 | 1317 | 1249 | 24 | 28 | 7 | 27 | 173 |
| Mode1.02 | −13.5191 | 1175 | 1124 | 19 | 22 | 2 | 16 | 154 |
| Mode1.03 | −10.0052 | 1244 | 1182 | 18 | 25 | 4 | 14 | 125 |
| Mode1.04 | −17.3068 | 1194 | 1082 | 19 | 27 | 7 | 23 | 180 |
| Mode1.05 | −8.7484 | 1029 | 1115 | 22 | 19 | 6 | 12 | 119 |
| Mode1.06 | −13.9595 | 1699 | 1417 | 24 | 34 | 4 | 25 | 179 |
| Mode1.07 | −11.0688 | 989 | 1009 | 21 | 21 | 4 | 17 | 139 |
| Mode1.08 | −8.2834 | 1431 | 1551 | 28 | 28 | 7 | 21 | 235 |
| Mode1.09 | −13.1513 | 1438 | 1332 | 24 | 30 | 6 | 16 | 181 |
| Mean | −12.549 | 1304.3 | 1252.8 | 22.6 | 26.5 | 5.6 | 19.4 | 163.9 |
Chain A represents RAGE in the monomeric form (PDB/3CJJ) and chain B represents HSP70 ADP-bound (PDB/2KHO)