Table 4.
Interacting surface information of the best docking solutions generated by ClusPro 2.0
Interacting surface information of HSP70 ADP-bound and RAGE oligomeric | ||||||||
---|---|---|---|---|---|---|---|---|
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 | −18.4109 | 1610 | 1684 | 33 | 32 | 10 | 29 | 220 |
Mode1.01 | −24.6075 | 1369 | 1372 | 30 | 26 | 11 | 33 | 186 |
Mode1.02 | −15.4286 | 1256 | 1558 | 25 | 21 | 4 | 19 | 127 |
Mode1.03 | −16.3374 | 1340 | 1203 | 25 | 33 | 4 | 23 | 145 |
Mode1.04 | −16.2707 | 2212 | 2198 | 34 | 48 | 8 | 30 | 306 |
Mode1.05 | −8.83572 | 1960 | 1721 | 28 | 44 | 12 | 32 | 254 |
Mode1.06 | −9.42297 | 1834 | 1826 | 34 | 33 | 10 | 19 | 107 |
Mode1.07 | −7.12172 | 1673 | 1610 | 35 | 31 | 4 | 19 | 157 |
Mode1.08 | −13.2064 | 1622 | 1631 | 27 | 32 | 7 | 20 | 178 |
Mode1.09 | −11.1987 | 1686 | 1670 | 36 | 37 | 4 | 23 | 202 |
Mean | −14.084061 | 1656.2 | 1647.3 | 30.7 | 33.5 | 7.4 | 24.7 | 188.2 |
Chain A represents RAGE in the oligomeric form (PDB/4LP5) and chain B represents HSP70 ADP-bound (PDB/2KHO)