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. 2016 Nov 17;22(1):99–111. doi: 10.1007/s12192-016-0746-9

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)