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

Table 1.

Interacting surface information of the best docking solutions generated by ClusPro 2.0

Interacting surface information of HSP70 ATP-bound and RAGE
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 −9.44961 914 874 19 23 4 21 135
Mode1.01 −26.4293 1397 1331 26 34 6 19 198
Mode1.02 −11.6721 1136 1084 19 22 8 16 106
Mode1.03 −23.9613 1953 1902 33 43 7 34 243
Mode1.04 −15.463 1187 1222 26 25 7 25 192
Mode1.05 −15.9767 1572 1462 29 29 8 23 194
Mode1.06 −18.2888 1331 1269 24 27 6 14 138
Mode1.07 −15.8098 1338 1194 25 33 5 20 143
Mode1.08 −7.3837 1201 1057 20 26 4 19 156
Mode1.09 −2.42895 1654 1513 25 32 7 21 160
Mean −14.686 1368.3 1290.8 24.6 29.4 6.2 21.2 166.5

Chain A represents HSP70 ATP-bound (PDB/4B9Q) and chain B represents RAGE in the monomeric form (PDB/3CJJ)