Table 1.
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)