HyPare© results The following calculation of energy and hotspots using residues only, is for the experimentally measured kon 1e5 M-1s-1, determined at 0.022 M ionic strength:

Ionic Strength (M) File name Experimental Target Basal rate (M-1s-1) Charge 0.022 0.022 export files DU (kcal/mol) kon (M-1s-1) DU (kcal/mol) kon (M-1s-1) 1st chain 2nd chain Complex 1jtg.pdb -1.62e+00 1e5 -1.19e+00 7.15e+04 1.65e+04 A -6.00e+00 B -2.00e+00 -8.00e+00

HyPare analysis of 1JTG, chain A

HyPare analysis of 1JTG, chain B

Export of HyPare files     1JTG A B Download residue analysis Download positive Kon Download negative Kon Download summary table Download all files.

HyPare© by Yossi Shaul, Gideon Schreiber and Jaime Prilusky, uses Jmol, developed by the Jmol Development Team