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 nameExperimentalTarget 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
1a4y.pdb-1.69e+01 1e5 -1.69e+011.00e+05 7.39e-04 A -2.70e+01 B 1.00e+01 -1.70e+01


HyPare analysis of 1A4Y, chain A    



HyPare analysis of 1A4Y, chain B    

Export of HyPare files    

1A4Y A B Download residue analysis Download positive Kon Download negative Kon

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