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Short project description
Karlsberg+ is a web service performing pKa predictions of ionizable residues in any protein provided. It combines continuum electrostatics with structural relaxation of hydrogens and salt bridges. Starting from the user supplied structure Karlsberg+ will 'predict' hydrogen positions and alternative side chain conformers for ion pairs present in salt bridges depending on the bulk pH. After evaluating the relevant electrostatic energies Karlsberg+ performs a Monte-Carlo sampling of protein protonation patterns and the predicted pH adapted conformations. The approach has been shown to increase the accuracy of LPBE-based pKas without meddling with the protein dielectric constant for which Karlsberg+ uses a consistent value of 4.0.


Our webserver is under maintenance and usage of Karlsberg+ is currently not possible. We are sorry for the incovenience

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Fabeckstr. 36a, D-14195, Germany, Berlin-Dahlem
+49 30 838 54387
+49 30 838 56921 (Fax)


Protein Electrostatics 2016

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Selected publications

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Aysam Guerler, Connie Wang and E. W. Knapp


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Alok Juneja, Henning Riedesel, Milan Hodoscek and E. W. Knapp


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Gegham Galstyan and E. W. Knapp


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Ilkay Sakalli and E. W. Knapp


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