Mixed effects model without (no-IT) statistical pairwise interaction terms (R-square=0.55)
Kd [µM]
ln(Kd) (Column 2 below)
Prediction possible for all amino acids except for cysteine.

Fixed effects model with (w/-IT) statistical pairwise interaction terms (exp. validated R-square=0.62)
Kd [µM]
ln(Kd) (Column 3 below)
Prediction possible only for a reduced set of amino acids (see below).

For comparison only: Fixed effects model without (no-IT) statistical pairwise interaction terms (exp. validated R-square=0.63)
Kd [µM]
ln(Kd) (Column 4 below)
Prediction possible only for a reduced set of amino acids (see below).

As pointed out in the the paper (submitted), the prediction of the model including statistical interaction terms. Please use ONLY either the values of the mixed effects model or the fixed effects model including statistical interaction terms.

Calculation log
All your calculations will be summarized in the table below. The dissociation constants are given in [µM].
You can copy and paste the results and save them in an editor for future reference.

The fixed effects models are solely based on a single profile library.
The profile libraries are of the type bbbb(P-3)(P-2)(P-1)(P0)-COOH
For the ERBIN profile library the positions P0 through P-3 were limited to the following sets of amino acids:

The profile library therefore contained a total of 3x9x4x5 = 540 peptides.
The mixed effects models included in addition to the profile library selected substitutional analyses. This analyses was thus based on a total of 5020 + 540 = 5560 individual PDZ domain/peptide interaction measurements.

Reference: Urs Wiedemann and Prisca Boisguerin, Rainer Leben, Dietmar Leitner, Gerd Krause, Karin Moelling, Rudolf Volkmer-Engert and Hartmut Oschkinat (2004) submitted.

Last modified: Tue May 18 23:10:00 W. Europe Daylight Time 2004