Supplementary Data to:

Willy Wriggers, Jay X. Tang, Toshifumi Azuma, Peter Marks, 
and Paul A. Janmey. Cofilin and Gelsolin Segment-1: 
Molecular Dynamics Simulation and Biochemical Analysis 
Predict a Similar Actin Binding Mode. J. Molecular Biology, 
1998, Vol. 282, pp. 921-932.


This directory contains two sets of coordinates in UNIX-compressed 
X-PLOR / PDB format:

        (1) simulated model (see paper): simulate.pdb.Z

            segment APO: actin subdomains 1&3 only
            segment 1COF: cofilin
            segment WZ: water molecules used in the simulation

        (2) complete G-actin, no water molecules: complete.pdb.Z
        
            segment APO: actin with subdomains 2&4 added,
                         cofilin binding face identical to (1)
            segment 1COF: cofilin, identical to (1)
            segment ATP: actin's ATP 
            segment CAL: actin's high-affinity calcium ion

Last updated May 16, 2001
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Any questions? Contact Willy Wriggers, wriggers "at" biomachina.org