Re:Misfolded Protein Structures....



 Dear Pattabi:
 Although I don't have any misfolded structures to provide you at the
 moment, the following might be the next best thing I would suggest.  It
 should get you started.
 Database of deliberately misfolded protein models
 -------------------------------------------------
 reference:
 Holm, L., Sander, C. (1992) Evaluation of protein models by atomic solvation
 preference.  J. Mol. Biol. 225, 93-105.
 The models were generated by selecting pairs of known structures which
 have an equal number of residues.  The backbone conformation of the crystallo-
 graphic structure was kept, but the sequences were swapped and side chains
 optimized using a fast Monte Carlo algorithm with a simple energy function.
 The misfolded models were then subjected to 500 steps of steepest descents
 energy minimization using the GROMOS program.
 The models are named AAAAonBBBB, where AAAA is the Protein Data Bank (PDB)
 identifier for the sequence and BBBB is the PDB identifier of the backbone
 coordinates.
 1bp2on2paz.brk   1cbhon1ppt.brk   1fdxon5rxn.brk   1hipon2b5c.brk
 1lh1on2i1b.brk   1p2pon1rn3.brk   1ppton1cbh.brk   1reion5pad.brk
 1rhdon2cyp.brk   1rn3on1p2p.brk   1sn3on2ci2.brk   1sn3on2cro.brk
 2b5con1hip.brk   2cdvon2ssi.brk   2ci2on1sn3.brk   2ci2on2cro.brk
 2croon1sn3.brk   2croon2ci2.brk   2cypon1rhd.brk   2i1bon1lh1.brk
 2pazon1bp2.brk   2ssion2cdv.brk   2tmnon2ts1.brk   2ts1on2tmn.brk
 5padon1rei.brk   5rxnon1fdx.brk
 .............................................................................
 The best way to get these structures is via gopher.  Follow the
 procedure given below to accomplish the same:
 1.  gopher ftp.embl-heidelberg.de
 2.  choose #3 on the menu
 3.  #2 databases
 4.  #24 protein-extras
 5.  #4 misfolded
 6.  This directory has a README file (excerpted above) as its last entry
 and the others are the misfolded structures in the pdb format.
 If you have trouble downloading via gopher, then, ftp to the same site
 to get the files you want.
 Good luck and let me know if you have difficulty in downloading the
 files.
 Regards
 -raman
 --
 C.S.Raman                                 raman -x- at -x- bioc01.uthscsa.edu -
 Internet
 UNIX Programming & Administration         70412.2354 -x- at -x-
 compuserve.com - CIS
 SPARC & SGI Systems                       raman -x- at -x-
 hermes.chpc.utexas.edu - CHPC
 Department of Biochemistry                c.raman -x- at -x- launchpad.unc.edu
 UTHSCSA
 7703 Floyd Curl Dr.                       (210) 567-6623   [Tel]
 San Antonio, TX 78284-7760                (210) 567-6595   [Fax]
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