SECSTR - Secondary structure assignment
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 Secondary structure calculation program - copyright by David Keith Smith, 1989

 Amended by R A Laskowski, 1992

 Enter filename containing coordinates of structure
   (for file containing ensemble of NMR structures enter @filename;
    for set of separate PDB files to be processed, enter %filelist,
    where filelist contains a list of PDB files to be cleaned up)

    Processing NMR model 0
 chain break between   17(M  19 ) and   18(M  21 )                               
 chain break between   26(M  29 ) and   27(M  31 )                               
 chain break between   65(M  69 ) and   66(M  80 )                               
 chain break between   83(M  97 ) and   84(M  99 )                               
 chain break between   92(M 107 ) and   93(M 109 )                               
 number of hydrogen bonds is    89                                               
 side chain atoms swapped for                                                    
 PHE    3  GLU   17  ASP   22  ASP   56  GLU   57  PHE   74  GLU   87  TYR   95  
 TYR   96  ASP  106  ASP  122  TYR  125                                          

 * NMR ensemble comprises 1 model structures
 * Program completed