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  104(M 108 ) and  105(M 110 )                               
 chain break between  132(M 137 ) and  133(M 139 )                               
 chain break between  156(M 162 ) and  157(M 173 )                               
 chain break between  260(M 276 ) and  261(M 278 )                               
 chain break between  288(M 305 ) and  289(M 307 )                               
 chain break between  312(M 330 ) and  313(M 341 )                               
 chain break between  416(M 444 ) and  417(M 446 )                               
 chain break between  444(M 473 ) and  445(M 475 )                               
 chain break between  468(M 498 ) and  469(M 509 )                               
 chain break between  572(M 612 ) and  573(M 614 )                               
 chain break between  600(M 641 ) and  601(M 643 )                               
 number of hydrogen bonds is   412                                               
 side chain atoms swapped for                                                    
 GLU    8  ASP   20  TYR   38  PHE   50  TYR   74  GLU   75  GLU   92  ASP   99  
 TYR  105  GLU  164  ASP  176  TYR  194  PHE  206  TYR  230  GLU  231  GLU  248  
 ASP  255  TYR  261  GLU  320  ASP  332  TYR  350  PHE  362  TYR  386  GLU  387  
 GLU  404  ASP  411  TYR  417  GLU  476  ASP  488  TYR  506  PHE  518  TYR  542  
 GLU  543  GLU  560  ASP  567  TYR  573                                          

 * NMR ensemble comprises 1 model structures
 * Program completed