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    9(M 431 ) and   10(M 434 )                               
 chain break between   85(M 509 ) and   86(M 511 )                               
 chain break between  115(M 540 ) and  116(M 551 )                               
 chain break between  192(M 627 ) and  193(M 629 )                               
 number of hydrogen bonds is   129                                               
 side chain atoms swapped for                                                    
 ASP    4  GLU   33  TYR   54  TYR   60  GLU   71  GLU   72  GLU   84  TYR   86  
 GLU  103  ASP  111  PHE  118  TYR  161  TYR  167  GLU  179  TYR  193  GLU  210  
 GLU  224                                                                        

 * NMR ensemble comprises 1 model structures
 * Program completed