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   46(M  57 ) and   47(M  59 )                               
 chain break between   59(M  71 ) and   60(M  73 )                               
 chain break between   64(M  77 ) and   65(M  88 )                               
 chain break between  112(M 135 ) and  113(M 137 )                               
 chain break between  125(M 149 ) and  126(M 151 )                               
 number of hydrogen bonds is    84                                               
 side chain atoms swapped for                                                    
 PHE    1  PHE    3  PHE   35  ASP   36  PHE   67  PHE   69  GLU   72  ASP  102  
 PHE  123  PHE  129                                                              

 * NMR ensemble comprises 1 model structures
 * Program completed