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   54(M  55 ) and   55(M  58 )                               
 chain break between  120(M 123 ) and  121(M 134 )                               
 third (+) Hbond (N-C)  176   172 energy  -0.62 abandoned                        
 number of hydrogen bonds is   202                                               
 side chain atoms swapped for                                                    
 GLU   15  TYR  129  GLU  130  GLU  167  PHE  184  GLU  196  GLU  219            

 * NMR ensemble comprises 1 model structures
 * Program completed