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  119(M 203 ) and  120(M 214 )                               
 chain break between  238(M 332 ) and  239(M 343 )                               
 chain break between  301(M 405 ) and  302(M 416 )                               
 third (+) Hbond (N-C)  286   281 energy  -0.51 abandoned                        
 number of hydrogen bonds is   217                                               
 side chain atoms swapped for                                                    
 TYR    5  PHE   50  PHE   82  TYR  124  PHE  169  PHE  173  PHE  201  GLU  207  
 PHE  267  TYR  280  PHE  285  PHE  328  PHE  346                                

 * NMR ensemble comprises 1 model structures
 * Program completed