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  117(M 117 ) and  118(M 128 )                               
 chain break between  234(M 244 ) and  235(M 255 )                               
 chain break between  351(M 371 ) and  352(M 382 )                               
 third (+) Hbond (N-C)  132   127 energy  -0.51 abandoned                        
 third (+) Hbond (N-C)  249   244 energy  -0.52 abandoned                        
 third (+) Hbond (N-C)  366   361 energy  -0.56 abandoned                        
 number of hydrogen bonds is   294                                               
 side chain atoms swapped for                                                    
 PHE    6  ASP    8  ASP   27  TYR   28  ASP   37  ASP   56  GLU   69  PHE  123  
 ASP  125  ASP  144  TYR  145  ASP  154  ASP  173  GLU  186  PHE  240  ASP  242  
 TYR  243  ASP  261  TYR  262  ASP  271  ASP  290  GLU  303  PHE  357  ASP  359  
 ASP  378  TYR  379  ASP  388  ASP  407  GLU  420                                

 * NMR ensemble comprises 1 model structures
 * Program completed