SECSTR - Secondary structure assignment
---------------------------------------
 

 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 1
 number of hydrogen bonds is    40                                               
 side chain atoms swapped for                                                    
 ASP   11  GLU   28  GLU   37  GLU   38  PHE   43  GLU   60                      

    Processing NMR model 2
 number of hydrogen bonds is    39                                               
 side chain atoms swapped for                                                    
 PHE    4  PHE   18  PHE   26  GLU   37  ASP   49  ASP   50  ASP   66            

    Processing NMR model 3
 number of hydrogen bonds is    41                                               
 side chain atoms swapped for                                                    
 GLU   28                                                                        

    Processing NMR model 4
 number of hydrogen bonds is    42                                               
 side chain atoms swapped for                                                    
 ASP   11  PHE   43                                                              

    Processing NMR model 5
 number of hydrogen bonds is    39                                               
 side chain atoms swapped for                                                    
 PHE    4  GLU   12  GLU   21  TYR   27  ASP   66                                

    Processing NMR model 6
 number of hydrogen bonds is    45                                               
 side chain atoms swapped for                                                    
 PHE    4  PHE   18  PHE   26  GLU   28  GLU   38                                

    Processing NMR model 7
 number of hydrogen bonds is    39                                               
 side chain atoms swapped for                                                    
 ASP   11  ASP   15  PHE   18  TYR   27  GLU   37  GLU   38  PHE   43  ASP   49  

    Processing NMR model 8
 number of hydrogen bonds is    38                                               
 side chain atoms swapped for                                                    
 ASP   15  GLU   21  TYR   27  PHE   43                                          

    Processing NMR model 9
 number of hydrogen bonds is    36                                               
 side chain atoms swapped for                                                    
 PHE    4  ASP   15  PHE   18  PHE   26  GLU   38  ASP   66                      

    Processing NMR model 10
 number of hydrogen bonds is    45                                               
 side chain atoms swapped for                                                    
 PHE    4  PHE   26  GLU   28  GLU   37                                          

 * NMR ensemble comprises 10 model structures
 * Program completed