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
 third (+) Hbond (N-C)   56    51 energy  -0.58 abandoned                        
 number of hydrogen bonds is    44                                               
 side chain atoms swapped for                                                    
 TYR   57  TYR   58                                                              

    Processing NMR model 2
 number of hydrogen bonds is    42                                               
 side chain atoms swapped for                                                    
 TYR   57                                                                        

    Processing NMR model 3
 number of hydrogen bonds is    47                                               
 side chain atoms swapped for                                                    
 TYR   57                                                                        

    Processing NMR model 4
 number of hydrogen bonds is    45                                               
 side chain atoms swapped for                                                    
 TYR   57  TYR   58                                                              

    Processing NMR model 5
 number of hydrogen bonds is    49                                               
 side chain atoms swapped for                                                    
 TYR   57                                                                        

    Processing NMR model 6
 number of hydrogen bonds is    44                                               
 side chain atoms swapped for                                                    
 TYR   57  TYR   58                                                              

    Processing NMR model 7
 number of hydrogen bonds is    47                                               
 side chain atoms swapped for                                                    
 TYR   57                                                                        

    Processing NMR model 8
 number of hydrogen bonds is    45                                               
 side chain atoms swapped for                                                    
 TYR   57                                                                        

    Processing NMR model 9
 number of hydrogen bonds is    53                                               
 side chain atoms swapped for                                                    
 TYR   57                                                                        

    Processing NMR model 10
 number of hydrogen bonds is    49                                               
 side chain atoms swapped for                                                    
 TYR   57                                                                        

    Processing NMR model 11
 number of hydrogen bonds is    43                                               
 side chain atoms swapped for                                                    
 TYR   57                                                                        

    Processing NMR model 12
 number of hydrogen bonds is    47                                               
 side chain atoms swapped for                                                    
 TYR   57                                                                        

    Processing NMR model 13
 number of hydrogen bonds is    45                                               
 side chain atoms swapped for                                                    
 TYR   57  TYR   58                                                              

    Processing NMR model 14
 number of hydrogen bonds is    47                                               
 side chain atoms swapped for                                                    
 TYR   57                                                                        

    Processing NMR model 15
 number of hydrogen bonds is    53                                               
 side chain atoms swapped for                                                    
 TYR   57  TYR   58                                                              

    Processing NMR model 16
 number of hydrogen bonds is    47                                               
 side chain atoms swapped for                                                    
 TYR   73                                                                        

    Processing NMR model 17
 number of hydrogen bonds is    46                                               
 side chain atoms swapped for                                                    
 TYR   57  TYR   58                                                              

    Processing NMR model 18
 number of hydrogen bonds is    45                                               
 side chain atoms swapped for                                                    
 TYR   57  TYR   58                                                              

    Processing NMR model 19
 number of hydrogen bonds is    46                                               
 side chain atoms swapped for                                                    
 TYR   57  TYR   58                                                              

    Processing NMR model 20
 number of hydrogen bonds is    46                                               
 side chain atoms swapped for                                                    
 TYR   57                                                                        

 * NMR ensemble comprises 20 model structures
 * Program completed