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 1
 number of hydrogen bonds is   101                                               

    Processing NMR model 2
 number of hydrogen bonds is   103                                               

    Processing NMR model 3
 number of hydrogen bonds is    97                                               

    Processing NMR model 4
 third (+) Hbond (N-C)   20    17 energy  -0.97 abandoned                        
 number of hydrogen bonds is   103                                               

    Processing NMR model 5
 number of hydrogen bonds is   104                                               

    Processing NMR model 6
 third (+) Hbond (N-C)   45    42 energy  -0.67 abandoned                        
 number of hydrogen bonds is   104                                               

    Processing NMR model 7
 third (+) Hbond (N-C)   62    59 energy  -0.58 abandoned                        
 number of hydrogen bonds is    97                                               

    Processing NMR model 8
 number of hydrogen bonds is    98                                               

    Processing NMR model 9
 third (+) Hbond (N-C)   21    17 energy  -0.61 abandoned                        
 number of hydrogen bonds is    98                                               

    Processing NMR model 10
 number of hydrogen bonds is    92                                               

    Processing NMR model 11
 number of hydrogen bonds is    99                                               

    Processing NMR model 12
 number of hydrogen bonds is    98                                               

    Processing NMR model 13
 number of hydrogen bonds is   107                                               

    Processing NMR model 14
 number of hydrogen bonds is   104                                               
 side chain atoms swapped for                                                    
 PHE  117                                                                        

    Processing NMR model 15
 number of hydrogen bonds is   100                                               

    Processing NMR model 16
 number of hydrogen bonds is    97                                               

    Processing NMR model 17
 number of hydrogen bonds is    91                                               

    Processing NMR model 18
 third (+) Hbond (N-C)   21    17 energy  -0.88 abandoned                        
 number of hydrogen bonds is    97                                               

    Processing NMR model 19
 number of hydrogen bonds is    97                                               
 side chain atoms swapped for                                                    
 GLU   92                                                                        

    Processing NMR model 20
 third (+) Hbond (N-C)   21    17 energy  -0.54 abandoned                        
 third (+) Hbond (N-C)  125   120 energy  -0.57 abandoned                        
 number of hydrogen bonds is   106                                               
 side chain atoms swapped for                                                    
 GLU   44                                                                        

 * NMR ensemble comprises 20 model structures
 * Program completed