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
 chain break between   80(M  80 ) and   81(M  91 )                               
 number of hydrogen bonds is   107                                               

    Processing NMR model 2
 chain break between   80(M  80 ) and   81(M  91 )                               
 third (+) Hbond (N-C)  155   151 energy  -0.61 abandoned                        
 number of hydrogen bonds is   114                                               

    Processing NMR model 3
 chain break between   80(M  80 ) and   81(M  91 )                               
 number of hydrogen bonds is   113                                               

    Processing NMR model 4
 chain break between   80(M  80 ) and   81(M  91 )                               
 number of hydrogen bonds is   116                                               

    Processing NMR model 5
 chain break between   80(M  80 ) and   81(M  91 )                               
 number of hydrogen bonds is   115                                               

    Processing NMR model 6
 chain break between   80(M  80 ) and   81(M  91 )                               
 third (+) Hbond (N-C)   45    40 energy  -0.59 abandoned                        
 number of hydrogen bonds is   116                                               

    Processing NMR model 7
 chain break between   80(M  80 ) and   81(M  91 )                               
 number of hydrogen bonds is   113                                               

    Processing NMR model 8
 chain break between   80(M  80 ) and   81(M  91 )                               
 number of hydrogen bonds is   116                                               

    Processing NMR model 9
 chain break between   80(M  80 ) and   81(M  91 )                               
 number of hydrogen bonds is   115                                               

    Processing NMR model 10
 chain break between   80(M  80 ) and   81(M  91 )                               
 number of hydrogen bonds is   107                                               

    Processing NMR model 11
 chain break between   80(M  80 ) and   81(M  91 )                               
 number of hydrogen bonds is   111                                               

    Processing NMR model 12
 chain break between   80(M  80 ) and   81(M  91 )                               
 number of hydrogen bonds is   111                                               

    Processing NMR model 13
 chain break between   80(M  80 ) and   81(M  91 )                               
 number of hydrogen bonds is   104                                               

    Processing NMR model 14
 chain break between   80(M  80 ) and   81(M  91 )                               
 number of hydrogen bonds is   118                                               

    Processing NMR model 15
 chain break between   80(M  80 ) and   81(M  91 )                               
 number of hydrogen bonds is   111                                               

    Processing NMR model 16
 chain break between   80(M  80 ) and   81(M  91 )                               
 third (+) Hbond (N-C)  150   146 energy  -0.51 abandoned                        
 number of hydrogen bonds is   112                                               

    Processing NMR model 17
 chain break between   80(M  80 ) and   81(M  91 )                               
 number of hydrogen bonds is   105                                               

    Processing NMR model 18
 chain break between   80(M  80 ) and   81(M  91 )                               
 number of hydrogen bonds is   107                                               

    Processing NMR model 19
 chain break between   80(M  80 ) and   81(M  91 )                               
 number of hydrogen bonds is   112                                               
 side chain atoms swapped for                                                    
 TYR   33                                                                        

    Processing NMR model 20
 chain break between   80(M  80 ) and   81(M  91 )                               
 third (+) Hbond (N-C)   45    41 energy  -0.60 abandoned                        
 number of hydrogen bonds is   108                                               

 * NMR ensemble comprises 20 model structures
 * Program completed