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   43(M  44 ) and   44(M  46 )                               
 chain break between   50(M  52 ) and   51(M  64 )                               
 chain break between   93(M 106 ) and   94(M 108 )                               
 chain break between   96(M 110 ) and   97(M 122 )                               
 chain break between  139(M 164 ) and  140(M 166 )                               
 third (+) Hbond (N-C)   19    15 energy  -0.58 abandoned                        
 third (+) Hbond (N-C)  115   111 energy  -0.67 abandoned                        
 number of hydrogen bonds is   109                                               
 side chain atoms swapped for                                                    
 PHE   40  TYR   86  PHE  136                                                    

 * NMR ensemble comprises 1 model structures
 * Program completed