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 0
 chain break between   69(M  90 ) and   70(M 101 )                               
 third (+) Hbond (N-C)  115   112 energy  -0.59 abandoned                        
 number of hydrogen bonds is   112                                               
 side chain atoms swapped for                                                    
 PHE    4  PHE   73  ASP   86  GLU  104  GLU  132                                

 * NMR ensemble comprises 1 model structures
 * Program completed