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   90(M 148 ) and   91(M 159 )                               
 chain break between  180(M 248 ) and  181(M 259 )                               
 chain break between  269(M 347 ) and  270(M 358 )                               
 third (+) Hbond (N-C)  159   156 energy  -1.28 abandoned                        
 number of hydrogen bonds is   283                                               
 side chain atoms swapped for                                                    
 TYR    7  ASP   17  ASP   33  TYR   36  GLU   48  GLU   65  ASP   75  GLU   78  
 ASP  107  ASP  123  TYR  131  ASP  145  ASP  165  ASP  212  TYR  219  TYR  220  
 GLU  227  GLU  244  GLU  248  ASP  254  GLU  257  ASP  260  ASP  283  TYR  286  
 GLU  298  ASP  308  ASP  325  ASP  331                                          

 * NMR ensemble comprises 1 model structures
 * Program completed