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   19(M  25 ) and   20(M  34 )                               
 chain break between   33(M  47 ) and   34(M  52 )                               
 chain break between   38(M  56 ) and   39(M  58 )                               
 chain break between   82(M 101 ) and   83(M 106 )                               
 chain break between   96(M 119 ) and   97(M 121 )                               
 chain break between  101(M 125 ) and  102(M 136 )                               
 chain break between  120(M 154 ) and  121(M 163 )                               
 chain break between  134(M 176 ) and  135(M 181 )                               
 chain break between  139(M 185 ) and  140(M 187 )                               
 chain break between  183(M 230 ) and  184(M 235 )                               
 chain break between  197(M 248 ) and  198(M 250 )                               
 chain break between  202(M 254 ) and  203(M 265 )                               
 chain break between  221(M 283 ) and  222(M 292 )                               
 chain break between  235(M 305 ) and  236(M 310 )                               
 chain break between  240(M 314 ) and  241(M 316 )                               
 chain break between  284(M 359 ) and  285(M 364 )                               
 chain break between  298(M 377 ) and  299(M 379 )                               
 chain break between  303(M 383 ) and  304(M 394 )                               
 chain break between  322(M 412 ) and  323(M 421 )                               
 chain break between  336(M 434 ) and  337(M 439 )                               
 chain break between  341(M 443 ) and  342(M 445 )                               
 chain break between  385(M 488 ) and  386(M 493 )                               
 chain break between  399(M 506 ) and  400(M 508 )                               
 third (+) Hbond (N-C)   66    63 energy  -0.62 abandoned                        
 third (+) Hbond (N-C)  167   164 energy  -0.74 abandoned                        
 third (+) Hbond (N-C)  268   265 energy  -0.78 abandoned                        
 third (+) Hbond (N-C)  369   366 energy  -0.69 abandoned                        
 number of hydrogen bonds is   244                                               
 side chain atoms swapped for                                                    
 ASP   35  GLU   41  GLU   62  ASP  136  GLU  142  GLU  163  ASP  237  GLU  243  
 GLU  264  ASP  338  GLU  344  GLU  365                                          

 * NMR ensemble comprises 1 model structures
 * Program completed