CLEAN - Clean-up program
------------------------
 


 Clean-up program CLEAN - Written by David Keith Smith, 1989.
                          Amended by Roman 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  104 (M 108 ) and  105 (M 110 )
 Chain break between  132 (M 137 ) and  133 (M 139 )
 Chain break between  156 (M 162 ) and  157 (M 173 )
 Chain break between  260 (M 276 ) and  261 (M 278 )
 Chain break between  288 (M 305 ) and  289 (M 307 )
 Chain break between  312 (M 330 ) and  313 (M 341 )
 Chain break between  416 (M 444 ) and  417 (M 446 )
 Chain break between  444 (M 473 ) and  445 (M 475 )
 Chain break between  468 (M 498 ) and  469 (M 509 )
 Chain break between  572 (M 612 ) and  573 (M 614 )
 Chain break between  600 (M 641 ) and  601 (M 643 )
 Average value of CA-N-C-CB angle is  34.76
 Standard deviation is                 1.05
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * GLU M  12  ARG M  23  ASP M  24  ARG M  25  TYR M  42  PHE M  54  TYR M  78     
 * GLU M  79  GLU M  96  ASP M 103  TYR M 110  ARG M 111  GLU M 180  ARG M 191     
 * ASP M 192  ARG M 193  TYR M 210  PHE M 222  TYR M 246  GLU M 247  GLU M 264     
 * ASP M 271  TYR M 278  ARG M 279  GLU M 348  ARG M 359  ASP M 360  ARG M 361     
 * TYR M 378  PHE M 390  TYR M 414  GLU M 415  GLU M 432  ASP M 439  TYR M 446     
 * ARG M 447  GLU M 516  ARG M 527  ASP M 528  ARG M 529  TYR M 546  PHE M 558     
 WARNING: Number of atoms/hetatms in new file differs from old file - 
           new number =  5208
           old number =     0
 * TYR M 582  GLU M 583  GLU M 600  ASP M 607  TYR M 614  ARG M 615                
 Total number of residues that need to be changed and total number of residues:
     ALA     0    40
     CYS     0     8
     ASP     8    36
     GLU    12    48
     PHE     4    24
     GLY     0    40
     HIS     0    16
     ILE     0    44
     LYS     0    52
     LEU     0    64
     ASN     0    28
     PRO     0    40
     GLN     0    16
     ARG    12    40
     SER     0    12
     THR     0    32
     VAL     0    36
     TRP     0    24
     TYR    12    24

 * NMR ensemble comprises 1 model structures
 * Program completed