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  159 (M 174 ) and  160 (M 184 )
 Chain break between  173 (M 197 ) and  174 (M 208 )
 Chain break between  332 (M 366 ) and  333 (M 376 )
 Average value of CA-N-C-CB angle is  34.78
 Standard deviation is                 0.94
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * GLU M  16  ASP M  19  PHE M  20  GLU M  38  GLU M  73  ASP M  87  PHE M 127     
 * GLU M 135  ARG M 173  GLU M 196  ASP M 211  PHE M 212  GLU M 230  GLU M 265     
 WARNING: Number of atoms/hetatms in new file differs from old file - 
           new number =  2656
           old number =     0
 * ASP M 279  PHE M 319  GLU M 327  ARG M 365                                      
 Total number of residues that need to be changed and total number of residues:
     ALA     0    30
     CYS     0     6
     ASP     4    14
     GLU     8    24
     PHE     4    12
     GLY     0    28
     HIS     0     4
     ILE     0    18
     LYS     0    22
     LEU     0    54
     ASN     0    18
     PRO     0    18
     GLN     0    28
     ARG     2     6
     SER     0    20
     THR     0    10
     VAL     0    22
     TRP     0     4
     TYR     0     8

 * NMR ensemble comprises 1 model structures
 * Program completed