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  108 (M 110 ) and  109 (M 127 )
 Chain break between  129 (M 147 ) and  130 (M 158 )
 Chain break between  240 (M 268 ) and  241 (M 284 )
 Average value of CA-N-C-CB angle is  34.90
 Standard deviation is                 0.93
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 WARNING: Number of atoms/hetatms in new file differs from old file - 
           new number =  2001
           old number =     0
 * ASP M  42  GLU M  51  TYR M 175  GLU M 245                                      
 Total number of residues that need to be changed and total number of residues:
     ALA     0    22
     ASP     1    14
     GLU     2    24
     PHE     0     4
     GLY     0    18
     HIS     0     2
     ILE     0     6
     LYS     0     8
     LEU     0    32
     MET     0     4
     ASN     0     2
     PRO     0    22
     GLN     0     8
     ARG     0    30
     SER     0    12
     THR     0    16
     VAL     0    24
     TRP     0     8
     TYR     1     4

 * NMR ensemble comprises 1 model structures
 * Program completed