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   17 (M  19 ) and   18 (M  21 )
 Chain break between   26 (M  29 ) and   27 (M  31 )
 Chain break between   65 (M  69 ) and   66 (M  80 )
 Chain break between   83 (M  97 ) and   84 (M  99 )
 Chain break between   92 (M 107 ) and   93 (M 109 )
 Average value of CA-N-C-CB angle is  34.50
 Standard deviation is                 0.69
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * PHE M   5  GLU M  19  ASP M  25  ARG M  35  ASP M  60  GLU M  61  ARG M  68     
 * PHE M  88  GLU M 102  TYR M 111  TYR M 112  ARG M 113  ASP M 122  ARG M 133     
 WARNING: Number of atoms/hetatms in new file differs from old file - 
           new number =  1118
           old number =     0
 * ASP M 138  TYR M 141                                                            
 Total number of residues that need to be changed and total number of residues:
     ALA     0     6
     ASP     4     6
     GLU     3    10
     PHE     2     4
     GLY     0     2
     HIS     0     6
     ILE     0     8
     LYS     0    12
     LEU     0    12
     ASN     0    10
     PRO     0     2
     GLN     0    10
     ARG     4     6
     SER     0    11
     THR     0     4
     VAL     0    14
     TYR     3     8

 * NMR ensemble comprises 1 model structures
 * Program completed