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   43 (M  44 ) and   44 (M  46 )
 Chain break between   50 (M  52 ) and   51 (M  64 )
 Chain break between   93 (M 106 ) and   94 (M 108 )
 Chain break between   96 (M 110 ) and   97 (M 122 )
 Chain break between  139 (M 164 ) and  140 (M 166 )
 Average value of CA-N-C-CB angle is  34.51
 Standard deviation is                 0.49
 * 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 =  1211
           old number =     0
 * PHE M  41  TYR M  99  PHE M 161                                                 
 Total number of residues that need to be changed and total number of residues:
     ALA     0    21
     GLU     0    19
     PHE     2     3
     GLY     0     6
     ILE     0    12
     LYS     0    23
     LEU     0    12
     ASN     0     9
     GLN     0     9
     ARG     0     9
     SER     0    11
     THR     0     6
     VAL     0     5
     TYR     1     3

 * NMR ensemble comprises 1 model structures
 * Program completed