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   46 (M  57 ) and   47 (M  59 )
 Chain break between   59 (M  71 ) and   60 (M  73 )
 Chain break between   64 (M  77 ) and   65 (M  88 )
 Chain break between  112 (M 135 ) and  113 (M 137 )
 Chain break between  125 (M 149 ) and  126 (M 151 )
 Average value of CA-N-C-CB angle is  34.38
 Standard deviation is                 1.48
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * PHE M  12  PHE M  14  PHE M  46  ASP M  47  PHE M  90  PHE M  92  GLU M  95     
 WARNING: Number of atoms/hetatms in new file differs from old file - 
           new number =  1079
           old number =     0
 * ASP M 125  PHE M 147  PHE M 154                                                 
 Total number of residues that need to be changed and total number of residues:
     ALA     0     9
     ASP     2     6
     GLU     1    17
     PHE     7    12
     GLY     0     8
     HIS     0     4
     ILE     0     8
     LYS     0    11
     LEU     0     8
     ASN     0     8
     PRO     0     4
     GLN     0     2
     ARG     0     4
     SER     0     8
     THR     0    12
     VAL     0     4
     TRP     0     4

 * NMR ensemble comprises 1 model structures
 * Program completed