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   27 (M  51 ) and   28 (M  53 )
 Chain break between   31 (M  56 ) and   32 (M  58 )
 Chain break between  105 (M 131 ) and  106 (M 142 )
 Chain break between  133 (M 169 ) and  134 (M 171 )
 Chain break between  137 (M 174 ) and  138 (M 176 )
 Chain break between  200 (M 238 ) and  201 (M 240 )
 Average value of CA-N-C-CB angle is  34.83
 Standard deviation is                 0.92
 * 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 =  1665
           old number =     0
 * ARG M 191  ASP M 216  PHE M 250                                                 
 Total number of residues that need to be changed and total number of residues:
     ALA     0    13
     CYS     0     2
     ASP     1    12
     GLU     0    14
     PHE     1     3
     GLY     0    20
     ILE     0    16
     LYS     0    16
     LEU     0     8
     ASN     0    12
     PRO     0     6
     GLN     0    11
     ARG     1     8
     SER     0    16
     THR     0    20
     VAL     0    20
     TRP     0     8
     TYR     0     6

 * NMR ensemble comprises 1 model structures
 * Program completed