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  119 (M 203 ) and  120 (M 214 )
 Chain break between  238 (M 332 ) and  239 (M 343 )
 Chain break between  301 (M 405 ) and  302 (M 416 )
 Average value of CA-N-C-CB angle is  34.90
 Standard deviation is                 1.01
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * TYR M  89  PHE M 134  PHE M 166  TYR M 218  PHE M 263  PHE M 267  PHE M 295     
 WARNING: Number of atoms/hetatms in new file differs from old file - 
           new number =  2911
           old number =     0
 * GLU M 301  PHE M 371  TYR M 384  PHE M 389  PHE M 442  PHE M 460                
 Total number of residues that need to be changed and total number of residues:
     ALA     0    14
     CYS     0    14
     ASP     0    20
     GLU     1    31
     PHE     9    20
     GLY     0    22
     HIS     0    12
     ILE     0    28
     LYS     0    26
     LEU     0    32
     MET     0    16
     ASN     0    12
     PRO     0    16
     GLN     0     8
     ARG     0    16
     SER     0    22
     THR     0    18
     VAL     0    18
     TRP     0     8
     TYR     3     8

 * NMR ensemble comprises 1 model structures
 * Program completed