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   90 (M 148 ) and   91 (M 159 )
 Chain break between  180 (M 248 ) and  181 (M 259 )
 Chain break between  269 (M 347 ) and  270 (M 358 )
 Average value of CA-N-C-CB angle is  34.44
 Standard deviation is                 1.20
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * TYR M  65  ASP M  75  ASP M  91  TYR M  94  GLU M 106  GLU M 123  ASP M 133     
 * GLU M 136  ASP M 175  ASP M 191  TYR M 199  ASP M 213  ASP M 233  ASP M 290     
 * TYR M 297  TYR M 298  GLU M 305  GLU M 322  GLU M 326  ASP M 332  GLU M 335     
 * ASP M 338  ASP M 371  TYR M 374  GLU M 386  ASP M 396  ASP M 413  ASP M 419     
 WARNING: Number of atoms/hetatms in new file differs from old file - 
           new number =  2704
           old number =     0
 Total number of residues that need to be changed and total number of residues:
     ALA     0    37
     ASP    14    38
     GLU     8    44
     PHE     0     7
     GLY     0    19
     HIS     0    10
     ILE     0     8
     LYS     0    19
     LEU     0    45
     ASN     0     3
     PRO     0     7
     GLN     0    15
     ARG     0    19
     SER     0     8
     THR     0    23
     VAL     0    12
     TYR     6    23

 * NMR ensemble comprises 1 model structures
 * Program completed