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    1 (M 151 ) and    2 (M 153 )
 Chain break between   34 (M 185 ) and   35 (M 188 )
 Chain break between   48 (M 201 ) and   49 (M 205 )
 Chain break between   77 (M 233 ) and   78 (M 244 )
 Chain break between   79 (M 245 ) and   80 (M 247 )
 Chain break between  112 (M 279 ) and  113 (M 282 )
 Chain break between  126 (M 295 ) and  127 (M 298 )
 Chain break between  158 (M 329 ) and  159 (M 341 )
 Chain break between  191 (M 373 ) and  192 (M 376 )
 Chain break between  205 (M 389 ) and  206 (M 393 )
 Chain break between  236 (M 423 ) and  237 (M 434 )
 Chain break between  237 (M 434 ) and  238 (M 436 )
 Chain break between  270 (M 468 ) and  271 (M 471 )
 Chain break between  283 (M 483 ) and  284 (M 488 )
 Average value of CA-N-C-CB angle is  34.50
 Standard deviation is                 1.92
 * 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 =  2550
           old number =     0
 * TYR M 198  PHE M 254  TYR M 386  TYR M 481  GLU M 511                           
 Total number of residues that need to be changed and total number of residues:
     ALA     0    12
     CYS     0    12
     ASP     0    12
     GLU     1    21
     PHE     1     4
     GLY     0    16
     HIS     0     9
     ILE     0    20
     LYS     0    24
     LEU     0    32
     ASN     0     8
     PRO     0    24
     GLN     0    11
     ARG     0    24
     SER     0     9
     THR     0    21
     VAL     0    40
     TRP     0     8
     TYR     3     4

 * NMR ensemble comprises 1 model structures
 * Program completed