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   19 (M  25 ) and   20 (M  34 )
 Chain break between   33 (M  47 ) and   34 (M  52 )
 Chain break between   38 (M  56 ) and   39 (M  58 )
 Chain break between   82 (M 101 ) and   83 (M 106 )
 Chain break between   96 (M 119 ) and   97 (M 121 )
 Chain break between  101 (M 125 ) and  102 (M 136 )
 Chain break between  120 (M 154 ) and  121 (M 163 )
 Chain break between  134 (M 176 ) and  135 (M 181 )
 Chain break between  139 (M 185 ) and  140 (M 187 )
 Chain break between  183 (M 230 ) and  184 (M 235 )
 Chain break between  197 (M 248 ) and  198 (M 250 )
 Chain break between  202 (M 254 ) and  203 (M 265 )
 Chain break between  221 (M 283 ) and  222 (M 292 )
 Chain break between  235 (M 305 ) and  236 (M 310 )
 Chain break between  240 (M 314 ) and  241 (M 316 )
 Chain break between  284 (M 359 ) and  285 (M 364 )
 Chain break between  298 (M 377 ) and  299 (M 379 )
 Chain break between  303 (M 383 ) and  304 (M 394 )
 Chain break between  322 (M 412 ) and  323 (M 421 )
 Chain break between  336 (M 434 ) and  337 (M 439 )
 Chain break between  341 (M 443 ) and  342 (M 445 )
 Chain break between  385 (M 488 ) and  386 (M 493 )
 Chain break between  399 (M 506 ) and  400 (M 508 )
 Average value of CA-N-C-CB angle is  34.92
 Standard deviation is                 1.13
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * ASP M  53  GLU M  60  GLU M  81  ASP M 182  GLU M 189  GLU M 210  ASP M 311     
 WARNING: Number of atoms/hetatms in new file differs from old file - 
           new number =  3280
           old number =     0
 * GLU M 318  GLU M 339  ASP M 440  GLU M 447  GLU M 468                           
 Total number of residues that need to be changed and total number of residues:
     ALA     0    36
     ASP     4    32
     GLU     8    24
     PHE     0    24
     GLY     0    24
     HIS     0     4
     ILE     0    20
     LEU     0    52
     ASN     0     8
     PRO     0    24
     GLN     0    20
     ARG     0    36
     SER     0    32
     THR     0    16
     VAL     0    36
     TRP     0    16

 * NMR ensemble comprises 1 model structures
 * Program completed