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    4 (M 268 ) and    5 (M 270 )
 Chain break between   50 (M 315 ) and   51 (M 317 )
 Chain break between  133 (M 399 ) and  134 (M 410 )
 Chain break between  138 (M 414 ) and  139 (M 416 )
 Chain break between  184 (M 461 ) and  185 (M 463 )
 Chain break between  267 (M 545 ) and  268 (M 556 )
 Chain break between  271 (M 559 ) and  272 (M 561 )
 Chain break between  296 (M 585 ) and  297 (M 589 )
 Chain break between  314 (M 606 ) and  315 (M 608 )
 Chain break between  397 (M 690 ) and  398 (M 701 )
 Chain break between  401 (M 704 ) and  402 (M 706 )
 Chain break between  447 (M 751 ) and  448 (M 753 )
 Average value of CA-N-C-CB angle is  33.95
 Standard deviation is                 1.44
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * TYR M 267  TYR M 298  GLU M 306  GLU M 318  TYR M 329  PHE M 337  GLU M 360     
 * TYR M 397  TYR M 444  GLU M 452  GLU M 464  TYR M 475  PHE M 483  GLU M 490     
 * GLU M 506  TYR M 510  PHE M 511  GLU M 597  GLU M 609  TYR M 620  PHE M 628     
 * GLU M 635  GLU M 651  TYR M 655  PHE M 656  TYR M 688  TYR M 703  GLU M 727     
 * GLU M 742  GLU M 754  TYR M 765  PHE M 773  GLU M 795  GLU M 796  PHE M 801     
 WARNING: Number of atoms/hetatms in new file differs from old file - 
           new number =  4366
           old number =     0
 * TYR M 833                                                                       
 Total number of residues that need to be changed and total number of residues:
     ALA     0    47
     ASP     0    20
     GLU    16    44
     PHE     7    32
     GLY     0    28
     HIS     0     4
     ILE     0    32
     LYS     0    35
     LEU     0    48
     ASN     0    12
     PRO     0    24
     GLN     0    28
     ARG     0    45
     SER     0    56
     THR     0     7
     VAL     0    32
     TYR    13    36

 * NMR ensemble comprises 1 model structures
 * Program completed