
=============================== Model properties ==============================

   Number of:
     all atoms      : 4750
     H or D atoms   : 2119
     chains         : 2
     a.a. residues  : 300
     nucleotides    : 0
     water          : 423
     other (ligands): 0
   Ligands: None

============================= Geometry restraints =============================


                        ----------Bond lengths----------                       

  All restrained atoms within 4.0 sigma of ideal values.

  Min. delta:    0.000 (Z=  0.000)
  Max. delta:    0.016 (Z=  0.786)
  Mean delta:    0.003 (Z=  0.174)

                        ----------Bond angles----------                        

  All restrained atoms within 4.0 sigma of ideal values.

  Min. delta:    0.000 (Z=  0.000)
  Max. delta:    5.763 (Z=  3.033)
  Mean delta:    0.917 (Z=  0.431)

                      ----------Dihedral angles----------                      

  All restrained atoms within 4.0 sigma of ideal values.

  Min. delta:    0.000 (Z=  0.000)
  Max. delta:   79.052 (Z=  3.237)
  Mean delta:   11.401 (Z=  0.699)

                       ----------Chiral volumes----------                      

  All restrained atoms within 4.0 sigma of ideal values.

  Min. delta:    0.000
  Max. delta:    0.134
  Mean delta:    0.040

                       ----------Planar groups----------                       

  All restrained atoms within 4.0 sigma of ideal values.

  Min. delta:    0.000
  Max. delta:    0.026
  Mean delta:    0.003

============================= Hydrogen validation =============================


                ----------H/D atoms in the input model----------               

  Total number of hydrogen atoms : 2119
  Total number of deuterium atoms: 0
  Number of H atoms (protein)    : 2119
  Number of D atoms (protein)    : 0
  Number of H atoms (water)      : 0
  Number of D atoms (water)      : 0
  Number of H atoms (other)      : 0
  Number of D atoms (other)      : 0

                      ----------Water molecules----------                      

  Number of water                            : 423
  Number of water with 0 H (or D)            : 423
  Number of water with 1 H (or D)            : 0
  Number of water with 2 H (or D)            : 0
  Number of water in alternative conformation: 0
  Number of water without oxygen atom        : 0

                    ----------MISSING H or D atoms----------                   

  HIS A   5  conformer  : HE2 
  HIS A   6  conformer  : HE2 
  HIS A   7  conformer  : HE2 
  HIS A   8  conformer  : HE2 
  HIS A   9  conformer  : HE2 
  HIS A  10  conformer  : HE2 
  HIS A  20  conformer  : HE2 
  HIS A  92  conformer  : HE2 
  CYS A 191  conformer  : HG 
  HIS A 225  conformer  : HE2 
  CYS A 227  conformer  : HG 
  CYS A 261  conformer  : HG 
  CYS A 277  conformer  : HG 

============================ Molprobity validation ============================


  Geometry Restraints Library: GeoStd + Monomer Library
  Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
    Bond      :  0.003   0.016   2262  Z= 0.174
    Angle     :  0.917   5.763   3077  Z= 0.431
    Chirality :  0.040   0.134    335
    Planarity :  0.003   0.026    409
    Dihedral  : 11.401  79.052    803
    Min Nonbonded Distance : 2.531
  
  Molprobity Statistics.
    All-atom Clashscore : 0.00
    Ramachandran Plot:
      Outliers :  0.00 %
      Allowed  :  2.01 %
      Favored  : 97.99 %
    Rotamer:
      Outliers :  0.42 %
      Allowed  :  5.51 %
      Favored  : 94.07 %
    Cbeta Deviations :  0.00 %
    Peptide Plane:
      Cis-proline     : 0.00 %
      Cis-general     : 0.00 %
      Twisted Proline : 0.00 %
      Twisted General : 0.00 %
  
  Rama-Z values with (uncertainties):
  Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
  Scores below are scaled independently, so they are not related in a simple way.
    whole:  2.71 (0.56), residues: 298
    helix:  2.87 (0.57), residues: 99
    sheet:  1.66 (0.58), residues: 63
    loop :  1.18 (0.69), residues: 136
  
  Max deviation from planes:
     Type  MaxDev  MeanDev LineInFile
   ARG   0.001   0.000   ARG A 273 
   TYR   0.001   0.000   TYR A  75 
   PHE   0.002   0.000   PHE A  43 
   TRP   0.001   0.000   TRP A 173 
   HIS   0.001   0.000   HIS A 225 
  
  Details of bonding type rmsd
    covalent geometry    : bond        0.00334 ( 2260)
    covalent geometry    : angle       0.91764 ( 3073)
    SS BOND              : bond        0.00142 (    2)
    SS BOND              : angle       0.38879 (    4)

                     ----------Asn/Gln/His flips----------                     

   A 216  GLN

=================================== Summary ===================================

  Ramachandran outliers =   0.00 %
                favored =  97.99 %
  Rotamer outliers      =   0.42 %
  C-beta deviations     =     0
  Clashscore            =   0.00
  RMS(bonds)            =   0.0033
  RMS(angles)           =   0.92
  MolProbity score      =   0.50
