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***  without_ca_sim2  ***

B-factor analysis for ID 21010710030744224

Overall B-factor prediction

%Bfactors-Wn> Experimental B-factors are nearly constant !

B-factors for all residues

Residue-by-residue B-factor prediction for CA atoms

B-factors are computed based on the first 100 normal modes (B-PREDICT) and are scaled to match the overall B-factors in the submitted model (B-SCALED). A high correlation with the observations is an indicator that the normal modes capture well the overall flexibility features of the model. Comparison of the observed (B-OBS, blue) and the computed (B-SCALED, red) B-factors for all C-alpha atoms is presented below. Differences between B-factors from normal mode analysis and from X-ray crystallographic data may for example indicate regions where the protein flexibility is modified due to external factors such as tight crystall-packing.

  ATOM TYP  RES  RESID   B-PREDICT    B-SCALED      B-OBS
B-SCALEDB-OBS
     1 CA   ALA      2     14.3692      0.0000      0.0000
     2 CA   CYS      3     19.2860      0.0000      0.0000
     3 CA   PRO      4     12.3834      0.0000      0.0000
     4 CA   LEU      5     11.2215      0.0000      0.0000
     5 CA   GLU      6     14.7077      0.0000      0.0000
     6 CA   LYS      7     12.7332      0.0000      0.0000
     7 CA   ALA      8     10.9472      0.0000      0.0000
     8 CA   LEU      9     13.4505      0.0000      0.0000
     9 CA   ASP     10     14.1016      0.0000      0.0000
    10 CA   VAL     11     12.0658      0.0000      0.0000
    11 CA   MET     12     13.1648      0.0000      0.0000
    12 CA   VAL     13     14.7828      0.0000      0.0000
    13 CA   SER     14     15.5865      0.0000      0.0000
    14 CA   THR     15     16.5328      0.0000      0.0000
    15 CA   PHE     16     14.9612      0.0000      0.0000
    16 CA   HIS     17     15.2534      0.0000      0.0000
    17 CA   LYS     18     18.2244      0.0000      0.0000
    18 CA   TYR     19     19.9288      0.0000      0.0000
    19 CA   SER     20     18.6128      0.0000      0.0000
    20 CA   GLY     21     25.7904      0.0000      0.0000
    21 CA   LYS     22     35.8600      0.0000      0.0000
    22 CA   GLU     23     46.3072      0.0000      0.0000
    23 CA   GLY     24     34.0881      0.0000      0.0000
    24 CA   ASP     25     25.6487      0.0000      0.0000
    25 CA   LYS     26     21.6796      0.0000      0.0000
    26 CA   PHE     27     29.7389      0.0000      0.0000
    27 CA   LYS     28     15.6387      0.0000      0.0000
    28 CA   LEU     29     17.3158      0.0000      0.0000
    29 CA   ASN     30     18.9621      0.0000      0.0000
    30 CA   LYS     31     18.5060      0.0000      0.0000
    31 CA   SER     32     21.4837      0.0000      0.0000
    32 CA   GLU     33     17.6710      0.0000      0.0000
    33 CA   LEU     34     17.0376      0.0000      0.0000
    34 CA   LYS     35     18.5296      0.0000      0.0000
    35 CA   GLU     36     16.7854      0.0000      0.0000
    36 CA   LEU     37     16.2610      0.0000      0.0000
    37 CA   LEU     38     16.2111      0.0000      0.0000
    38 CA   THR     39     15.3046      0.0000      0.0000
    39 CA   ARG     40     17.3872      0.0000      0.0000
    40 CA   GLU     41     18.8616      0.0000      0.0000
    41 CA   LEU     42     17.9104      0.0000      0.0000
    42 CA   PRO     43     18.9177      0.0000      0.0000
    43 CA   SER     44     30.3349      0.0000      0.0000
    44 CA   PHE     45     39.5780      0.0000      0.0000
    45 CA   LEU     46     40.8796      0.0000      0.0000
    46 CA   GLY     47     37.7389      0.0000      0.0000
    47 CA   LYS     48     50.6487      0.0000      0.0000
    48 CA   ARG     49     95.0244      0.0000      0.0000
    49 CA   THR     50    213.7302      0.0000      0.0000
    50 CA   ASP     51     75.0429      0.0000      0.0000
    51 CA   GLU     52     37.2565      0.0000      0.0000
    52 CA   ALA     53     44.6915      0.0000      0.0000
    53 CA   ALA     54     46.7281      0.0000      0.0000
    54 CA   PHE     55     32.0393      0.0000      0.0000
    55 CA   GLN     56     35.0083      0.0000      0.0000
    56 CA   LYS     57     44.4784      0.0000      0.0000
    57 CA   LEU     58     35.6092      0.0000      0.0000
    58 CA   MET     59     30.2935      0.0000      0.0000
    59 CA   SER     60     44.9757      0.0000      0.0000
    60 CA   ASN     61     42.9014      0.0000      0.0000
    61 CA   LEU     62     32.6156      0.0000      0.0000
    62 CA   ASP     63     59.1414      0.0000      0.0000
    63 CA   SER     64     71.6108      0.0000      0.0000
    64 CA   ASN     65     97.2493      0.0000      0.0000
    65 CA   ARG     66     78.6309      0.0000      0.0000
    66 CA   ASP     67     41.7254      0.0000      0.0000
    67 CA   ASN     68     27.1141      0.0000      0.0000
    68 CA   GLU     69     16.8103      0.0000      0.0000
    69 CA   VAL     70     12.4753      0.0000      0.0000
    70 CA   ASP     71     11.7783      0.0000      0.0000
    71 CA   PHE     72     11.9254      0.0000      0.0000
    72 CA   GLN     73     11.0864      0.0000      0.0000
    73 CA   GLU     74     12.3513      0.0000      0.0000
    74 CA   TYR     75     15.1520      0.0000      0.0000
    75 CA   CYS     76     14.6343      0.0000      0.0000
    76 CA   VAL     77     17.4266      0.0000      0.0000
    77 CA   PHE     78     25.8401      0.0000      0.0000
    78 CA   LEU     79     23.6784      0.0000      0.0000
    79 CA   SER     80     23.3380      0.0000      0.0000
    80 CA   CYS     81     36.2203      0.0000      0.0000
    81 CA   ILE     82     37.9032      0.0000      0.0000
    82 CA   ALA     83     27.2878      0.0000      0.0000
    83 CA   MET     84     36.8024      0.0000      0.0000
    84 CA   MET     85     48.7795      0.0000      0.0000
    85 CA   CYS     86     45.3078      0.0000      0.0000
    86 CA   ASN     87     29.5939      0.0000      0.0000
    87 CA   GLU     88   1908.0386      0.0000      0.0000
    88 CA   PHE     89   5413.7221      0.0000      0.0000
    89 CA   PHE     90  17879.0967      0.0000      0.0000
    90 CA   GLU     91   4439.6153      0.0000      0.0000
    91 CA   GLY     92   1702.3439      0.0000      0.0000
    92 CA   PHE     93    797.3309      0.0000      0.0000
    93 CA   PRO     94   1222.9937      0.0000      0.0000
    94 CA   ALA      2     13.5994      0.0000      0.0000
    95 CA   CYS      3     20.9361      0.0000      0.0000
    96 CA   PRO      4     18.4057      0.0000      0.0000
    97 CA   LEU      5     13.0789      0.0000      0.0000
    98 CA   GLU      6     17.4967      0.0000      0.0000
    99 CA   LYS      7     17.7771      0.0000      0.0000
   100 CA   ALA      8     12.7655      0.0000      0.0000
   101 CA   LEU      9     16.1124      0.0000      0.0000
   102 CA   ASP     10     19.6925      0.0000      0.0000
   103 CA   VAL     11     14.1145      0.0000      0.0000
   104 CA   MET     12     13.9868      0.0000      0.0000
   105 CA   VAL     13     19.2247      0.0000      0.0000
   106 CA   SER     14     20.2047      0.0000      0.0000
   107 CA   THR     15     16.3171      0.0000      0.0000
   108 CA   PHE     16     16.6213      0.0000      0.0000
   109 CA   HIS     17     20.5686      0.0000      0.0000
   110 CA   LYS     18     19.5036      0.0000      0.0000
   111 CA   TYR     19     19.1621      0.0000      0.0000
   112 CA   SER     20     22.8899      0.0000      0.0000
   113 CA   GLY     21     28.4220      0.0000      0.0000
   114 CA   LYS     22     37.4322      0.0000      0.0000
   115 CA   GLU     23     50.4878      0.0000      0.0000
   116 CA   GLY     24     45.7530      0.0000      0.0000
   117 CA   ASP     25     45.7574      0.0000      0.0000
   118 CA   LYS     26     37.7683      0.0000      0.0000
   119 CA   PHE     27     54.8968      0.0000      0.0000
   120 CA   LYS     28     39.3610      0.0000      0.0000
   121 CA   LEU     29     31.0637      0.0000      0.0000
   122 CA   ASN     30     29.1574      0.0000      0.0000
   123 CA   LYS     31     25.8287      0.0000      0.0000
   124 CA   SER     32     30.3951      0.0000      0.0000
   125 CA   GLU     33     24.1652      0.0000      0.0000
   126 CA   LEU     34     22.1258      0.0000      0.0000
   127 CA   LYS     35     24.9658      0.0000      0.0000
   128 CA   GLU     36     18.3354      0.0000      0.0000
   129 CA   LEU     37     17.3903      0.0000      0.0000
   130 CA   LEU     38     17.9437      0.0000      0.0000
   131 CA   THR     39     15.1512      0.0000      0.0000
   132 CA   ARG     40     15.2610      0.0000      0.0000
   133 CA   GLU     41     16.2046      0.0000      0.0000
   134 CA   LEU     42     17.9719      0.0000      0.0000
   135 CA   PRO     43     24.1259      0.0000      0.0000
   136 CA   SER     44     47.7576      0.0000      0.0000
   137 CA   PHE     45     57.8981      0.0000      0.0000
   138 CA   LEU     46     65.7256      0.0000      0.0000
   139 CA   GLY     47     71.7868      0.0000      0.0000
   140 CA   LYS     48     99.9049      0.0000      0.0000
   141 CA   ARG     49     81.6265      0.0000      0.0000
   142 CA   THR     50     88.8601      0.0000      0.0000
   143 CA   ASP     51     54.4199      0.0000      0.0000
   144 CA   GLU     52     30.2205      0.0000      0.0000
   145 CA   ALA     53     30.7751      0.0000      0.0000
   146 CA   ALA     54     37.5020      0.0000      0.0000
   147 CA   PHE     55     31.9419      0.0000      0.0000
   148 CA   GLN     56     24.2604      0.0000      0.0000
   149 CA   LYS     57     35.1648      0.0000      0.0000
   150 CA   LEU     58     38.9062      0.0000      0.0000
   151 CA   MET     59     28.1095      0.0000      0.0000
   152 CA   SER     60     38.5827      0.0000      0.0000
   153 CA   ASN     61     45.6697      0.0000      0.0000
   154 CA   LEU     62     37.0725      0.0000      0.0000
   155 CA   ASP     63     58.8625      0.0000      0.0000
   156 CA   SER     64     74.5191      0.0000      0.0000
   157 CA   ASN     65    123.8239      0.0000      0.0000
   158 CA   ARG     66    246.3850      0.0000      0.0000
   159 CA   ASP     67     54.5526      0.0000      0.0000
   160 CA   ASN     68     43.5527      0.0000      0.0000
   161 CA   GLU     69     30.3437      0.0000      0.0000
   162 CA   VAL     70     27.4754      0.0000      0.0000
   163 CA   ASP     71     34.4547      0.0000      0.0000
   164 CA   PHE     72     31.3233      0.0000      0.0000
   165 CA   GLN     73     23.5946      0.0000      0.0000
   166 CA   GLU     74     21.1574      0.0000      0.0000
   167 CA   TYR     75     19.1359      0.0000      0.0000
   168 CA   CYS     76     16.3233      0.0000      0.0000
   169 CA   VAL     77     13.7697      0.0000      0.0000
   170 CA   PHE     78     14.9687      0.0000      0.0000
   171 CA   LEU     79     13.3988      0.0000      0.0000
   172 CA   SER     80     10.8268      0.0000      0.0000
   173 CA   CYS     81     11.5117      0.0000      0.0000
   174 CA   ILE     82     12.1913      0.0000      0.0000
   175 CA   ALA     83     11.7006      0.0000      0.0000
   176 CA   MET     84     11.0301      0.0000      0.0000
   177 CA   MET     85     10.8766      0.0000      0.0000
   178 CA   CYS     86     16.7716      0.0000      0.0000
   179 CA   ASN     87     18.6719      0.0000      0.0000
   180 CA   GLU     88     82.8432      0.0000      0.0000
   181 CA   PHE     89    103.0562      0.0000      0.0000
   182 CA   PHE     90    216.1741      0.0000      0.0000
   183 CA   GLU     91     88.5474      0.0000      0.0000
   184 CA   GLY     92     46.7962      0.0000      0.0000
   185 CA   PHE     93     35.5247      0.0000      0.0000
   186 CA   PRO     94     47.5711      0.0000      0.0000

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elNémo is maintained by Yves-Henri Sanejouand.
It was developed by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: October 18th, 2018.