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***  lig_1.pdb  ***

B-factor analysis for ID 2610251945094007341

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
     2 CA   ARG     12      1.1616      0.0000      0.0000
    13 CA   LYS     13      0.5032      0.0000      0.0000
    22 CA   LYS     14      0.3059      0.0000      0.0000
    31 CA   ARG     15      0.1709      0.0000      0.0000
    42 CA   GLU     16      0.1032      0.0000      0.0000
    51 CA   LYS     17      0.0932      0.0000      0.0000
    60 CA   GLU     18      0.0564      0.0000      0.0000
    69 CA   GLN     19      0.0434      0.0000      0.0000
    78 CA   PHE     20      0.0530      0.0000      0.0000
    89 CA   ARG     21      0.0521      0.0000      0.0000
   100 CA   LYS     22      0.0349      0.0000      0.0000
   109 CA   LEU     23      0.0325      0.0000      0.0000
   117 CA   PHE     24      0.0238      0.0000      0.0000
   128 CA   ILE     25      0.0329      0.0000      0.0000
   136 CA   GLY     26      0.0332      0.0000      0.0000
   140 CA   GLY     27      0.0477      0.0000      0.0000
   144 CA   LEU     28      0.0555      0.0000      0.0000
   152 CA   SER     29      0.0781      0.0000      0.0000
   158 CA   PHE     30      0.0859      0.0000      0.0000
   169 CA   GLU     31      0.1101      0.0000      0.0000
   178 CA   THR     32      0.0832      0.0000      0.0000
   185 CA   THR     33      0.0838      0.0000      0.0000
   192 CA   GLU     34      0.0777      0.0000      0.0000
   201 CA   GLU     35      0.1085      0.0000      0.0000
   210 CA   SER     36      0.1065      0.0000      0.0000
   216 CA   LEU     37      0.0757      0.0000      0.0000
   224 CA   ARG     38      0.0859      0.0000      0.0000
   235 CA   ASN     39      0.1168      0.0000      0.0000
   243 CA   TYR     40      0.1052      0.0000      0.0000
   255 CA   TYR     41      0.0857      0.0000      0.0000
   267 CA   GLU     42      0.1098      0.0000      0.0000
   276 CA   GLN     43      0.1358      0.0000      0.0000
   285 CA   TRP     44      0.1182      0.0000      0.0000
   299 CA   GLY     45      0.1080      0.0000      0.0000
   303 CA   LYS     46      0.1079      0.0000      0.0000
   312 CA   LEU     47      0.0835      0.0000      0.0000
   320 CA   THR     48      0.0796      0.0000      0.0000
   327 CA   ASP     49      0.0652      0.0000      0.0000
   335 CA   CYS     50      0.0555      0.0000      0.0000
   341 CA   VAL     51      0.0482      0.0000      0.0000
   348 CA   VAL     52      0.0437      0.0000      0.0000
   355 CA   MET     53      0.0371      0.0000      0.0000
   363 CA   ARG     54      0.0524      0.0000      0.0000
   374 CA   ASP     55      0.0607      0.0000      0.0000
   382 CA   PRO     56      0.0926      0.0000      0.0000
   389 CA   ALA     57      0.1172      0.0000      0.0000
   394 CA   SER     58      0.1206      0.0000      0.0000
   400 CA   LYS     59      0.1047      0.0000      0.0000
   409 CA   ARG     60      0.0774      0.0000      0.0000
   420 CA   SER     61      0.0566      0.0000      0.0000
   426 CA   ARG     62      0.0344      0.0000      0.0000
   437 CA   GLY     63      0.0388      0.0000      0.0000
   441 CA   PHE     64      0.0281      0.0000      0.0000
   452 CA   GLY     65      0.0286      0.0000      0.0000
   456 CA   PHE     66      0.0294      0.0000      0.0000
   467 CA   VAL     67      0.0420      0.0000      0.0000
   474 CA   THR     68      0.0494      0.0000      0.0000
   481 CA   PHE     69      0.0649      0.0000      0.0000
   492 CA   SER     70      0.0880      0.0000      0.0000
   498 CA   SER     71      0.0892      0.0000      0.0000
   504 CA   MET     72      0.0750      0.0000      0.0000
   512 CA   ALA     73      0.1020      0.0000      0.0000
   517 CA   GLU     74      0.0934      0.0000      0.0000
   526 CA   VAL     75      0.0707      0.0000      0.0000
   533 CA   ASP     76      0.0932      0.0000      0.0000
   541 CA   ALA     77      0.1166      0.0000      0.0000
   546 CA   ALA     78      0.0949      0.0000      0.0000
   551 CA   MET     79      0.0896      0.0000      0.0000
   559 CA   ALA     80      0.1365      0.0000      0.0000
   564 CA   ALA     81      0.1440      0.0000      0.0000
   569 CA   ARG     82      0.1243      0.0000      0.0000
   580 CA   PRO     83      0.1320      0.0000      0.0000
   587 CA   HIS     84      0.1094      0.0000      0.0000
   597 CA   SER     85      0.1238      0.0000      0.0000
   603 CA   ILE     86      0.1047      0.0000      0.0000
   611 CA   ASP     87      0.1264      0.0000      0.0000
   619 CA   GLY     88      0.1575      0.0000      0.0000
   623 CA   ARG     89      0.1219      0.0000      0.0000
   634 CA   VAL     90      0.1106      0.0000      0.0000
   641 CA   VAL     91      0.0733      0.0000      0.0000
   648 CA   GLU     92      0.0544      0.0000      0.0000
   657 CA   PRO     93      0.0460      0.0000      0.0000
   664 CA   LYS     94      0.0368      0.0000      0.0000
   673 CA   ARG     95      0.0337      0.0000      0.0000
   684 CA   ALA     96      0.0236      0.0000      0.0000
   689 CA   VAL     97      0.0236      0.0000      0.0000
   696 CA   ALA     98      0.0366      0.0000      0.0000
   701 CA   ARG     99      0.0384      0.0000      0.0000
   712 CA   GLU    100      0.0934      0.0000      0.0000
   721 CA   GLU    101      0.0589      0.0000      0.0000
   730 CA   SER    102      0.0317      0.0000      0.0000
   736 CA   GLY    103      0.0523      0.0000      0.0000
   740 CA   LYS    104      0.0737      0.0000      0.0000
   749 CA   PRO    105      0.0680      0.0000      0.0000
   756 CA   GLY    106      0.0488      0.0000      0.0000
   760 CA   ALA    107      0.0366      0.0000      0.0000
   765 CA   HIS    108      0.0242      0.0000      0.0000
   775 CA   VAL    109      0.0401      0.0000      0.0000
   782 CA   THR    110      0.0510      0.0000      0.0000
   789 CA   VAL    111      0.0714      0.0000      0.0000
   796 CA   LYS    112      0.0924      0.0000      0.0000
   805 CA   LYS    113      0.1006      0.0000      0.0000
   814 CA   LEU    114      0.0971      0.0000      0.0000
   822 CA   PHE    115      0.1090      0.0000      0.0000
   833 CA   VAL    116      0.1320      0.0000      0.0000
   840 CA   GLY    117      0.1598      0.0000      0.0000
   844 CA   GLY    118      0.1982      0.0000      0.0000
   848 CA   ILE    119      0.2213      0.0000      0.0000
   856 CA   LYS    120      0.2822      0.0000      0.0000
   865 CA   GLU    121      0.3326      0.0000      0.0000
   874 CA   ASP    122      0.3434      0.0000      0.0000
   882 CA   THR    123      0.2806      0.0000      0.0000
   889 CA   GLU    124      0.2902      0.0000      0.0000
   898 CA   GLU    125      0.2647      0.0000      0.0000
   907 CA   HIS    126      0.2981      0.0000      0.0000
   917 CA   HIS    127      0.2590      0.0000      0.0000
   927 CA   LEU    128      0.2013      0.0000      0.0000
   935 CA   ARG    129      0.2236      0.0000      0.0000
   946 CA   ASP    130      0.2472      0.0000      0.0000
   954 CA   TYR    131      0.1960      0.0000      0.0000
   966 CA   PHE    132      0.1592      0.0000      0.0000
   977 CA   GLU    133      0.1915      0.0000      0.0000
   986 CA   GLU    134      0.1778      0.0000      0.0000
   995 CA   TYR    135      0.1332      0.0000      0.0000
  1007 CA   GLY    136      0.1497      0.0000      0.0000
  1011 CA   LYS    137      0.1783      0.0000      0.0000
  1020 CA   ILE    138      0.1651      0.0000      0.0000
  1028 CA   ASP    139      0.1747      0.0000      0.0000
  1036 CA   THR    140      0.1847      0.0000      0.0000
  1043 CA   ILE    141      0.1930      0.0000      0.0000
  1051 CA   GLU    142      0.2146      0.0000      0.0000
  1060 CA   ILE    143      0.2337      0.0000      0.0000
  1068 CA   ILE    144      0.2558      0.0000      0.0000
  1076 CA   THR    145      0.3359      0.0000      0.0000
  1083 CA   ASP    146      0.4210      0.0000      0.0000
  1091 CA   ARG    147      0.5852      0.0000      0.0000
  1102 CA   GLN    148      0.7965      0.0000      0.0000
  1111 CA   SER    149      0.6978      0.0000      0.0000
  1117 CA   GLY    150      0.5260      0.0000      0.0000
  1121 CA   LYS    151      0.4630      0.0000      0.0000
  1130 CA   LYS    152      0.3365      0.0000      0.0000
  1139 CA   ARG    153      0.2925      0.0000      0.0000
  1150 CA   GLY    154      0.2413      0.0000      0.0000
  1154 CA   PHE    155      0.1933      0.0000      0.0000
  1165 CA   GLY    156      0.1721      0.0000      0.0000
  1169 CA   PHE    157      0.1444      0.0000      0.0000
  1180 CA   VAL    158      0.1377      0.0000      0.0000
  1187 CA   THR    159      0.1301      0.0000      0.0000
  1194 CA   PHE    160      0.1268      0.0000      0.0000
  1205 CA   ASP    161      0.1352      0.0000      0.0000
  1213 CA   ASP    162      0.1054      0.0000      0.0000
  1221 CA   HIS    163      0.0776      0.0000      0.0000
  1231 CA   ASP    164      0.0732      0.0000      0.0000
  1239 CA   PRO    165      0.0898      0.0000      0.0000
  1246 CA   VAL    166      0.0774      0.0000      0.0000
  1253 CA   ASP    167      0.0581      0.0000      0.0000
  1261 CA   LYS    168      0.0698      0.0000      0.0000
  1270 CA   ILE    169      0.0834      0.0000      0.0000
  1278 CA   VAL    170      0.0731      0.0000      0.0000
  1285 CA   LEU    171      0.0622      0.0000      0.0000
  1293 CA   GLN    172      0.0908      0.0000      0.0000
  1302 CA   LYS    173      0.1036      0.0000      0.0000
  1311 CA   TYR    174      0.1438      0.0000      0.0000
  1323 CA   HIS    175      0.1433      0.0000      0.0000
  1333 CA   THR    176      0.1908      0.0000      0.0000
  1340 CA   ILE    177      0.2053      0.0000      0.0000
  1348 CA   ASN    178      0.2706      0.0000      0.0000
  1356 CA   GLY    179      0.2849      0.0000      0.0000
  1360 CA   HIS    180      0.2385      0.0000      0.0000
  1370 CA   ASN    181      0.2002      0.0000      0.0000
  1378 CA   ALA    182      0.1568      0.0000      0.0000
  1383 CA   GLU    183      0.1335      0.0000      0.0000
  1392 CA   VAL    184      0.1023      0.0000      0.0000
  1399 CA   ARG    185      0.0864      0.0000      0.0000
  1410 CA   LYS    186      0.0726      0.0000      0.0000
  1419 CA   ALA    187      0.0909      0.0000      0.0000
  1424 CA   LEU    188      0.0855      0.0000      0.0000
  1432 CA   SER    189      0.1056      0.0000      0.0000
  1438 CA   ARG    190      0.1229      0.0000      0.0000
  1449 CA   GLN    191      0.0748      0.0000      0.0000
  1458 CA   GLU    192      0.0618      0.0000      0.0000
  1467 CA   MET    193      0.0734      0.0000      0.0000
  1475 CA   GLN    194      0.0533      0.0000      0.0000
  1484 CA   GLU    195      0.0644      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).
Between 2015 and 2025, it was hosted by US2B (Nantes).
Last modification: april 24th, 2026.