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***  HYDROLASE 12-NOV-13 4NKK  ***

B-factor analysis for ID 22090215271376465

Overall B-factor prediction

Correlation= -0.005 for 99 C-alpha atoms.

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   PRO      1      0.2316     21.4110     25.8400
     9 CA   GLN      2      0.2671     22.5356     21.3900
    18 CA   ILE      3      0.1279     18.1279     16.3600
    26 CA   THR      4      0.1991     20.3827     14.4100
    33 CA   LEU      5      0.1202     17.8839     11.7600
    41 CA   TRP      6      0.2550     22.1506     15.0700
    55 CA   GLN      7      0.1815     19.8257     12.9900
    64 CA   ARG      8      0.1019     17.3020     12.0000
    75 CA   PRO      9      0.0384     15.2915     12.1200
    82 CA   VAL     10      0.0389     15.3081     12.8300
    89 CA   VAL     11      0.0272     14.9381     13.0300
    96 CA   THR     12      0.0271     14.9333     15.6100
   103 CA   ILE     13      0.0177     14.6378     18.1900
   111 CA   LYS     14      0.0215     14.7563     22.6900
   120 CA   ILE     15      0.0184     14.6591     27.2700
   128 CA   GLY     16      0.0375     15.2646     35.9100
   132 CA   GLY     17      0.1241     18.0049     34.9700
   136 CA   GLN     18      0.0409     15.3718     30.5300
   145 CA   LEU     19      0.0419     15.4039     23.7300
   153 CA   LYS     20      0.0248     14.8604     18.2600
   162 CA   GLU     21      0.0273     14.9397     18.7000
   171 CA   ALA     22      0.0199     14.7079     14.8600
   176 CA   LEU     23      0.0248     14.8612     10.7400
   184 CA   LEU     24      0.0238     14.8312     11.2200
   192 CA   ASN     25      0.0363     15.2246      9.6400
   200 CA   THR     26      0.0495     15.6451     10.1000
   207 CA   GLY     27      0.1152     17.7243     10.4000
   211 CA   ALA     28      0.0422     15.4143     13.0000
   216 CA   ASP     29      0.0522     15.7309     12.5400
   224 CA   ASP     30      0.0210     14.7404     13.9300
   232 CA   THR     31      0.0136     14.5057     11.4500
   239 CA   VAL     32      0.0124     14.4693     13.8600
   246 CA   LEU     33      0.0114     14.4386     17.7600
   254 CA   GLU     34      0.0197     14.7000     22.0600
   263 CA   GLU     35      0.0274     14.9437     22.9900
   272 CA   VAL     36      0.0234     14.8166     22.4300
   279 CA   ASN     37      0.0444     15.4819     23.8900
   287 CA   LEU     38      0.0244     14.8488     19.4300
   295 CA   PRO     39      0.0815     16.6582     17.0800
   302 CA   GLY     40      0.2425     21.7554     18.1100
   306 CA   ARG     41      0.1001     17.2467     18.6800
   317 CA   TRP     42      0.0333     15.1324     16.3600
   331 CA   LYS     43      0.0387     15.3022     19.5800
   340 CA   PRO     44      0.0383     15.2905     20.9500
   347 CA   LYS     45      0.0274     14.9440     16.3200
   356 CA   LEU     46      0.0502     15.6675     13.9600
   364 CA   ILE     47      0.0502     15.6676     13.9700
   372 CA   GLY     48      0.2183     20.9883     19.3900
   376 CA   GLY     49      0.2842     23.0765     14.6400
   380 CA   ILE     50      0.6804     35.6248     15.9100
   388 CA   GLY     51      1.4504     60.0078     14.7500
   392 CA   GLY     52      0.4393     27.9881     15.8500
   396 CA   PHE     53      0.1245     18.0197     11.9300
   407 CA   VAL     54      0.0642     16.1094     10.9500
   414 CA   LYS     55      0.0402     15.3507     15.1900
   423 CA   VAL     56      0.0179     14.6431     12.4000
   430 CA   ARG     57      0.0143     14.5299     13.1800
   441 CA   GLN     58      0.0144     14.5329     11.8800
   450 CA   TYR     59      0.0145     14.5344     12.9700
   462 CA   ASP     60      0.0274     14.9432     13.4200
   470 CA   GLN     61      0.0456     15.5194     14.0600
   479 CA   VAL     62      0.0175     14.6319     11.9700
   486 CA   PRO     63      0.0220     14.7730     15.1200
   493 CA   ILE     64      0.0146     14.5377     19.1700
   501 CA   GLU     65      0.0205     14.7255     21.8900
   510 CA   ILE     66      0.0188     14.6719     23.7200
   518 CA   CYS     67      0.0386     15.2976     30.4700
   524 CA   GLY     68      0.0559     15.8477     34.4900
   528 CA   HIS     69      0.0348     15.1784     28.0700
   538 CA   LYS     70      0.0332     15.1278     22.4800
   547 CA   VAL     71      0.0206     14.7280     14.7300
   554 CA   ILE     72      0.0230     14.8041     11.7300
   562 CA   GLY     73      0.0181     14.6485     11.9600
   566 CA   THR     74      0.0147     14.5429      9.5500
   573 CA   VAL     75      0.0097     14.3824     11.6400
   580 CA   LEU     76      0.0094     14.3729     11.6200
   588 CA   VAL     77      0.0100     14.3918     14.1700
   595 CA   GLY     78      0.0158     14.5757     27.5600
   599 CA   PRO     79      0.0333     15.1299     26.2800
   606 CA   THR     80      0.0396     15.3301     29.4600
   613 CA   PRO     81      0.1789     19.7407     31.3800
   620 CA   ALA     82      0.0497     15.6490     30.5000
   625 CA   ASN     83      0.0194     14.6917     22.5400
   633 CA   VAL     84      0.0191     14.6813     13.4600
   640 CA   ILE     85      0.0150     14.5517     11.6300
   648 CA   GLY     86      0.0201     14.7133      9.0800
   652 CA   ARG     87      0.0293     15.0039      8.1200
   663 CA   ASN     88      0.0242     14.8434     10.3900
   671 CA   LEU     89      0.0173     14.6238     12.1600
   679 CA   MET     90      0.0237     14.8278     10.6500
   687 CA   THR     91      0.0396     15.3300     13.0700
   694 CA   GLN     92      0.0330     15.1219     14.6600
   703 CA   ILE     93      0.0338     15.1464     15.4500
   711 CA   GLY     94      0.0866     16.8181     16.5100
   715 CA   CYS     95      0.0658     16.1588     14.8700
   721 CA   THR     96      0.1757     19.6419     13.3100
   728 CA   LEU     97      0.1806     19.7964     12.2500
   736 CA   ASN     98      0.3179     24.1438     17.1200
   744 CA   PHE     99      1.1591     50.7824     17.8500

If you find results from this site helpful for your research, please cite one of our papers:

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.