CNRS Nantes University UFIP UFIP
home |  start a new run |  job status |  references&downloads |  examples |  help  

Should you encounter any unexpected behaviour,
please let us know.


***  markelzLastMinute  ***

B-factor analysis for ID 22030900130571040

Overall B-factor prediction

Correlation= 0.549 for 129 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   LYS      1      0.0287     18.3385     16.9600
    11 CA   VAL      2      0.0256     17.9376     19.2700
    18 CA   PHE      3      0.0153     16.5683     18.2800
    29 CA   GLY      4      0.0268     18.0963     19.4600
    33 CA   ARG      5      0.0170     16.7957     18.9500
    44 CA   CYS      6      0.0199     17.1819     18.5200
    50 CA   GLU      7      0.0240     17.7178     17.6300
    59 CA   LEU      8      0.0109     15.9874     13.8300
    67 CA   ALA      9      0.0114     16.0603     15.0100
    72 CA   ALA     10      0.0196     17.1349     17.7000
    77 CA   ALA     11      0.0182     16.9605     16.7500
    82 CA   MET     12      0.0107     15.9606     16.0800
    90 CA   LYS     13      0.0168     16.7648     21.2800
    99 CA   ARG     14      0.0414     20.0283     23.4800
   110 CA   HIS     15      0.0191     17.0739     21.2700
   120 CA   GLY     16      0.0219     17.4402     20.7600
   124 CA   LEU     17      0.0108     15.9792     22.5600
   132 CA   ASP     18      0.0159     16.6518     25.4200
   140 CA   ASN     19      0.0242     17.7519     22.6300
   148 CA   TYR     20      0.0156     16.6116     18.4100
   160 CA   ARG     21      0.0266     18.0605     20.4400
   171 CA   GLY     22      0.0450     20.4928     18.2300
   175 CA   TYR     23      0.0132     16.2957     15.9600
   187 CA   SER     24      0.0150     16.5331     17.4000
   193 CA   LEU     25      0.0089     15.7256     15.0300
   201 CA   GLY     26      0.0099     15.8522     13.0000
   205 CA   ASN     27      0.0080     15.6008     13.8200
   213 CA   TRP     28      0.0061     15.3490     11.3300
   227 CA   VAL     29      0.0064     15.3908     11.5100
   234 CA   CYS     30      0.0075     15.5463     11.0600
   240 CA   ALA     31      0.0067     15.4412     15.0400
   245 CA   ALA     32      0.0082     15.6324     12.2300
   250 CA   LYS     33      0.0113     16.0469     13.8500
   259 CA   PHE     34      0.0160     16.6620     15.3000
   270 CA   GLU     35      0.0104     15.9296     11.7200
   279 CA   SER     36      0.0127     16.2264     12.5000
   285 CA   ASN     37      0.0194     17.1084     13.5600
   293 CA   PHE     38      0.0123     16.1796     13.2800
   304 CA   ASN     39      0.0158     16.6318     13.4300
   312 CA   THR     40      0.0134     16.3238     12.6700
   319 CA   GLN     41      0.0208     17.2987     12.4800
   328 CA   ALA     42      0.0160     16.6591     15.2200
   333 CA   THR     43      0.0215     17.3948     12.4700
   340 CA   ASN     44      0.0327     18.8700     17.4500
   348 CA   ARG     45      0.0480     20.8928     18.6900
   359 CA   ASN     46      0.0622     22.7694     23.0300
   367 CA   THR     47      0.2089     42.1647     26.7200
   374 CA   ASP     48      0.1044     28.3457     25.5200
   382 CA   GLY     49      0.0581     22.2309     22.0700
   386 CA   SER     50      0.0239     17.7100     18.3800
   392 CA   THR     51      0.0148     16.5115     10.6900
   399 CA   ASP     52      0.0120     16.1400     11.7200
   407 CA   TYR     53      0.0096     15.8235     11.4300
   419 CA   GLY     54      0.0104     15.9192     11.3200
   423 CA   ILE     55      0.0084     15.6567     13.8900
   431 CA   LEU     56      0.0077     15.5666     14.3400
   439 CA   GLN     57      0.0106     15.9478     12.4700
   448 CA   ILE     58      0.0078     15.5769     14.6100
   456 CA   ASN     59      0.0116     16.0828     17.2400
   464 CA   SER     60      0.0095     15.8021     16.5100
   470 CA   ARG     61      0.0193     17.1069     23.1400
   481 CA   TRP     62      0.0193     17.1059     20.4200
   495 CA   TRP     63      0.0105     15.9376     14.8300
   509 CA   CYS     64      0.0098     15.8434     15.5600
   515 CA   ASN     65      0.0168     16.7690     17.5600
   523 CA   ASP     66      0.0236     17.6646     15.1400
   531 CA   GLY     67      0.2169     43.2182     18.3300
   535 CA   ARG     68      0.0535     21.6185     20.7300
   546 CA   THR     69      0.0321     18.7865     26.2900
   553 CA   PRO     70      0.1206     30.4951     35.5400
   560 CA   GLY     71      0.2853     52.2677     39.2200
   564 CA   SER     72      0.0331     18.9281     36.1800
   570 CA   ARG     73      0.0390     19.6984     35.3400
   581 CA   ASN     74      0.0223     17.4979     26.2700
   589 CA   LEU     75      0.0240     17.7162     22.2600
   597 CA   CYS     76      0.0188     17.0296     19.4200
   603 CA   ASN     77      0.0480     20.8878     26.0400
   611 CA   ILE     78      0.0230     17.5860     23.6100
   619 CA   PRO     79      0.0263     18.0319     20.9300
   626 CA   CYS     80      0.0124     16.1882     12.9500
   632 CA   SER     81      0.0292     18.4050     15.0400
   638 CA   ALA     82      0.0237     17.6828     17.2900
   643 CA   LEU     83      0.0107     15.9681     18.7200
   651 CA   LEU     84      0.0160     16.6592     17.3800
   659 CA   SER     85      0.0205     17.2626     19.4700
   665 CA   SER     86      0.0306     18.5890     22.9200
   671 CA   ASP     87      0.0357     19.2738     20.7200
   679 CA   ILE     88      0.0148     16.5016     19.3200
   687 CA   THR     89      0.0245     17.7839     18.3500
   694 CA   ALA     90      0.0174     16.8508     16.6600
   699 CA   SER     91      0.0105     15.9336     16.5900
   705 CA   VAL     92      0.0122     16.1556     14.9000
   712 CA   ASN     93      0.0178     16.9014     16.6100
   720 CA   CYS     94      0.0117     16.0922     14.7900
   726 CA   ALA     95      0.0100     15.8726     13.4400
   731 CA   LYS     96      0.0123     16.1745     15.7900
   740 CA   LYS     97      0.0159     16.6515     20.0100
   749 CA   ILE     98      0.0120     16.1356     17.3000
   757 CA   VAL     99      0.0130     16.2690     20.0400
   764 CA   SER    100      0.0273     18.1617     26.4400
   770 CA   ASP    101      0.0386     19.6549     38.2800
   778 CA   GLY    102      0.1725     37.3566     38.7500
   782 CA   ASN    103      0.0597     22.4447     30.1400
   790 CA   GLY    104      0.0207     17.2801     18.3000
   794 CA   MET    105      0.0125     16.1952     15.2200
   802 CA   ASN    106      0.0245     17.7937     15.7200
   810 CA   ALA    107      0.0231     17.5994     14.5100
   815 CA   TRP    108      0.0162     16.6844     16.3500
   829 CA   VAL    109      0.0351     19.1948     16.4600
   836 CA   ALA    110      0.0211     17.3410     14.5000
   841 CA   TRP    111      0.0138     16.3730     11.8800
   855 CA   ARG    112      0.0242     17.7434     16.1500
   866 CA   ASN    113      0.0443     20.4059     14.2400
   874 CA   ARG    114      0.0296     18.4609     15.8900
   885 CA   CYS    115      0.0166     16.7489     13.4700
   891 CA   LYS    116      0.0295     18.4514     14.6600
   900 CA   GLY    117      0.2838     52.0649     21.1400
   904 CA   THR    118      0.0732     24.2300     20.1600
   911 CA   ASP    119      0.1087     28.9134     24.7900
   919 CA   VAL    120      0.0180     16.9300     23.6300
   926 CA   GLN    121      0.0374     19.4981     25.6700
   935 CA   ALA    122      0.0346     19.1214     21.1000
   940 CA   TRP    123      0.0136     16.3441     21.0900
   954 CA   ILE    124      0.0184     16.9787     23.2600
   962 CA   ARG    125      0.0517     21.3880     30.1300
   973 CA   GLY    126      0.1781     38.0913     27.6800
   977 CA   CYS    127      0.0511     21.3087     26.0900
   983 CA   ARG    128      0.1469     33.9655     33.4100
   994 CA   LEU    129      0.0816     25.3419     40.9700

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.