CNRS Nantes University US2B US2B
home |  start a new run |  job status |  references&downloads |  examples |  help  

Should you encounter any unexpected behaviour,
please let us know.
elNémo has been hacked on november 27th.
It has been moved away and runs again.
**Still some additional cleaning from time to time**
Sorry for the inconvenience.


***  hiv1_open_cutoff10_ca  ***

B-factor analysis for ID 2604200934113787484

Overall B-factor prediction

Correlation= 0.033 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
     1 CA   PRO      1     12.2917     31.0880     34.8800
     2 CA   GLN      2      9.7273     30.7616     35.1500
     3 CA   ILE      3      8.6428     30.6235     27.0300
     4 CA   THR      4     25.3320     32.7481     25.6300
     5 CA   LEU      5     19.5303     32.0095     22.0600
     6 CA   TRP      6     36.3210     34.1470     18.4600
     7 CA   GLN      7     14.9395     31.4251     27.7900
     8 CA   ARG      8      5.4040     30.2112     20.6900
     9 CA   PRO      9      4.0064     30.0333     18.9100
    10 CA   LEU     10      2.5278     29.8451     25.3600
    11 CA   VAL     11      2.4206     29.8314     28.6000
    12 CA   THR     12      2.0710     29.7869     36.6300
    13 CA   ILE     13      1.3699     29.6977     34.3900
    14 CA   LYS     14      1.9177     29.7674     42.4500
    15 CA   ILE     15      1.2733     29.6854     43.0200
    16 CA   GLY     16      1.6620     29.7349     45.7500
    17 CA   GLY     17      3.7743     30.0038     48.6900
    18 CA   GLN     18      3.0358     29.9097     47.7400
    19 CA   LEU     19      3.1514     29.9244     43.4400
    20 CA   LYS     20      1.7578     29.7470     40.0200
    21 CA   GLU     21      1.5695     29.7231     33.7400
    22 CA   ALA     22      1.2507     29.6825     26.7500
    23 CA   LEU     23      1.7129     29.7413     20.2400
    24 CA   LEU     24      1.4241     29.7046     20.8800
    25 CA   ASP     25      2.2799     29.8135     21.2000
    26 CA   THR     26      2.3596     29.8236     14.9700
    27 CA   GLY     27      4.6129     30.1105      8.7600
    28 CA   ALA     28      1.8835     29.7630     13.4600
    29 CA   ASP     29      2.0978     29.7903     22.5400
    30 CA   ASP     30      0.9316     29.6419     25.4400
    31 CA   THR     31      0.8707     29.6341     19.7800
    32 CA   VAL     32      0.6923     29.6114     15.1000
    33 CA   LEU     33      0.6119     29.6012     32.7800
    34 CA   GLU     34      0.9799     29.6480     36.5000
    35 CA   GLU     35      1.7350     29.7441     33.4400
    36 CA   MET     36      2.6691     29.8631     41.1300
    37 CA   SER     37      2.8896     29.8911     48.0700
    38 CA   LEU     38      1.8034     29.7528     43.4100
    39 CA   PRO     39      3.3285     29.9470     48.5600
    40 CA   GLY     40      2.7483     29.8731     48.6400
    41 CA   ARG     41      4.1323     30.0493     50.8800
    42 CA   TRP     42      2.4176     29.8310     37.6500
    43 CA   LYS     43      3.4046     29.9567     40.6900
    44 CA   PRO     44      4.2866     30.0690     45.3000
    45 CA   LYS     45      3.0325     29.9093     41.0400
    46 CA   MET     46      3.0337     29.9095     36.0400
    47 CA   ILE     47      2.1091     29.7918     30.2200
    48 CA   GLY     48      8.1146     30.5563     39.9900
    49 CA   GLY     49      9.1905     30.6932     47.5700
    50 CA   ILE     50     27.6633     33.0449     54.2400
    51 CA   GLY     51     27.1486     32.9793     52.4900
    52 CA   GLY     52     12.9386     31.1704     43.7300
    53 CA   PHE     53      4.9572     30.1543     40.9200
    54 CA   ILE     54      2.3793     29.8262     33.4300
    55 CA   LYS     55      1.7472     29.7457     30.6200
    56 CA   VAL     56      1.0583     29.6580     27.7400
    57 CA   ARG     57      0.9645     29.6461     26.8800
    58 CA   GLN     58      1.1619     29.6712     26.0500
    59 CA   TYR     59      0.9521     29.6445     29.1700
    60 CA   ASP     60      1.5255     29.7175     27.7500
    61 CA   GLN     61      1.6252     29.7302     26.6800
    62 CA   ILE     62      1.0499     29.6569     28.3500
    63 CA   LEU     63      1.0608     29.6583     31.0200
    64 CA   ILE     64      1.2663     29.6845     31.9500
    65 CA   GLU     65      1.4374     29.7063     35.7400
    66 CA   ILE     66      1.0461     29.6564     35.2800
    67 CA   CYS     67      3.4313     29.9601     44.4400
    68 CA   GLY     68      3.2459     29.9365     45.4500
    69 CA   HIS     69      2.2017     29.8035     40.2000
    70 CA   LYS     70      1.1071     29.6642     40.4800
    71 CA   ALA     71      1.2267     29.6794     37.0000
    72 CA   ILE     72      0.8665     29.6336     28.6600
    73 CA   GLY     73      0.9178     29.6401     22.0900
    74 CA   THR     74      0.7928     29.6242     23.1100
    75 CA   VAL     75      0.8307     29.6290     27.0300
    76 CA   LEU     76      0.5799     29.5971     24.9300
    77 CA   VAL     77      0.5103     29.5882     18.7600
    78 CA   GLY     78      0.6351     29.6041     22.2400
    79 CA   PRO     79      1.3784     29.6987     25.9700
    80 CA   THR     80      1.2540     29.6829     31.2800
    81 CA   PRO     81      3.6856     29.9925     28.8200
    82 CA   VAL     82      2.6935     29.8662     28.8300
    83 CA   ASN     83      0.9652     29.6461     28.9400
    84 CA   ILE     84      1.1926     29.6751     20.9000
    85 CA   ILE     85      0.8094     29.6263     17.9000
    86 CA   GLY     86      1.0387     29.6555     18.8100
    87 CA   ARG     87      1.4781     29.7114     22.1600
    88 CA   ASN     88      1.1465     29.6692     20.9500
    89 CA   LEU     89      0.8778     29.6350     16.6700
    90 CA   LEU     90      1.3732     29.6981     19.5800
    91 CA   THR     91      1.9727     29.7744     17.4500
    92 CA   GLN     92      1.4912     29.7131     20.9700
    93 CA   ILE     93      2.2991     29.8159     23.5800
    94 CA   GLY     94      4.2351     30.0624     27.5000
    95 CA   CYS     95      3.4357     29.9606     27.4400
    96 CA   THR     96      5.8543     30.2685     24.8200
    97 CA   LEU     97      7.9157     30.5310     24.2400
    98 CA   ASN     98     19.8716     32.0530     28.6500
    99 CA   PHE     99    797.1008    130.9960     33.2000

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).
Between 2015 and 2025, it was hosted by US2B (Nantes).
Last modification: december 26th, 2025.