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***  Leucine binding protein  ***

B-factor analysis for ID 22050108083495805

Overall B-factor prediction

Correlation= 0.466 for 345 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   ASP      1      0.1816     41.4346     23.7800
    10 CA   ASP      2      0.0858     24.6891     18.5200
    18 CA   ILE      3      0.0409     16.8340     14.5800
    26 CA   LYS      4      0.0333     15.5042     16.8900
    35 CA   VAL      5      0.0164     12.5514     14.3500
    42 CA   ALA      6      0.0173     12.7110     12.1200
    47 CA   VAL      7      0.0143     12.1788     12.3600
    54 CA   VAL      8      0.0201     13.1984     11.5600
    61 CA   GLY      9      0.0298     14.8929     15.4500
    65 CA   ALA     10      0.0465     17.8129     15.7800
    70 CA   MET     11      0.0595     20.0815     17.3900
    78 CA   SER     12      0.0859     24.6976     16.7100
    84 CA   GLY     13      0.1289     32.2278     18.1700
    88 CA   PRO     14      0.1457     35.1675     17.9600
    95 CA   ILE     15      0.0792     23.5315     15.0700
   103 CA   ALA     16      0.0709     22.0817     15.4200
   108 CA   GLN     17      0.0783     23.3748     17.3700
   117 CA   TRP     18      0.0494     18.3153     15.3000
   131 CA   GLY     19      0.0380     16.3321     12.2900
   135 CA   ASP     20      0.0392     16.5432     14.1000
   143 CA   MET     21      0.0279     14.5534     12.3900
   151 CA   GLU     22      0.0183     12.8734     13.4700
   160 CA   PHE     23      0.0205     13.2623     12.4100
   171 CA   ASN     24      0.0225     13.6171     14.3300
   179 CA   GLY     25      0.0135     12.0361     12.4200
   183 CA   ALA     26      0.0108     11.5717     12.3400
   188 CA   ARG     27      0.0200     13.1831     14.3600
   199 CA   GLN     28      0.0202     13.2096     14.7200
   208 CA   ALA     29      0.0170     12.6458     13.5000
   213 CA   ILE     30      0.0208     13.3104     12.6300
   221 CA   LYS     31      0.0430     17.1974     13.8300
   230 CA   ASP     32      0.0413     16.8947     13.9800
   238 CA   ILE     33      0.0355     15.8912     14.1600
   246 CA   ASN     34      0.0475     17.9834     13.3100
   254 CA   ALA     35      0.1206     30.7742     15.4400
   259 CA   LYS     36      0.1338     33.0858     18.4900
   268 CA   GLY     37      0.0974     26.7172     15.3600
   272 CA   GLY     38      0.0540     19.1293     14.8700
   276 CA   ILE     39      0.0531     18.9589     17.0700
   284 CA   LYS     40      0.0922     25.8018     19.8600
   293 CA   GLY     41      0.1057     28.1628     18.4200
   297 CA   ASP     42      0.0839     24.3527     17.8400
   305 CA   LYS     43      0.0544     19.2003     16.6100
   314 CA   LEU     44      0.0325     15.3693     16.0300
   322 CA   VAL     45      0.0363     16.0287     15.2000
   329 CA   GLY     46      0.0276     14.5093     15.8600
   333 CA   VAL     47      0.0297     14.8670     16.0100
   340 CA   GLU     48      0.0291     14.7648     15.2400
   349 CA   TYR     49      0.0363     16.0231     12.5200
   361 CA   ASP     50      0.0466     17.8230     13.1300
   369 CA   ASP     51      0.0506     18.5238     19.2000
   377 CA   ALA     52      0.0671     21.4199     20.0000
   382 CA   CYS     53      0.0614     20.4175     22.1200
   388 CA   ASP     54      0.0803     23.7211     25.0700
   396 CA   PRO     55      0.0797     23.6154     23.3400
   403 CA   LYS     56      0.1038     27.8336     24.4700
   412 CA   GLN     57      0.0729     22.4209     19.9900
   421 CA   ALA     58      0.0491     18.2605     19.3900
   426 CA   VAL     59      0.0578     19.7823     20.4700
   433 CA   ALA     60      0.0687     21.6891     19.6000
   438 CA   VAL     61      0.0458     17.6898     17.9600
   445 CA   ALA     62      0.0376     16.2629     16.8500
   450 CA   ASN     63      0.0577     19.7658     21.2400
   458 CA   LYS     64      0.0603     20.2307     21.8500
   467 CA   ILE     65      0.0376     16.2638     18.2500
   475 CA   VAL     66      0.0474     17.9729     23.3700
   482 CA   ASN     67      0.0936     26.0467     27.4900
   490 CA   ASP     68      0.0743     22.6808     26.3700
   498 CA   GLY     69      0.0581     19.8391     22.4300
   502 CA   ILE     70      0.0342     15.6586     17.9500
   510 CA   LYS     71      0.0242     13.9109     17.4000
   519 CA   TYR     72      0.0145     12.2202     14.2400
   531 CA   VAL     73      0.0094     11.3280     12.6500
   538 CA   ILE     74      0.0071     10.9195     13.1700
   546 CA   GLY     75      0.0130     11.9505     15.4500
   550 CA   HIS     76      0.0202     13.2193     16.3300
   560 CA   LEU     77      0.0275     14.4842     19.9300
   568 CA   CYS     78      0.0423     17.0843     24.9900
   574 CA   SER     79      0.0511     18.6170     27.5600
   580 CA   SER     80      0.0635     20.7849     26.3400
   586 CA   SER     81      0.0463     17.7730     21.9900
   592 CA   THR     82      0.0319     15.2525     18.2200
   599 CA   GLN     83      0.0430     17.1945     19.9300
   608 CA   PRO     84      0.0484     18.1496     19.2500
   615 CA   ALA     85      0.0347     15.7427     16.3600
   620 CA   SER     86      0.0286     14.6803     14.6600
   626 CA   ASP     87      0.0425     17.1150     16.9800
   634 CA   ILE     88      0.0407     16.7914     16.8800
   642 CA   TYR     89      0.0257     14.1821     15.4000
   654 CA   GLU     90      0.0311     15.1199     18.5600
   663 CA   ASP     91      0.0587     19.9398     22.7100
   671 CA   GLU     92      0.0498     18.3966     22.9800
   680 CA   GLY     93      0.0327     15.4015     21.4800
   684 CA   ILE     94      0.0217     13.4770     17.9700
   692 CA   LEU     95      0.0128     11.9229     15.1700
   700 CA   MET     96      0.0102     11.4581     13.8700
   708 CA   ILE     97      0.0077     11.0307     14.4400
   716 CA   SER     98      0.0116     11.7130     14.8000
   722 CA   PRO     99      0.0142     12.1567     18.2000
   729 CA   GLY    100      0.0237     13.8194     27.8600
   733 CA   ALA    101      0.0333     15.5086     32.9200
   738 CA   THR    102      0.0509     18.5800     32.3400
   745 CA   ASN    103      0.0620     20.5197     26.4900
   753 CA   PRO    104      0.0586     19.9249     25.8800
   760 CA   GLU    105      0.0678     21.5341     27.1700
   769 CA   LEU    106      0.0420     17.0223     22.2100
   777 CA   THR    107      0.0393     16.5564     19.4000
   784 CA   GLN    108      0.0637     20.8200     18.7400
   793 CA   ARG    109      0.0622     20.5515     17.4500
   804 CA   GLY    110      0.0596     20.1012     19.2700
   808 CA   TYR    111      0.0364     16.0492     18.6800
   820 CA   GLN    112      0.0323     15.3375     19.3900
   829 CA   HIS    113      0.0208     13.3146     20.1100
   839 CA   ILE    114      0.0179     12.8049     20.2000
   847 CA   MET    115      0.0143     12.1779     16.3400
   855 CA   ARG    116      0.0157     12.4270     17.3700
   866 CA   THR    117      0.0145     12.2121     15.0400
   873 CA   ALA    118      0.0225     13.6077     18.9100
   878 CA   GLY    119      0.0340     15.6205     20.8000
   882 CA   LEU    120      0.0389     16.4771     20.2100
   890 CA   ASP    121      0.0491     18.2728     17.5000
   898 CA   SER    122      0.0482     18.1178     15.6200
   904 CA   SER    123      0.0389     16.4839     15.8800
   910 CA   GLN    124      0.0289     14.7405     14.1800
   919 CA   GLY    125      0.0306     15.0392     12.9800
   923 CA   PRO    126      0.0378     16.2843     15.7700
   930 CA   THR    127      0.0309     15.0881     13.2800
   937 CA   ALA    128      0.0206     13.2908     12.9700
   942 CA   ALA    129      0.0361     15.9878     13.7600
   947 CA   LYS    130      0.0450     17.5487     15.5000
   956 CA   TYR    131      0.0382     16.3613     15.0400
   968 CA   ILE    132      0.0308     15.0620     15.2800
   976 CA   LEU    133      0.0599     20.1547     17.8300
   984 CA   GLU    134      0.0825     24.1124     21.4200
   993 CA   THR    135      0.0700     21.9215     20.3900
  1000 CA   VAL    136      0.0519     18.7631     19.6700
  1007 CA   LYS    137      0.0766     23.0684     19.8300
  1016 CA   PRO    138      0.0581     19.8374     18.3700
  1023 CA   GLN    139      0.0906     25.5247     22.2000
  1032 CA   ARG    140      0.0592     20.0324     16.4100
  1043 CA   ILE    141      0.0339     15.6099     14.9700
  1051 CA   ALA    142      0.0278     14.5436     14.2800
  1056 CA   ILE    143      0.0215     13.4426     13.9900
  1064 CA   ILE    144      0.0246     13.9787     14.5000
  1072 CA   HIS    145      0.0365     16.0702     13.3300
  1082 CA   ASP    146      0.0581     19.8331     14.3900
  1090 CA   LYS    147      0.0842     24.4103     17.6200
  1099 CA   GLN    148      0.0986     26.9285     16.7200
  1108 CA   GLN    149      0.1098     28.8810     19.4800
  1117 CA   TYR    150      0.0699     21.9034     12.3900
  1129 CA   GLY    151      0.0453     17.5959     12.8400
  1133 CA   GLU    152      0.0541     19.1431     13.9100
  1142 CA   GLY    153      0.0575     19.7367     13.2800
  1146 CA   LEU    154      0.0343     15.6720     12.7500
  1154 CA   ALA    155      0.0299     14.9011     12.8300
  1159 CA   ARG    156      0.0503     18.4767     14.0400
  1170 CA   SER    157      0.0458     17.6940     14.4500
  1176 CA   VAL    158      0.0303     14.9830     12.9900
  1183 CA   GLN    159      0.0446     17.4885     13.7500
  1192 CA   ASP    160      0.0716     22.2060     16.9100
  1200 CA   GLY    161      0.0638     20.8325     15.3200
  1204 CA   LEU    162      0.0555     19.3835     15.5700
  1212 CA   LYS    163      0.0898     25.3824     16.6400
  1221 CA   ALA    164      0.1351     33.3023     17.6600
  1226 CA   ALA    165      0.1461     35.2279     15.4300
  1231 CA   ASN    166      0.1812     41.3689     15.6300
  1239 CA   ALA    167      0.0880     25.0775     17.7400
  1244 CA   ASN    168      0.0811     23.8573     17.9800
  1252 CA   VAL    169      0.0558     19.4332     16.7800
  1259 CA   VAL    170      0.0643     20.9250     17.8000
  1266 CA   PHE    171      0.0533     19.0031     16.9300
  1277 CA   PHE    172      0.0449     17.5238     17.8900
  1288 CA   ASP    173      0.0527     18.8973     17.9600
  1296 CA   GLY    174      0.0597     20.1205     17.0500
  1300 CA   ILE    175      0.0668     21.3671     17.5700
  1308 CA   THR    176      0.0981     26.8292     21.3900
  1315 CA   ALA    177      0.0987     26.9477     22.7100
  1320 CA   GLY    178      0.1240     31.3701     23.3500
  1324 CA   GLU    179      0.1037     27.8183     23.6200
  1333 CA   LYS    180      0.1081     28.5800     22.6900
  1342 CA   ASP    181      0.1110     29.0844     16.1000
  1350 CA   PHE    182      0.0693     21.7976     14.7900
  1361 CA   SER    183      0.1005     27.2487     14.1300
  1367 CA   ALA    184      0.1158     29.9319     14.0200
  1372 CA   LEU    185      0.0563     19.5238     13.4800
  1380 CA   ILE    186      0.0504     18.4908     15.0300
  1388 CA   ALA    187      0.0806     23.7673     14.1000
  1393 CA   ARG    188      0.0687     21.6861     15.4600
  1404 CA   LEU    189      0.0474     17.9680     15.7600
  1412 CA   LYS    190      0.0706     22.0304     16.9600
  1421 CA   LYS    191      0.1044     27.9413     20.8500
  1430 CA   GLU    192      0.0817     23.9710     20.8600
  1439 CA   ASN    193      0.0783     23.3768     19.6600
  1447 CA   ILE    194      0.0459     17.7137     15.7400
  1455 CA   ASP    195      0.0411     16.8597     16.7900
  1463 CA   PHE    196      0.0223     13.5797     13.9900
  1474 CA   VAL    197      0.0118     11.7412     12.4300
  1481 CA   TYR    198      0.0087     11.2057     11.6500
  1493 CA   TYR    199      0.0135     12.0391     12.6800
  1505 CA   GLY    200      0.0237     13.8308     12.3300
  1509 CA   GLY    201      0.0365     16.0614     13.5200
  1513 CA   TYR    202      0.0484     18.1517     13.2500
  1525 CA   TYR    203      0.0510     18.6029     14.8900
  1537 CA   PRO    204      0.0704     21.9995     15.8400
  1544 CA   GLU    205      0.0501     18.4422     14.1800
  1553 CA   MET    206      0.0302     14.9685     13.6200
  1561 CA   GLY    207      0.0485     18.1634     14.2300
  1565 CA   GLN    208      0.0576     19.7463     17.2100
  1574 CA   MET    209      0.0355     15.8850     16.4200
  1582 CA   LEU    210      0.0329     15.4411     14.5800
  1590 CA   ARG    211      0.0591     20.0147     18.9800
  1601 CA   GLN    212      0.0604     20.2434     17.3000
  1610 CA   ALA    213      0.0450     17.5539     14.8900
  1615 CA   ARG    214      0.0595     20.0872     17.0300
  1626 CA   SER    215      0.1059     28.2062     19.1700
  1632 CA   VAL    216      0.0994     27.0622     18.8000
  1639 CA   GLY    217      0.0960     26.4768     17.9300
  1643 CA   LEU    218      0.0617     20.4615     20.7900
  1651 CA   LYS    219      0.0782     23.3558     24.4600
  1660 CA   THR    220      0.0344     15.6918     18.1200
  1667 CA   GLN    221      0.0196     13.1140     14.6400
  1676 CA   PHE    222      0.0109     11.5893     12.8500
  1687 CA   MET    223      0.0081     11.1036     11.8900
  1695 CA   GLY    224      0.0116     11.7134     11.8100
  1699 CA   PRO    225      0.0206     13.2823     11.6800
  1706 CA   GLU    226      0.0315     15.1836     15.2300
  1715 CA   GLY    227      0.0444     17.4429     15.4100
  1719 CA   VAL    228      0.0328     15.4225     15.1800
  1726 CA   GLY    229      0.0435     17.2925     20.7600
  1730 CA   ASN    230      0.0730     22.4375     21.3300
  1738 CA   ALA    231      0.1091     28.7560     29.8300
  1743 CA   SER    232      0.1133     29.4925     34.6100
  1749 CA   LEU    233      0.0676     21.5062     34.2000
  1757 CA   SER    234      0.0738     22.5801     35.1500
  1763 CA   ASN    235      0.1221     31.0353     35.8700
  1771 CA   ILE    236      0.0952     26.3299     28.9300
  1779 CA   ALA    237      0.0693     21.7959     24.6100
  1784 CA   GLY    238      0.0898     25.3804     28.6200
  1788 CA   ASP    239      0.0953     26.3422     28.4300
  1796 CA   ALA    240      0.0572     19.6774     20.8300
  1801 CA   ALA    241      0.0419     17.0132     20.2400
  1806 CA   GLU    242      0.0497     18.3698     17.8200
  1815 CA   GLY    243      0.0344     15.6938     17.2200
  1819 CA   MET    244      0.0202     13.2195     16.3100
  1827 CA   LEU    245      0.0155     12.3864     14.7000
  1835 CA   VAL    246      0.0175     12.7479     15.7800
  1842 CA   THR    247      0.0225     13.6236     14.9200
  1849 CA   MET    248      0.0332     15.4868     17.5000
  1857 CA   PRO    249      0.0382     16.3656     19.2500
  1864 CA   LYS    250      0.0382     16.3583     19.3100
  1873 CA   ARG    251      0.0310     15.1038     21.0200
  1884 CA   TYR    252      0.0316     15.2143     18.6800
  1896 CA   ASP    253      0.0354     15.8659     23.0500
  1904 CA   GLN    254      0.0496     18.3508     27.6400
  1913 CA   ASP    255      0.0605     20.2628     27.5900
  1921 CA   PRO    256      0.0896     25.3458     26.7700
  1928 CA   ALA    257      0.0760     22.9772     26.1700
  1933 CA   ASN    258      0.0391     16.5265     22.0000
  1941 CA   GLN    259      0.0514     18.6655     24.1600
  1950 CA   GLY    260      0.0565     19.5603     22.1800
  1954 CA   ILE    261      0.0314     15.1652     21.2400
  1962 CA   VAL    262      0.0367     16.0944     21.6100
  1969 CA   ASP    263      0.0623     20.5714     25.0800
  1977 CA   ALA    264      0.0567     19.5937     24.5700
  1982 CA   LEU    265      0.0439     17.3634     28.1000
  1990 CA   LYS    266      0.0685     21.6609     32.4100
  1999 CA   ALA    267      0.1097     28.8560     37.0100
  2004 CA   ASP    268      0.0920     25.7734     38.4200
  2012 CA   LYS    269      0.1104     28.9847     38.0100
  2021 CA   LYS    270      0.0710     22.1049     34.7000
  2030 CA   ASP    271      0.0591     20.0186     32.3300
  2038 CA   PRO    272      0.0373     16.1976     26.5000
  2045 CA   SER    273      0.0430     17.1974     25.0300
  2051 CA   GLY    274      0.0378     16.2875     21.5300
  2055 CA   PRO    275      0.0303     14.9866     19.9100
  2062 CA   TYR    276      0.0226     13.6389     14.8500
  2074 CA   VAL    277      0.0186     12.9294     13.3700
  2081 CA   TRP    278      0.0162     12.5184     12.8100
  2095 CA   ILE    279      0.0147     12.2534     12.7100
  2103 CA   THR    280      0.0095     11.3490     11.5900
  2110 CA   TYR    281      0.0099     11.4156     11.5900
  2122 CA   ALA    282      0.0117     11.7241     11.5600
  2127 CA   ALA    283      0.0076     11.0063     12.7400
  2132 CA   VAL    284      0.0071     10.9231     11.6300
  2139 CA   GLN    285      0.0125     11.8580     11.2100
  2148 CA   SER    286      0.0132     11.9960     12.3000
  2154 CA   LEU    287      0.0120     11.7788     12.1900
  2162 CA   ALA    288      0.0186     12.9337     13.3200
  2167 CA   THR    289      0.0281     14.5857     13.3600
  2174 CA   ALA    290      0.0274     14.4778     14.3000
  2179 CA   LEU    291      0.0331     15.4605     14.8000
  2187 CA   GLU    292      0.0480     18.0667     17.5100
  2196 CA   ARG    293      0.0571     19.6615     18.6200
  2207 CA   THR    294      0.0588     19.9608     18.8700
  2214 CA   GLY    295      0.0802     23.7075     21.8300
  2218 CA   SER    296      0.0632     20.7273     22.1800
  2224 CA   ASP    297      0.0526     18.8839     24.3500
  2232 CA   GLU    298      0.0467     17.8516     22.0900
  2241 CA   PRO    299      0.0255     14.1484     18.1100
  2248 CA   LEU    300      0.0321     15.2864     20.3500
  2256 CA   ALA    301      0.0395     16.5869     18.3900
  2261 CA   LEU    302      0.0259     14.2016     16.0600
  2269 CA   VAL    303      0.0236     13.8063     18.4600
  2276 CA   LYS    304      0.0402     16.7116     20.0200
  2285 CA   ASP    305      0.0385     16.4125     16.3100
  2293 CA   LEU    306      0.0285     14.6611     13.8100
  2301 CA   LYS    307      0.0360     15.9816     16.3800
  2310 CA   ALA    308      0.0536     19.0612     17.4800
  2315 CA   ASN    309      0.0530     18.9560     17.4200
  2323 CA   GLY    310      0.0374     16.2123     17.6600
  2327 CA   ALA    311      0.0296     14.8502     14.0100
  2332 CA   ASN    312      0.0386     16.4308     18.0100
  2340 CA   THR    313      0.0223     13.5761     16.7600
  2347 CA   VAL    314      0.0222     13.5677     17.3000
  2354 CA   ILE    315      0.0249     14.0346     17.5500
  2362 CA   GLY    316      0.0351     15.8114     21.0200
  2366 CA   PRO    317      0.0453     17.6098     20.7100
  2373 CA   LEU    318      0.0302     14.9626     16.6300
  2381 CA   ASN    319      0.0352     15.8374     18.1700
  2389 CA   TRP    320      0.0321     15.2967     17.4600
  2403 CA   ASP    321      0.0486     18.1867     18.2600
  2411 CA   GLU    322      0.0522     18.8166     20.3200
  2420 CA   LYS    323      0.0441     17.3916     18.9700
  2429 CA   GLY    324      0.0274     14.4639     14.2200
  2433 CA   ASP    325      0.0305     15.0094     16.3300
  2441 CA   LEU    326      0.0305     15.0146     17.2200
  2449 CA   LYS    327      0.0455     17.6325     19.7300
  2458 CA   GLY    328      0.0496     18.3529     18.1600
  2462 CA   PHE    329      0.0364     16.0486     18.2000
  2473 CA   ASP    330      0.0354     15.8634     17.3500
  2481 CA   PHE    331      0.0348     15.7596     16.7800
  2492 CA   GLY    332      0.0336     15.5492     16.9900
  2496 CA   VAL    333      0.0265     14.3209     16.6000
  2503 CA   PHE    334      0.0283     14.6246     18.0000
  2514 CA   GLN    335      0.0341     15.6509     19.4900
  2523 CA   TRP    336      0.0375     16.2411     18.5300
  2537 CA   HIS    337      0.0598     20.1449     21.6700
  2547 CA   ALA    338      0.0794     23.5586     24.4300
  2552 CA   ASP    339      0.1185     30.4108     29.8100
  2560 CA   GLY    340      0.0908     25.5549     26.4400
  2564 CA   SER    341      0.0831     24.2171     23.9400
  2570 CA   SER    342      0.0538     19.0934     23.8900
  2576 CA   THR    343      0.0534     19.0199     25.7200
  2583 CA   LYS    344      0.0439     17.3635     30.0300
  2592 CA   ALA    345      0.0562     19.5010     35.2000

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).
Last modification: October 18th, 2018.