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***  METAL BINDING PROTEIN 30-OCT-99 1D9V  ***

B-factor analysis for ID 22020211090880531

Overall B-factor prediction

Correlation= 0.525 for 310 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      0.0340     29.1776     26.7500
    10 CA   ILE      2      0.0214     20.9439     23.2700
    18 CA   THR      3      0.0184     18.9981     21.6300
    25 CA   VAL      4      0.0135     15.7820     16.9100
    32 CA   TYR      5      0.0143     16.2772     14.8800
    44 CA   ASN      6      0.0149     16.7191     18.1400
    52 CA   GLY      7      0.0173     18.2535     21.7800
    56 CA   GLN      8      0.0147     16.5575     23.0100
    65 CA   HIS      9      0.0281     25.3386     41.2200
    75 CA   LYS     10      0.0296     26.2905     39.0900
    84 CA   GLU     11      0.0250     23.2650     44.8800
    93 CA   ALA     12      0.0165     17.7297     32.3700
    98 CA   ALA     13      0.0167     17.8919     24.9300
   103 CA   THR     14      0.0244     22.8761     26.2000
   110 CA   ALA     15      0.0197     19.8147     25.9700
   115 CA   VAL     16      0.0137     15.9192     25.6400
   122 CA   ALA     17      0.0194     19.6621     20.3900
   127 CA   LYS     18      0.0348     29.7053     29.6900
   136 CA   ALA     19      0.0256     23.6572     21.5500
   141 CA   PHE     20      0.0185     19.0428     24.4800
   152 CA   GLU     21      0.0326     28.2489     28.7800
   161 CA   GLN     22      0.0536     41.9930     31.3100
   170 CA   GLU     23      0.0490     38.9879     40.2100
   179 CA   THR     24      0.0451     36.4283     26.8300
   186 CA   GLY     25      0.0504     39.8579     27.8800
   190 CA   ILE     26      0.0350     29.8022     30.5700
   198 CA   LYS     27      0.0377     31.5591     31.8500
   207 CA   VAL     28      0.0256     23.6707     26.7900
   214 CA   THR     29      0.0270     24.6289     19.7800
   221 CA   LEU     30      0.0232     22.0989     24.8300
   229 CA   ASN     31      0.0272     24.7356     23.8000
   237 CA   SER     32      0.0293     26.1312     22.5600
   243 CA   GLY     33      0.0450     36.3831     23.3300
   247 CA   LYS     34      0.0469     37.5851     25.5900
   256 CA   SER     35      0.0233     22.2040     26.4200
   262 CA   GLU     36      0.0409     33.6957     33.9300
   271 CA   GLN     37      0.0524     41.1713     30.6500
   280 CA   LEU     38      0.0288     25.7999     26.4300
   288 CA   ALA     39      0.0291     25.9828     21.1100
   293 CA   GLY     40      0.0422     34.5563     28.1300
   297 CA   GLN     41      0.0403     33.2983     20.2000
   306 CA   LEU     42      0.0284     25.4971     24.3800
   314 CA   LYS     43      0.0419     34.3486     26.3700
   323 CA   GLU     44      0.0667     50.5266     23.3000
   332 CA   GLU     45      0.0496     39.3795     34.0000
   341 CA   GLY     46      0.0502     39.7333     27.6400
   345 CA   ASP     47      0.0747     55.7846     42.3200
   353 CA   LYS     48      0.0707     53.1218     33.6100
   362 CA   THR     49      0.0368     30.9698     29.5000
   369 CA   PRO     50      0.0342     29.2788     22.1700
   376 CA   ALA     51      0.0182     18.8779     18.9100
   381 CA   ASP     52      0.0143     16.3328     10.7500
   389 CA   VAL     53      0.0081     12.2818     16.9700
   396 CA   PHE     54      0.0079     12.0974     18.3700
   407 CA   TYR     55      0.0074     11.7804     20.0000
   419 CA   THR     56      0.0094     13.0907     18.3200
   426 CA   GLU     57      0.0114     14.3889     20.8300
   435 CA   GLN     58      0.0108     14.0279     17.8000
   444 CA   THR     59      0.0103     13.6949     20.4900
   451 CA   ALA     60      0.0148     16.6533     24.2500
   456 CA   THR     61      0.0157     17.1895     27.7400
   463 CA   PHE     62      0.0132     15.5754     21.4700
   474 CA   ALA     63      0.0276     25.0054     27.1400
   479 CA   ASP     64      0.0335     28.8343     22.6600
   487 CA   LEU     65      0.0226     21.7353     18.2900
   495 CA   SER     66      0.0242     22.7700     21.4100
   501 CA   GLU     67      0.0540     42.2123     20.5300
   510 CA   ALA     68      0.0553     43.0914     19.3400
   515 CA   GLY     69      0.0381     31.8360     26.6600
   519 CA   LEU     70      0.0261     23.9815     17.6600
   527 CA   LEU     71      0.0164     17.6493     14.1500
   535 CA   ALA     72      0.0178     18.6021     16.2600
   540 CA   PRO     73      0.0199     19.9349     19.6500
   547 CA   ILE     74      0.0162     17.5617     15.0100
   555 CA   SER     75      0.0339     29.1252     13.4700
   561 CA   GLU     76      0.0380     31.8005     24.5600
   570 CA   GLN     77      0.0430     35.0607     16.1000
   579 CA   THR     78      0.0198     19.8844     17.8600
   586 CA   ILE     79      0.0172     18.1801     19.7400
   594 CA   GLN     80      0.0260     23.9379     14.9300
   603 CA   GLN     81      0.0161     17.4540     16.1700
   612 CA   THR     82      0.0129     15.3823     20.2600
   619 CA   ALA     83      0.0201     20.0822     20.1200
   624 CA   GLN     84      0.0190     19.3920     23.9100
   633 CA   LYS     85      0.0609     46.7600     30.5300
   642 CA   GLY     86      0.0319     27.7920     15.2400
   646 CA   VAL     87      0.0158     17.3091     14.9400
   653 CA   PRO     88      0.0162     17.5659     18.9200
   660 CA   LEU     89      0.0237     22.4449     21.0800
   668 CA   ALA     90      0.0267     24.4131     14.3300
   673 CA   PRO     91      0.0568     44.0721     25.6500
   680 CA   LYS     92      0.0402     33.2460     21.1900
   689 CA   LYS     93      0.0227     21.7707     22.9700
   698 CA   ASP     94      0.0160     17.4096     14.9700
   706 CA   TRP     95      0.0096     13.2564     12.9200
   720 CA   ILE     96      0.0083     12.3900     13.2000
   728 CA   ALA     97      0.0070     11.5082     16.8000
   733 CA   LEU     98      0.0062     11.0230     14.2500
   741 CA   SER     99      0.0073     11.6994     14.9300
   747 CA   GLY    100      0.0082     12.2940     13.5300
   751 CA   ARG    101      0.0077     11.9922     13.3600
   762 CA   SER    102      0.0073     11.7388     16.8200
   768 CA   ARG    103      0.0060     10.8782     14.6200
   779 CA   VAL    104      0.0050     10.2171     14.5500
   786 CA   VAL    105      0.0055     10.5403     13.0300
   793 CA   VAL    106      0.0062     11.0164     14.8200
   800 CA   TYR    107      0.0109     14.0546     16.2300
   812 CA   ASP    108      0.0152     16.9041     18.4200
   820 CA   HIS    109      0.0249     23.2445     15.8000
   830 CA   THR    110      0.0436     35.4525     28.1300
   837 CA   LYS    111      0.0335     28.8210     24.3800
   846 CA   LEU    112      0.0270     24.5808     16.9700
   854 CA   SER    113      0.0419     34.3426     16.2400
   860 CA   GLU    114      0.0385     32.1142     21.5000
   869 CA   LYS    115      0.0802     59.3702     35.4500
   878 CA   ASP    116      0.0402     33.2241     14.2500
   886 CA   MET    117      0.0148     16.6442     18.8700
   894 CA   GLU    118      0.0144     16.3578     18.1700
   903 CA   LYS    119      0.0168     17.9358     27.6100
   912 CA   SER    120      0.0134     15.7119     20.4000
   918 CA   VAL    121      0.0100     13.5211     16.6600
   925 CA   LEU    122      0.0115     14.4429     17.9900
   933 CA   ASP    123      0.0143     16.2961     13.0000
   941 CA   TYR    124      0.0110     14.1268     12.3700
   953 CA   ALA    125      0.0147     16.5833     17.1300
   958 CA   THR    126      0.0219     21.2750     20.3200
   965 CA   PRO    127      0.0447     36.1598     20.2700
   972 CA   LYS    128      0.0439     35.6637     20.1100
   981 CA   TRP    129      0.0200     20.0276     19.0400
   995 CA   LYS    130      0.0297     26.3778     14.7600
  1004 CA   GLY    131      0.0273     24.7694     16.9600
  1008 CA   LYS    132      0.0197     19.8000     23.0400
  1017 CA   ILE    133      0.0112     14.2770     19.6100
  1025 CA   GLY    134      0.0119     14.7042     14.2800
  1029 CA   TYR    135      0.0124     15.0783     15.1500
  1041 CA   VAL    136      0.0154     16.9990     23.0200
  1048 CA   SER    137      0.0219     21.2747     25.4700
  1054 CA   THR    138      0.0341     29.2497     26.2900
  1061 CA   SER    139      0.0228     21.8691     26.4200
  1067 CA   GLY    140      0.0256     23.7058     16.8400
  1071 CA   ALA    141      0.0150     16.7917     19.5200
  1076 CA   PHE    142      0.0113     14.3561     13.1300
  1087 CA   LEU    143      0.0150     16.7339     17.6000
  1095 CA   GLU    144      0.0134     15.6987     15.4300
  1104 CA   GLN    145      0.0100     13.4900     13.5500
  1113 CA   VAL    146      0.0108     14.0065     16.4900
  1120 CA   VAL    147      0.0148     16.6445     17.0900
  1127 CA   ALA    148      0.0146     16.4737     23.4000
  1132 CA   LEU    149      0.0144     16.3585     22.7000
  1140 CA   SER    150      0.0202     20.1757     19.0900
  1146 CA   LYS    151      0.0227     21.7970     17.6700
  1155 CA   MET    152      0.0221     21.4168     22.6100
  1163 CA   LYS    153      0.0300     26.5771     23.5500
  1172 CA   GLY    154      0.0329     28.4716     20.7400
  1176 CA   ASP    155      0.0328     28.4107     26.4200
  1184 CA   LYS    156      0.0516     40.6406     32.4300
  1193 CA   VAL    157      0.0275     24.9337     22.0000
  1200 CA   ALA    158      0.0182     18.8638     21.0000
  1205 CA   LEU    159      0.0230     21.9789     30.2600
  1213 CA   ASN    160      0.0250     23.2984     23.6000
  1221 CA   TRP    161      0.0137     15.8977     16.7600
  1235 CA   LEU    162      0.0140     16.1326     15.6000
  1243 CA   LYS    163      0.0210     20.6891     35.5100
  1252 CA   GLY    164      0.0205     20.3498     18.4600
  1256 CA   LEU    165      0.0145     16.4188     21.9000
  1264 CA   LYS    166      0.0227     21.7854     27.1100
  1273 CA   GLU    167      0.0328     28.3895     20.9300
  1282 CA   ASN    168      0.0226     21.6929     16.5000
  1290 CA   GLY    169      0.0174     18.3255     17.7300
  1294 CA   LYS    170      0.0194     19.6150     20.6200
  1303 CA   LEU    171      0.0213     20.9057     23.1100
  1311 CA   TYR    172      0.0218     21.2219     21.2600
  1323 CA   ALA    173      0.0381     31.8297     25.2500
  1328 CA   LYS    174      0.0333     28.7208     21.6000
  1337 CA   ASN    175      0.0165     17.7565     23.6700
  1345 CA   SER    176      0.0245     22.9752     18.0100
  1351 CA   VAL    177      0.0265     24.2470     24.8600
  1358 CA   ALA    178      0.0167     17.9012     18.7200
  1363 CA   LEU    179      0.0140     16.1037     17.5200
  1371 CA   GLN    180      0.0218     21.1868     24.7100
  1380 CA   ALA    181      0.0228     21.8396     22.9300
  1385 CA   VAL    182      0.0160     17.3847     20.8600
  1392 CA   GLU    183      0.0206     20.4403     25.9000
  1401 CA   ASN    184      0.0356     30.2291     34.9800
  1409 CA   GLY    185      0.0308     27.0954     26.9000
  1413 CA   GLU    186      0.0328     28.3823     25.0500
  1422 CA   VAL    187      0.0196     19.7853     19.7100
  1429 CA   PRO    188      0.0165     17.7277     16.9300
  1436 CA   ALA    189      0.0093     13.0416     15.6000
  1441 CA   ALA    190      0.0080     12.1811     15.2800
  1446 CA   LEU    191      0.0054     10.4651     13.9000
  1454 CA   ILE    192      0.0069     11.4552     14.9800
  1462 CA   ASN    193      0.0078     12.0589     12.6000
  1470 CA   ASN    194      0.0072     11.6590     16.4400
  1478 CA   TYR    195      0.0103     13.6613     17.9400
  1490 CA   TYR    196      0.0108     14.0452     22.2600
  1502 CA   TRP    197      0.0105     13.8289     18.8000
  1516 CA   TYR    198      0.0110     14.1631     15.2500
  1528 CA   ASN    199      0.0167     17.8430     24.9900
  1536 CA   LEU    200      0.0184     18.9534     30.6800
  1544 CA   ALA    201      0.0228     21.8662     23.5100
  1549 CA   LYS    202      0.0304     26.8095     36.4600
  1558 CA   GLU    203      0.0654     49.6576     33.0600
  1567 CA   LYS    204      0.0601     46.2363     35.9100
  1576 CA   GLY    205      0.0517     40.7069     30.6500
  1580 CA   VAL    206      0.0408     33.6076     37.9000
  1587 CA   GLU    207      0.1007     72.7561     50.1100
  1596 CA   ASN    208      0.0743     55.5046     32.8800
  1604 CA   LEU    209      0.0250     23.2803     35.1000
  1612 CA   LYS    210      0.0221     21.4048     21.7200
  1621 CA   SER    211      0.0132     15.5859     14.7200
  1627 CA   ARG    212      0.0142     16.2185     14.3800
  1638 CA   LEU    213      0.0076     11.9324     15.7700
  1646 CA   TYR    214      0.0078     12.0659     16.2200
  1658 CA   PHE    215      0.0072     11.6656     16.8700
  1669 CA   VAL    216      0.0087     12.6446     20.2700
  1676 CA   ARG    217      0.0129     15.4080     15.0700
  1688 CA   HIS    218      0.0202     20.1576     25.3000
  1689 CA   HIS    218      0.0204     20.3071     15.1000
  1707 CA   GLN    219      0.0177     18.5084     14.7100
  1716 CA   ASP    220      0.0142     16.2661     23.1600
  1724 CA   PRO    221      0.0108     13.9865     15.5100
  1731 CA   GLY    222      0.0087     12.6600     11.5300
  1735 CA   ALA    223      0.0087     12.6141      8.8100
  1740 CA   LEU    224      0.0085     12.4978     11.5000
  1748 CA   VAL    225      0.0085     12.4839     11.0500
  1755 CA   SER    226      0.0086     12.6100     12.6700
  1761 CA   TYR    227      0.0081     12.2425     14.9300
  1773 CA   SER    228      0.0077     12.0188     14.1300
  1779 CA   GLY    229      0.0063     11.0613     13.0400
  1783 CA   ALA    230      0.0051     10.2897     15.5000
  1788 CA   ALA    231      0.0074     11.8082     15.9200
  1793 CA   VAL    232      0.0092     13.0018     15.3800
  1800 CA   LEU    233      0.0148     16.6119     15.6400
  1808 CA   LYS    234      0.0229     21.9059     25.6600
  1817 CA   ALA    235      0.0295     26.2225     27.5700
  1822 CA   SER    236      0.0233     22.1972     30.6900
  1828 CA   LYS    237      0.0433     35.2639     38.0800
  1837 CA   ASN    238      0.0314     27.4789     22.7900
  1845 CA   GLN    239      0.0242     22.7759     18.0200
  1854 CA   ALA    240      0.0315     27.5363     18.8400
  1859 CA   GLU    241      0.0212     20.8100     16.8400
  1868 CA   ALA    242      0.0133     15.6558     17.1300
  1873 CA   GLN    243      0.0131     15.5137     13.5000
  1882 CA   LYS    244      0.0159     17.3528     19.9400
  1891 CA   PHE    245      0.0089     12.7898     15.2200
  1902 CA   VAL    246      0.0081     12.2207     15.2400
  1909 CA   ASP    247      0.0127     15.2316     21.1400
  1917 CA   PHE    248      0.0112     14.2885     16.5700
  1928 CA   LEU    249      0.0077     11.9903     18.7200
  1936 CA   ALA    250      0.0089     12.8052     19.8300
  1941 CA   SER    251      0.0151     16.8133     20.6500
  1947 CA   LYS    252      0.0185     19.0496     26.7000
  1956 CA   LYS    253      0.0203     20.2439     19.3300
  1965 CA   GLY    254      0.0122     14.9370     18.3500
  1969 CA   GLN    255      0.0107     13.9406     17.1100
  1978 CA   GLU    256      0.0165     17.7457     19.8900
  1987 CA   ALA    257      0.0144     16.3429     19.8400
  1992 CA   LEU    258      0.0114     14.4066     24.3000
  2000 CA   VAL    259      0.0133     15.6805     21.4700
  2007 CA   ALA    260      0.0184     18.9679     31.0000
  2012 CA   ALA    261      0.0166     17.7975     19.5900
  2017 CA   ARG    262      0.0141     16.1690     21.3700
  2028 CA   ALA    263      0.0098     13.3452     19.8500
  2033 CA   GLU    264      0.0089     12.7734     17.6100
  2042 CA   TYR    265      0.0080     12.1803     13.8900
  2054 CA   PRO    266      0.0093     13.0546     19.5700
  2061 CA   LEU    267      0.0101     13.5463     15.2400
  2069 CA   ARG    268      0.0117     14.6292     32.1500
  2080 CA   ALA    269      0.0301     26.6171     36.8700
  2085 CA   ASP    270      0.0332     28.6780     28.6100
  2093 CA   VAL    271      0.0198     19.9152     20.3900
  2100 CA   VAL    272      0.0272     24.7464     28.4000
  2107 CA   SER    273      0.0176     18.4756     19.5000
  2113 CA   PRO    274      0.0236     22.3770     30.7800
  2120 CA   PHE    275      0.0175     18.4204     19.7800
  2131 CA   ASN    276      0.0232     22.1382     26.3000
  2139 CA   LEU    277      0.0125     15.1003     21.0300
  2147 CA   GLU    278      0.0137     15.9158     16.9900
  2156 CA   PRO    279      0.0170     18.0952     22.9000
  2163 CA   TYR    280      0.0123     14.9688     23.0600
  2175 CA   GLU    281      0.0211     20.7209     23.7800
  2184 CA   LYS    282      0.0203     20.2293     23.8400
  2193 CA   LEU    283      0.0120     14.7865     18.5900
  2201 CA   GLU    284      0.0161     17.4702     15.6800
  2210 CA   ALA    285      0.0129     15.3665     15.1100
  2215 CA   PRO    286      0.0160     17.3809     19.0200
  2222 CA   VAL    287      0.0249     23.2376     19.9100
  2229 CA   VAL    288      0.0325     28.1893     23.1100
  2236 CA   SER    289      0.0545     42.5402     24.3800
  2242 CA   ALA    290      0.0410     33.7153     30.9700
  2247 CA   THR    291      0.0269     24.5368     26.1500
  2254 CA   THR    292      0.0407     33.5327     22.4300
  2261 CA   ALA    293      0.0796     58.9888     39.6800
  2266 CA   GLN    294      0.0728     54.4926     33.9600
  2275 CA   ASP    295      0.0319     27.7832     24.3600
  2283 CA   LYS    296      0.0313     27.3751     25.9100
  2292 CA   GLU    297      0.0509     40.2037     35.1900
  2301 CA   HIS    298      0.0365     30.7744     25.2600
  2311 CA   ALA    299      0.0251     23.3546     26.8600
  2316 CA   ILE    300      0.0339     29.1241     28.3900
  2324 CA   LYS    301      0.0374     31.4033     30.7100
  2333 CA   LEU    302      0.0272     24.7582     19.6200
  2341 CA   ILE    303      0.0251     23.3251     30.0100
  2349 CA   GLU    304      0.0413     33.9563     38.8900
  2358 CA   GLU    305      0.0396     32.8467     33.3800
  2367 CA   ALA    306      0.0316     27.5890     33.5400
  2372 CA   GLY    307      0.0418     34.2483     36.2300
  2376 CA   LEU    308      0.0312     27.3674     46.2500
  2384 CA   LYS    309      0.0472     37.8210    148.6600

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.