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***  MEMBRANE PROTEIN 03-OCT-98 1BXW  ***

B-factor analysis for ID 21110813374362683

Overall B-factor prediction

Correlation= -0.126 for 172 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   MET      0      0.0292     39.0741     53.7000
    10 CA   ALA      1      0.0191     37.0784     53.1300
    15 CA   PRO      2      0.0195     37.1613     51.5800
    22 CA   LYS      3      0.0406     41.3106     57.4600
    31 CA   ASP      4      0.0497     43.1076     54.5300
    39 CA   ASN      5      0.0579     44.7346     51.6200
    47 CA   THR      6      0.0381     40.8275     48.5400
    54 CA   TRP      7      0.0312     39.4730     44.1300
    68 CA   TYR      8      0.0194     37.1382     38.1600
    80 CA   THR      9      0.0219     37.6208     38.8700
    87 CA   GLY     10      0.0191     37.0721     30.9300
    91 CA   ALA     11      0.0221     37.6712     27.2200
    96 CA   LYS     12      0.0205     37.3539     22.0100
   105 CA   LEU     13      0.0266     38.5572     26.8800
   113 CA   GLY     14      0.0236     37.9606     44.2200
   117 CA   TRP     15      0.0265     38.5360     44.2800
   131 CA   SER     16      0.0258     38.4003     72.1900
   137 CA   GLN     17      0.0321     39.6449    117.2100
   146 CA   TYR     18      0.0279     38.8154    150.8600
   158 CA   HIS     19      0.0247     38.1828    175.4900
   168 CA   ASP     20      0.0341     40.0398    188.2800
   176 CA   THR     21      0.0706     47.2480    186.4700
   183 CA   GLY     22      0.2946     91.4590     20.0000
   187 CA   LEU     23      0.2719     86.9754     20.0000
   195 CA   ILE     24      0.4668    125.4594     20.0000
   203 CA   ASN     25      0.7282    177.0677     20.0000
   211 CA   ASN     26      0.4943    130.8783     20.0000
   219 CA   ASN     27      0.2382     80.3316     20.0000
   227 CA   GLY     28      0.1385     60.6437     20.0000
   231 CA   PRO     29      0.0759     48.2797    168.3000
   238 CA   THR     30      0.1156     56.1332    160.1400
   245 CA   HIS     31      0.1041     53.8563    136.9500
   250 CA   GLU     32      0.0329     39.7979    108.6100
   259 CA   ASN     33      0.0299     39.2066     65.4300
   267 CA   LYS     34      0.0237     37.9834     50.6000
   276 CA   LEU     35      0.0273     38.6901     36.7900
   284 CA   GLY     36      0.0274     38.7072     44.8100
   288 CA   ALA     37      0.0253     38.2931     28.9400
   293 CA   GLY     38      0.0257     38.3822     26.3300
   297 CA   ALA     39      0.0218     37.6019     25.5000
   302 CA   PHE     40      0.0171     36.6711     31.9900
   313 CA   GLY     41      0.0191     37.0779     37.8900
   317 CA   GLY     42      0.0198     37.2081     32.1500
   321 CA   TYR     43      0.0259     38.4134     40.6600
   333 CA   GLN     44      0.0209     37.4380     43.2300
   342 CA   VAL     45      0.0369     40.5863     45.9400
   349 CA   ASN     46      0.0426     41.7153     43.4600
   357 CA   PRO     47      0.0327     39.7562     44.0700
   364 CA   TYR     48      0.0309     39.4054     34.9000
   376 CA   VAL     49      0.0253     38.3037     29.5500
   383 CA   GLY     50      0.0178     36.8242     30.1300
   387 CA   PHE     51      0.0190     37.0557     32.4300
   398 CA   GLU     52      0.0143     36.1314     32.3100
   407 CA   MET     53      0.0194     37.1264     34.6900
   415 CA   GLY     54      0.0196     37.1728     32.4000
   419 CA   TYR     55      0.0242     38.0825     34.1500
   431 CA   ASP     56      0.0203     37.3140     28.4100
   439 CA   TRP     57      0.0233     37.9127     36.2200
   453 CA   LEU     58      0.0226     37.7745     43.3500
   461 CA   GLY     59      0.0286     38.9511     51.1400
   465 CA   ARG     60      0.0269     38.6073     69.4600
   476 CA   MET     61      0.0463     42.4350     84.7400
   484 CA   PRO     62      0.1267     58.3103    110.2100
   491 CA   TYR     63      0.1135     55.7155    134.5800
   503 CA   LYS     64      0.1338     59.7095    114.5300
   512 CA   GLY     65      0.2303     78.7709     20.0000
   516 CA   SER     66      0.2048     73.7402     20.0000
   522 CA   VAL     67      0.2942     91.3753     20.0000
   529 CA   GLU     68      0.1678     66.4380     20.0000
   538 CA   ASN     69      0.0832     49.7297    112.9200
   546 CA   GLY     70      0.0790     48.9076    104.3800
   550 CA   ALA     71      0.0444     42.0720     88.3100
   555 CA   TYR     72      0.0265     38.5279     68.7800
   567 CA   LYS     73      0.0268     38.5982     57.4400
   576 CA   ALA     74      0.0249     38.2149     38.9300
   581 CA   GLN     75      0.0261     38.4660     38.3800
   590 CA   GLY     76      0.0305     39.3255     34.7300
   594 CA   VAL     77      0.0254     38.3090     38.3100
   601 CA   GLN     78      0.0205     37.3516     29.5900
   610 CA   LEU     79      0.0226     37.7712     27.9500
   618 CA   THR     80      0.0181     36.8772     27.7600
   625 CA   ALA     81      0.0195     37.1543     33.1600
   630 CA   LYS     82      0.0140     36.0630     34.8400
   639 CA   LEU     83      0.0198     37.2125     40.6100
   647 CA   GLY     84      0.0226     37.7598     43.5000
   651 CA   TYR     85      0.0392     41.0412     52.5100
   663 CA   PRO     86      0.0404     41.2768     50.2900
   670 CA   ILE     87      0.0649     46.1165     55.6300
   678 CA   THR     88      0.0770     48.5123     44.9700
   685 CA   ASP     89      0.0804     49.1750     50.6400
   693 CA   ASP     90      0.0445     42.0860     43.0900
   701 CA   LEU     91      0.0337     39.9500     37.5100
   709 CA   ASP     92      0.0208     37.4057     37.7300
   717 CA   ILE     93      0.0260     38.4361     40.8500
   725 CA   TYR     94      0.0168     36.6108     31.9400
   737 CA   THR     95      0.0175     36.7634     33.8800
   744 CA   ARG     96      0.0145     36.1747     29.3700
   755 CA   LEU     97      0.0207     37.3833     26.0000
   763 CA   GLY     98      0.0232     37.8928     20.2000
   767 CA   GLY     99      0.0260     38.4282     26.3800
   771 CA   MET    100      0.0255     38.3322     35.0500
   779 CA   VAL    101      0.0331     39.8398     42.1400
   786 CA   TRP    102      0.0352     40.2590     40.4400
   800 CA   ARG    103      0.0361     40.4238     52.1800
   811 CA   ALA    104      0.0332     39.8618     54.0800
   816 CA   ASP    105      0.0366     40.5270     56.0200
   824 CA   THR    106      0.0446     42.1096     74.4200
   831 CA   TYR    107      0.0673     46.5922     93.3100
   843 CA   SER    108      0.1129     55.5936    102.9400
   849 CA   ASN    109      0.2079     74.3528    112.5500
   857 CA   VAL    110      0.4000    112.2686    103.7700
   864 CA   TYR    111      0.2800     88.5891     92.5200
   876 CA   GLY    112      0.1678     66.4201     77.5800
   880 CA   LYS    113      0.1111     55.2294     65.8900
   889 CA   ASN    114      0.0919     51.4548     60.9200
   897 CA   HIS    115      0.0635     45.8381     67.4200
   907 CA   ASP    116      0.0686     46.8367     65.8000
   915 CA   THR    117      0.0636     45.8519     57.9000
   922 CA   GLY    118      0.0560     44.3543     45.0900
   926 CA   VAL    119      0.0447     42.1374     41.3500
   933 CA   SER    120      0.0296     39.1438     44.5000
   939 CA   PRO    121      0.0286     38.9431     43.2700
   946 CA   VAL    122      0.0212     37.4806     38.7300
   953 CA   PHE    123      0.0207     37.3860     31.4500
   964 CA   ALA    124      0.0178     36.8166     25.8300
   969 CA   GLY    125      0.0186     36.9753     33.9200
   973 CA   GLY    126      0.0182     36.9036     26.0400
   977 CA   VAL    127      0.0187     36.9999     30.4300
   984 CA   GLU    128      0.0139     36.0409     30.6700
   993 CA   TYR    129      0.0249     38.2148     39.3700
  1005 CA   ALA    130      0.0264     38.5099     43.2000
  1010 CA   ILE    131      0.0509     43.3464     50.9700
  1018 CA   THR    132      0.0634     45.8102     41.5100
  1025 CA   PRO    133      0.0514     43.4584     53.5300
  1032 CA   GLU    134      0.0434     41.8685     45.1900
  1041 CA   ILE    135      0.0316     39.5392     35.0700
  1049 CA   ALA    136      0.0191     37.0824     32.2800
  1054 CA   THR    137      0.0212     37.4800     33.7800
  1061 CA   ARG    138      0.0139     36.0433     26.5200
  1072 CA   LEU    139      0.0194     37.1312     23.5000
  1080 CA   GLU    140      0.0166     36.5766     26.8100
  1089 CA   TYR    141      0.0204     37.3312     28.9000
  1101 CA   GLN    142      0.0176     36.7877     30.4500
  1110 CA   TRP    143      0.0227     37.7800     42.4500
  1124 CA   THR    144      0.0258     38.4049     69.8900
  1131 CA   ASN    145      0.0399     41.1815     98.9500
  1139 CA   ASN    146      0.0442     42.0282    120.8800
  1147 CA   ILE    147      0.1117     55.3514     20.0000
  1155 CA   GLY    148      0.2099     74.7348     20.0000
  1159 CA   ASP    149      0.3850    109.3055     20.0000
  1167 CA   ALA    150      0.6302    157.7110     20.0000
  1172 CA   HIS    151      1.3163    293.1529     20.0000
  1182 CA   THR    152      1.3295    295.7663     20.0000
  1189 CA   ILE    153      0.6524    162.0874     20.0000
  1197 CA   GLY    154      0.2583     84.2992     20.0000
  1201 CA   THR    155      0.3064     93.7920     20.0000
  1208 CA   ARG    156      0.1170     56.4014     20.0000
  1219 CA   PRO    157      0.0735     47.8141     20.0000
  1226 CA   ASP    158      0.0343     40.0780    134.9000
  1234 CA   ASN    159      0.0298     39.1785    101.4100
  1242 CA   GLY    160      0.0249     38.2275     68.2600
  1246 CA   MET    161      0.0209     37.4393     43.9800
  1254 CA   LEU    162      0.0226     37.7701     32.6400
  1262 CA   SER    163      0.0203     37.3094     27.7000
  1268 CA   LEU    164      0.0224     37.7327     27.6000
  1276 CA   GLY    165      0.0201     37.2649     23.1300
  1280 CA   VAL    166      0.0205     37.3533     25.3300
  1287 CA   SER    167      0.0182     36.9049     37.4000
  1293 CA   TYR    168      0.0291     39.0408     37.8400
  1305 CA   ARG    169      0.0260     38.4285     40.6000
  1316 CA   PHE    170      0.0466     42.4990     49.6200
  1327 CA   GLY    171      0.0648     46.0996     67.0500

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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.