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***  TRANSFERASE/RNA 05-DEC-14 4RWN  ***

B-factor analysis for ID 22091916111152699

Overall B-factor prediction

Correlation= 0.792 for 350 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      1      0.0674     52.7515     51.5900
    10 CA   GLU      2      0.0481     44.1078     39.7000
    19 CA   LEU      3      0.0203     31.5727     32.0700
    27 CA   ARG      4      0.0247     33.5848     34.9100
    38 CA   HIS      5      0.0350     38.2148     38.2300
    48 CA   THR      6      0.0247     33.5879     29.8500
    55 CA   PRO      7      0.0241     33.3031     29.7300
    62 CA   ALA      8      0.0196     31.2681     32.0900
    67 CA   ARG      9      0.0390     40.0119     28.6800
    78 CA   ASP     10      0.0293     35.6356     25.2200
    86 CA   LEU     11      0.0143     28.8919     25.5300
    94 CA   ASP     12      0.0178     30.4657     30.9000
   102 CA   LYS     13      0.0313     36.5519     26.8800
   111 CA   PHE     14      0.0208     31.8168     26.9100
   122 CA   ILE     15      0.0147     29.0916     25.4300
   130 CA   GLU     16      0.0282     35.1383     29.5700
   139 CA   ASP     17      0.0347     38.0549     27.1900
   147 CA   HIS     18      0.0255     33.9454     26.4300
   157 CA   LEU     19      0.0156     29.4686     27.7800
   165 CA   LEU     20      0.0194     31.1731     25.8600
   173 CA   PRO     21      0.0255     33.9225     27.1300
   180 CA   ASN     22      0.0385     39.7651     32.0000
   188 CA   THR     23      0.0657     51.9910     38.1500
   195 CA   CYS     24      0.0551     47.2198     36.3800
   201 CA   PHE     25      0.0275     34.8388     38.2200
   212 CA   ARG     26      0.0307     36.2818     42.7800
   223 CA   THR     27      0.0348     38.0916     37.2800
   230 CA   GLN     28      0.0264     34.3415     35.5800
   239 CA   VAL     29      0.0175     30.3370     28.9200
   246 CA   LYS     30      0.0232     32.9043     28.4700
   255 CA   GLU     31      0.0237     33.1107     33.0100
   264 CA   ALA     32      0.0166     29.9439     32.3700
   269 CA   ILE     33      0.0136     28.5634     38.9800
   277 CA   ASP     34      0.0209     31.8464     39.8900
   285 CA   ILE     35      0.0167     29.9604     38.8600
   293 CA   VAL     36      0.0119     27.7912     33.8200
   300 CA   CYS     37      0.0152     29.2959     36.1800
   306 CA   ARG     38      0.0234     32.9916     33.6200
   317 CA   PHE     39      0.0161     29.7034     31.0300
   328 CA   LEU     40      0.0134     28.5023     31.7800
   336 CA   LYS     41      0.0235     33.0323     38.7000
   345 CA   GLU     42      0.0330     37.3159     39.2600
   354 CA   ARG     43      0.0290     35.4940     35.9700
   365 CA   CYS     44      0.0211     31.9612     35.8200
   371 CA   PHE     45      0.0244     33.4465     52.2900
   382 CA   GLN     46      0.0426     41.6288     64.3100
   391 CA   GLY     47      0.0801     58.4892     74.2000
   395 CA   THR     48      0.0896     62.7514     73.9100
   402 CA   ALA     49      0.2425    131.5154     54.3000
   407 CA   ASP     50      0.1382     84.6015     59.3600
   415 CA   PRO     51      0.0654     51.8876     65.9800
   422 CA   VAL     52      0.0329     37.2715     59.8400
   429 CA   ARG     53      0.0252     33.8151     38.7700
   440 CA   VAL     54      0.0174     30.2908     27.8200
   447 CA   SER     55      0.0156     29.4795     30.3800
   453 CA   LYS     56      0.0140     28.7384     30.8600
   462 CA   VAL     57      0.0090     26.5183     26.5200
   469 CA   VAL     58      0.0091     26.5578     29.1900
   476 CA   LYS     59      0.0105     27.2000     18.6500
   485 CA   GLY     60      0.0108     27.3102     24.9200
   489 CA   GLY     61      0.0126     28.1136     27.4800
   493 CA   SER     62      0.0130     28.2911     22.2000
   499 CA   SER     63      0.0130     28.3134     29.1600
   505 CA   GLY     64      0.0123     27.9980     23.7000
   509 CA   LYS     65      0.0107     27.2904     26.1700
   518 CA   GLY     66      0.0126     28.1199     28.3100
   522 CA   THR     67      0.0109     27.3514     28.4500
   529 CA   THR     68      0.0130     28.3073     25.4800
   536 CA   LEU     69      0.0140     28.7415     23.9900
   544 CA   ARG     70      0.0197     31.3015     28.0600
   555 CA   GLY     71      0.0228     32.7328     34.1400
   559 CA   ARG     72      0.0205     31.6909     28.6900
   570 CA   SER     73      0.0153     29.3556     27.8500
   576 CA   ASP     74      0.0142     28.8675     28.7800
   584 CA   ALA     75      0.0118     27.7728     29.3300
   589 CA   ASP     76      0.0122     27.9532     30.7000
   597 CA   LEU     77      0.0082     26.1506     23.9400
   605 CA   VAL     78      0.0076     25.8815     29.9300
   612 CA   VAL     79      0.0081     26.0920     25.7100
   619 CA   PHE     80      0.0083     26.1760     27.8300
   630 CA   LEU     81      0.0128     28.2182     29.9000
   638 CA   THR     82      0.0203     31.5947     42.7400
   645 CA   LYS     83      0.0221     32.4029     42.1800
   654 CA   LEU     84      0.0160     29.6609     33.8100
   662 CA   THR     85      0.0201     31.4851     39.3600
   669 CA   SER     86      0.0168     30.0366     38.4900
   675 CA   PHE     87      0.0127     28.1875     36.0700
   686 CA   GLU     88      0.0191     31.0572     35.7700
   695 CA   ASP     89      0.0186     30.8073     34.4400
   703 CA   GLN     90      0.0130     28.3135     31.5900
   712 CA   LEU     91      0.0175     30.3189     33.7900
   720 CA   ARG     92      0.0254     33.8968     35.9600
   731 CA   ARG     93      0.0202     31.5377     37.9700
   742 CA   ARG     94      0.0156     29.4909     38.2100
   753 CA   GLY     95      0.0242     33.3546     33.7400
   757 CA   GLU     96      0.0263     34.2722     46.5700
   766 CA   PHE     97      0.0159     29.6120     35.5900
   777 CA   ILE     98      0.0167     29.9790     37.9000
   785 CA   GLN     99      0.0259     34.1142     46.9000
   794 CA   GLU    100      0.0223     32.4688     46.9200
   803 CA   ILE    101      0.0156     29.4703     42.5400
   811 CA   ARG    102      0.0204     31.6494     41.0100
   822 CA   ARG    103      0.0293     35.6556     41.0000
   833 CA   GLN    104      0.0240     33.2378     36.4500
   842 CA   LEU    105      0.0205     31.7009     40.8600
   850 CA   GLU    106      0.0321     36.9171     49.1400
   859 CA   ALA    107      0.0408     40.7968     39.9900
   864 CA   CYS    108      0.0341     37.8057     45.5500
   870 CA   GLN    109      0.0395     40.2402     53.0200
   879 CA   ARG    110      0.0641     51.2941     55.0700
   890 CA   GLU    111      0.0729     55.2528     41.6400
   899 CA   GLN    112      0.0779     57.5082     50.4700
   908 CA   LYS    113      0.0459     43.1119     47.9900
   917 CA   PHE    114      0.0343     37.8881     42.1700
   928 CA   LYS    115      0.0338     37.6707     46.2300
   937 CA   VAL    116      0.0281     35.1007     40.3300
   944 CA   THR    117      0.0350     38.2064     49.8900
   951 CA   PHE    118      0.0356     38.4681     47.7600
   962 CA   GLU    119      0.0587     48.8795     69.6200
   971 CA   VAL    120      0.1118     72.7431     98.6500
   978 CA   GLN    121      0.1234     77.9418    106.9400
   987 CA   ALA    122      0.2228    122.6504    122.2800
   992 CA   PRO    123      0.2247    123.4876    123.7800
   999 CA   ARG    124      0.1879    106.9427    108.6700
  1010 CA   TRP    125      0.1268     79.4930    103.6500
  1024 CA   GLY    126      0.1759    101.5778     93.2200
  1028 CA   ASN    127      0.0374     39.2848     65.8700
  1036 CA   PRO    128      0.0323     36.9723     62.0200
  1043 CA   ARG    129      0.0160     29.6450     41.7800
  1054 CA   ALA    130      0.0176     30.3769     42.7500
  1059 CA   LEU    131      0.0171     30.1355     34.8600
  1067 CA   SER    132      0.0204     31.6580     34.5200
  1073 CA   PHE    133      0.0212     31.9850     40.5000
  1084 CA   VAL    134      0.0232     32.9117     33.0700
  1091 CA   LEU    135      0.0213     32.0415     38.0300
  1099 CA   SER    136      0.0291     35.5693     43.3200
  1105 CA   SER    137      0.0362     38.7430     44.3100
  1111 CA   PRO    138      0.0730     55.2756     60.2500
  1118 CA   GLN    139      0.0613     50.0149     62.1100
  1127 CA   LEU    140      0.0378     39.4800     56.9200
  1135 CA   GLN    141      0.0574     48.2802     56.5000
  1144 CA   GLN    142      0.0444     42.4462     53.2400
  1153 CA   GLU    143      0.0293     35.6302     39.1400
  1162 CA   VAL    144      0.0204     31.6463     29.6700
  1169 CA   GLU    145      0.0163     29.8086     36.7600
  1178 CA   PHE    146      0.0133     28.4286     28.8300
  1189 CA   ASP    147      0.0136     28.5835     30.9000
  1197 CA   VAL    148      0.0099     26.9325     30.6000
  1204 CA   LEU    149      0.0098     26.8478     32.7300
  1212 CA   PRO    150      0.0089     26.4758     33.8100
  1219 CA   ALA    151      0.0087     26.3826     31.0600
  1224 CA   PHE    152      0.0093     26.6268     34.0900
  1235 CA   ASP    153      0.0105     27.1837     30.3800
  1243 CA   ALA    154      0.0105     27.1752     27.3600
  1248 CA   LEU    155      0.0125     28.0757     26.8400
  1256 CA   GLY    156      0.0183     30.6872     34.0000
  1260 CA   GLN    157      0.0546     47.0338     40.5100
  1269 CA   TRP    158      0.0280     35.0344     45.3500
  1283 CA   THR    159      0.0455     42.9305     55.6800
  1290 CA   PRO    160      0.0437     42.1206     62.1100
  1297 CA   GLY    161      0.0570     48.1163     56.9800
  1301 CA   TYR    162      0.0395     40.2362     39.3000
  1313 CA   LYS    163      0.0186     30.8256     29.5100
  1322 CA   PRO    164      0.0167     29.9735     31.0000
  1329 CA   ASN    165      0.0258     34.0483     25.8700
  1337 CA   PRO    166      0.0171     30.1599     30.1100
  1344 CA   GLU    167      0.0226     32.6240     30.8000
  1353 CA   ILE    168      0.0149     29.1441     29.7500
  1361 CA   TYR    169      0.0100     26.9694     27.9800
  1373 CA   VAL    170      0.0151     29.2439     32.6900
  1380 CA   GLN    171      0.0154     29.4010     30.3400
  1389 CA   LEU    172      0.0110     27.4226     26.7400
  1397 CA   ILE    173      0.0146     29.0265     24.5600
  1405 CA   LYS    174      0.0265     34.3645     29.0700
  1414 CA   GLU    175      0.0192     31.1128     34.4400
  1423 CA   CYS    176      0.0197     31.3299     35.0700
  1429 CA   LYS    177      0.0442     42.3391     41.9300
  1438 CA   SER    178      0.0501     44.9784     34.8400
  1444 CA   ARG    179      0.0412     41.0059     35.6200
  1455 CA   GLY    180      0.0494     44.6582     36.7400
  1459 CA   LYS    181      0.0211     31.9638     47.1900
  1468 CA   GLU    182      0.0162     29.7490     40.4900
  1477 CA   GLY    183      0.0148     29.1003     34.9200
  1481 CA   GLU    184      0.0143     28.9133     36.9300
  1490 CA   PHE    185      0.0092     26.5984     30.4000
  1501 CA   SER    186      0.0089     26.4800     26.3700
  1507 CA   THR    187      0.0082     26.1622     28.0300
  1514 CA   CYS    188      0.0072     25.7145     27.2100
  1520 CA   PHE    189      0.0060     25.1399     25.1500
  1531 CA   THR    190      0.0072     25.7024     28.0100
  1538 CA   GLU    191      0.0082     26.1310     23.4400
  1547 CA   LEU    192      0.0079     26.0040     19.8900
  1555 CA   GLN    193      0.0077     25.9458     24.1600
  1564 CA   ARG    194      0.0087     26.3765     24.7500
  1565 CA   ARG    194      0.0087     26.3770     24.7100
  1583 CA   ASP    195      0.0101     27.0258     27.8800
  1591 CA   PHE    196      0.0085     26.3019     25.8500
  1602 CA   LEU    197      0.0088     26.4166     26.7600
  1610 CA   ARG    198      0.0114     27.5749     26.3500
  1621 CA   ASN    199      0.0205     31.6585     29.8600
  1629 CA   ARG    200      0.0151     29.2452     24.5000
  1640 CA   PRO    201      0.0200     31.4760     23.0700
  1647 CA   THR    202      0.0215     32.1374     22.3600
  1654 CA   LYS    203      0.0146     29.0407     25.0800
  1663 CA   LEU    204      0.0100     26.9480     20.1100
  1671 CA   LYS    205      0.0091     26.5750     21.2400
  1680 CA   SER    206      0.0096     26.7658     24.2700
  1686 CA   LEU    207      0.0062     25.2636     20.1500
  1694 CA   ILE    208      0.0065     25.3911     22.4100
  1702 CA   ARG    209      0.0083     26.2038     25.3000
  1713 CA   LEU    210      0.0073     25.7330     19.9500
  1721 CA   VAL    211      0.0066     25.4215     25.0500
  1728 CA   LYS    212      0.0087     26.3906     25.6000
  1737 CA   HIS    213      0.0124     28.0393     20.4900
  1747 CA   TRP    214      0.0105     27.1722     17.7600
  1761 CA   TYR    215      0.0137     28.6173     22.9700
  1773 CA   GLN    216      0.0197     31.3041     25.3800
  1782 CA   THR    217      0.0235     33.0354     31.5100
  1789 CA   CYS    218      0.0243     33.3752     30.8600
  1795 CA   LYS    219      0.0379     39.5160     40.0900
  1804 CA   LYS    220      0.0576     48.3597     48.9800
  1813 CA   THR    221      0.0569     48.0593     41.8400
  1820 CA   HIS    222      0.0505     45.1871     43.8300
  1830 CA   GLY    223      0.0696     53.7519     41.6600
  1834 CA   ASN    224      0.0742     55.8282     43.4300
  1842 CA   LYS    225      0.0507     45.2402     39.8700
  1851 CA   LEU    226      0.0310     36.4110     28.4500
  1859 CA   PRO    227      0.0198     31.3543     20.7900
  1866 CA   PRO    228      0.0189     30.9612     24.5100
  1873 CA   GLN    229      0.0118     27.7599     29.3700
  1882 CA   TYR    230      0.0093     26.6243     23.1600
  1894 CA   ALA    231      0.0092     26.6047     23.6500
  1899 CA   LEU    232      0.0072     25.6963     24.0300
  1907 CA   GLU    233      0.0063     25.2990     23.6600
  1916 CA   LEU    234      0.0059     25.1169     18.5700
  1924 CA   LEU    235      0.0060     25.1684     22.5900
  1932 CA   THR    236      0.0052     24.7892     24.6200
  1939 CA   VAL    237      0.0073     25.7490     22.6500
  1946 CA   TYR    238      0.0073     25.7415     27.2300
  1958 CA   ALA    239      0.0092     26.5933     24.4100
  1963 CA   TRP    240      0.0095     26.7383     27.3000
  1977 CA   GLU    241      0.0139     28.7270     24.1800
  1986 CA   GLN    242      0.0173     30.2277     28.2400
  1995 CA   GLY    243      0.0183     30.6750     31.0700
  1999 CA   SER    244      0.0200     31.4582     31.1000
  2005 CA   ARG    245      0.0264     34.3225     28.6900
  2016 CA   LYS    246      0.0368     39.0131     31.4300
  2025 CA   THR    247      0.0367     38.9494     34.6000
  2032 CA   ASP    248      0.0450     42.7015     35.5900
  2040 CA   PHE    249      0.0202     31.5368     27.4200
  2051 CA   SER    250      0.0181     30.5977     24.9700
  2057 CA   THR    251      0.0107     27.2593     26.2000
  2064 CA   ALA    252      0.0107     27.2679     23.8300
  2069 CA   GLN    253      0.0127     28.1563     23.3700
  2078 CA   GLY    254      0.0091     26.5470     23.6700
  2082 CA   PHE    255      0.0072     25.7072     18.5400
  2093 CA   GLN    256      0.0095     26.7223     23.1900
  2102 CA   THR    257      0.0094     26.7011     25.6500
  2109 CA   VAL    258      0.0075     25.8494     24.0400
  2116 CA   LEU    259      0.0103     27.0873     27.8500
  2124 CA   GLU    260      0.0134     28.4792     26.7800
  2133 CA   LEU    261      0.0108     27.3248     23.8500
  2141 CA   VAL    262      0.0121     27.9241     25.6500
  2148 CA   LEU    263      0.0184     30.7357     28.1700
  2156 CA   LYS    264      0.0208     31.8038     26.0200
  2165 CA   HIS    265      0.0174     30.2703     32.8800
  2175 CA   GLN    266      0.0260     34.1541     35.6000
  2184 CA   LYS    267      0.0336     37.5767     35.0000
  2193 CA   LEU    268      0.0175     30.3504     25.8900
  2201 CA   CYS    269      0.0122     27.9568     29.6400
  2207 CA   ILE    270      0.0097     26.8414     24.0900
  2215 CA   PHE    271      0.0090     26.5246     28.2300
  2226 CA   TRP    272      0.0084     26.2324     26.6600
  2240 CA   GLU    273      0.0117     27.7444     30.6400
  2249 CA   ALA    274      0.0122     27.9693     23.7500
  2254 CA   TYR    275      0.0092     26.5838     28.5400
  2266 CA   TYR    276      0.0096     26.7887     29.0300
  2278 CA   ASP    277      0.0184     30.7449     36.1700
  2286 CA   PHE    278      0.0229     32.7672     38.3100
  2297 CA   THR    279      0.0442     42.3600     47.1700
  2304 CA   ASN    280      0.0332     37.3879     35.5300
  2312 CA   PRO    281      0.0397     40.2969     41.5600
  2319 CA   VAL    282      0.0286     35.3250     35.5400
  2326 CA   VAL    283      0.0152     29.3131     24.1400
  2333 CA   GLY    284      0.0196     31.2637     31.4900
  2337 CA   ARG    285      0.0280     35.0315     36.4500
  2348 CA   CYS    286      0.0186     30.8304     31.5500
  2354 CA   MET    287      0.0142     28.8649     29.1800
  2362 CA   LEU    288      0.0219     32.3279     33.9000
  2370 CA   GLN    289      0.0226     32.6284     34.9100
  2379 CA   GLN    290      0.0154     29.3971     32.1000
  2388 CA   LEU    291      0.0177     30.4185     30.4100
  2396 CA   LYS    292      0.0335     37.5129     33.9800
  2405 CA   LYS    293      0.0236     33.0909     29.2900
  2414 CA   PRO    294      0.0304     36.1188     28.8100
  2421 CA   ARG    295      0.0208     31.8156     26.2700
  2432 CA   PRO    296      0.0164     29.8158     25.3300
  2439 CA   VAL    297      0.0121     27.8846     26.9000
  2446 CA   ILE    298      0.0096     26.7662     22.7500
  2454 CA   LEU    299      0.0081     26.1135     25.6500
  2462 CA   ASP    300      0.0075     25.8362     26.6400
  2470 CA   PRO    301      0.0069     25.5483     20.1200
  2477 CA   ALA    302      0.0063     25.2982     24.8500
  2482 CA   ASP    303      0.0069     25.5714     25.0500
  2490 CA   PRO    304      0.0076     25.8740     23.9700
  2497 CA   THR    305      0.0090     26.5101     25.0900
  2504 CA   GLY    306      0.0101     26.9958     25.2200
  2508 CA   ASN    307      0.0118     27.7847     30.7300
  2516 CA   VAL    308      0.0117     27.7189     27.0300
  2523 CA   GLY    309      0.0140     28.7675     30.0600
  2527 CA   GLY    310      0.0248     33.6337     32.3100
  2531 CA   GLY    311      0.0351     38.2510     34.6200
  2535 CA   ASP    312      0.0375     39.3226     31.1900
  2543 CA   THR    313      0.0389     39.9631     29.4800
  2550 CA   HIS    314      0.0508     45.2980     33.4600
  2560 CA   SER    315      0.0308     36.3265     33.1700
  2566 CA   TRP    316      0.0220     32.3440     28.9300
  2580 CA   GLN    317      0.0344     37.9380     27.0000
  2589 CA   ARG    318      0.0329     37.2776     30.1400
  2600 CA   LEU    319      0.0198     31.3856     30.1300
  2608 CA   ALA    320      0.0204     31.6460     26.2700
  2613 CA   GLN    321      0.0297     35.8123     37.0300
  2622 CA   GLU    322      0.0232     32.8757     32.9400
  2631 CA   ALA    323      0.0165     29.9008     33.8600
  2636 CA   ARG    324      0.0279     35.0120     34.3400
  2647 CA   VAL    325      0.0273     34.7208     33.7100
  2654 CA   TRP    326      0.0188     30.9206     26.9100
  2668 CA   LEU    327      0.0195     31.2275     34.5300
  2676 CA   GLY    328      0.0277     34.9232     33.4800
  2680 CA   TYR    329      0.0253     33.8305     28.9800
  2692 CA   PRO    330      0.0241     33.3123     32.0400
  2699 CA   CYS    331      0.0151     29.2484     29.0600
  2705 CA   CYS    332      0.0156     29.4843     29.2200
  2711 CA   LYS    333      0.0295     35.7098     36.8600
  2720 CA   ASN    334      0.0436     42.0797     26.9000
  2728 CA   LEU    335      0.1310     81.3532     36.4600
  2736 CA   ASP    336      0.1621     95.3421     43.7000
  2744 CA   GLY    337      0.0932     64.3940     38.5600
  2748 CA   SER    338      0.0785     57.7688     30.9400
  2754 CA   LEU    339      0.0335     37.5476     32.4100
  2762 CA   VAL    340      0.0295     35.7469     31.3300
  2769 CA   GLY    341      0.0248     33.6037     26.7100
  2773 CA   ALA    342      0.0179     30.5153     31.3000
  2778 CA   TRP    343      0.0226     32.6041     36.2500
  2792 CA   THR    344      0.0435     42.0258     49.8600
  2799 CA   MET    345      0.0317     36.7117     42.7000
  2807 CA   LEU    346      0.0462     43.2415     60.9200
  2815 CA   GLN    347      0.1111     72.4405     74.1500
  2824 CA   LYS    348      0.0616     50.1659     72.2700
  2833 CA   ILE    349      0.2484    134.1666     86.1900

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.