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

B-factor analysis for ID 22083111085091848

Overall B-factor prediction

Correlation= 0.811 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      0.0669     51.2125     51.5900
    10 CA   GLU      2      0.0478     43.2099     39.7000
    19 CA   LEU      3      0.0200     31.5836     32.0700
    27 CA   ARG      4      0.0243     33.3811     34.9100
    38 CA   HIS      5      0.0345     37.6571     38.2300
    48 CA   THR      6      0.0244     33.4328     29.8500
    55 CA   PRO      7      0.0237     33.1269     29.7300
    62 CA   ALA      8      0.0193     31.2806     32.0900
    67 CA   ARG      9      0.0387     39.4249     28.6800
    78 CA   ASP     10      0.0291     35.4025     25.2200
    86 CA   LEU     11      0.0142     29.1620     25.5300
    94 CA   ASP     12      0.0178     30.6525     30.9000
   102 CA   LYS     13      0.0313     36.3241     26.8800
   111 CA   PHE     14      0.0207     31.8983     26.9100
   122 CA   ILE     15      0.0148     29.4309     25.4300
   130 CA   GLU     16      0.0284     35.0873     29.5700
   139 CA   ASP     17      0.0348     37.7727     27.1900
   147 CA   HIS     18      0.0256     33.9286     26.4300
   157 CA   LEU     19      0.0157     29.7764     27.7800
   165 CA   LEU     20      0.0194     31.3409     25.8600
   173 CA   PRO     21      0.0253     33.8160     27.1300
   180 CA   ASN     22      0.0380     39.1312     32.0000
   188 CA   THR     23      0.0652     50.5201     38.1500
   195 CA   CYS     24      0.0542     45.9233     36.3800
   201 CA   PHE     25      0.0273     34.6602     38.2200
   212 CA   ARG     26      0.0306     36.0339     42.7800
   223 CA   THR     27      0.0344     37.6347     37.2800
   230 CA   GLN     28      0.0262     34.1862     35.5800
   239 CA   VAL     29      0.0174     30.4958     28.9200
   246 CA   LYS     30      0.0230     32.8655     28.4700
   255 CA   GLU     31      0.0236     33.0912     33.0100
   264 CA   ALA     32      0.0166     30.1714     32.3700
   269 CA   ILE     33      0.0136     28.9038     38.9800
   277 CA   ASP     34      0.0209     31.9587     39.8900
   285 CA   ILE     35      0.0167     30.2071     38.8600
   293 CA   VAL     36      0.0119     28.1936     33.8200
   300 CA   CYS     37      0.0151     29.5204     36.1800
   306 CA   ARG     38      0.0233     32.9905     33.6200
   317 CA   PHE     39      0.0161     29.9617     31.0300
   328 CA   LEU     40      0.0134     28.8201     31.7800
   336 CA   LYS     41      0.0233     32.9713     38.7000
   345 CA   GLU     42      0.0329     36.9946     39.2600
   354 CA   ARG     43      0.0289     35.3184     35.9700
   365 CA   CYS     44      0.0210     32.0231     35.8200
   371 CA   PHE     45      0.0242     33.3388     52.2900
   382 CA   GLN     46      0.0423     40.9270     64.3100
   391 CA   GLY     47      0.0796     56.5447     74.2000
   395 CA   THR     48      0.0887     60.3353     73.9100
   402 CA   ALA     49      0.2414    124.2331     54.3000
   407 CA   ASP     50      0.1372     80.6477     59.3600
   415 CA   PRO     51      0.0647     50.2923     65.9800
   422 CA   VAL     52      0.0323     36.7561     59.8400
   429 CA   ARG     53      0.0248     33.5905     38.7700
   440 CA   VAL     54      0.0172     30.4090     27.8200
   447 CA   SER     55      0.0155     29.6958     30.3800
   453 CA   LYS     56      0.0139     29.0451     30.8600
   462 CA   VAL     57      0.0091     27.0103     26.5200
   469 CA   VAL     58      0.0091     27.0408     29.1900
   476 CA   LYS     59      0.0105     27.6328     18.6500
   485 CA   GLY     60      0.0108     27.7440     24.9200
   489 CA   GLY     61      0.0126     28.4809     27.4800
   493 CA   SER     62      0.0129     28.6374     22.2000
   499 CA   SER     63      0.0130     28.6471     29.1600
   505 CA   GLY     64      0.0123     28.3663     23.7000
   509 CA   LYS     65      0.0107     27.7078     26.1700
   518 CA   GLY     66      0.0126     28.4851     28.3100
   522 CA   THR     67      0.0109     27.7777     28.4500
   529 CA   THR     68      0.0130     28.6446     25.4800
   536 CA   LEU     69      0.0140     29.0750     23.9900
   544 CA   ARG     70      0.0197     31.4718     28.0600
   555 CA   GLY     71      0.0229     32.7964     34.1400
   559 CA   ARG     72      0.0204     31.7659     28.6900
   570 CA   SER     73      0.0153     29.6136     27.8500
   576 CA   ASP     74      0.0143     29.1946     28.7800
   584 CA   ALA     75      0.0118     28.1622     29.3300
   589 CA   ASP     76      0.0123     28.3539     30.7000
   597 CA   LEU     77      0.0083     26.6785     23.9400
   605 CA   VAL     78      0.0077     26.4264     29.9300
   612 CA   VAL     79      0.0081     26.6112     25.7100
   619 CA   PHE     80      0.0082     26.6677     27.8300
   630 CA   LEU     81      0.0126     28.5090     29.9000
   638 CA   THR     82      0.0200     31.5813     42.7400
   645 CA   LYS     83      0.0216     32.2630     42.1800
   654 CA   LEU     84      0.0156     29.7656     33.8100
   662 CA   THR     85      0.0196     31.4406     39.3600
   669 CA   SER     86      0.0166     30.1673     38.4900
   675 CA   PHE     87      0.0126     28.4970     36.0700
   686 CA   GLU     88      0.0189     31.1235     35.7700
   695 CA   ASP     89      0.0182     30.8405     34.4400
   703 CA   GLN     90      0.0127     28.5519     31.5900
   712 CA   LEU     91      0.0171     30.3627     33.7900
   720 CA   ARG     92      0.0248     33.5985     35.9600
   731 CA   ARG     93      0.0196     31.4182     37.9700
   742 CA   ARG     94      0.0152     29.5831     38.2100
   753 CA   GLY     95      0.0235     33.0482     33.7400
   757 CA   GLU     96      0.0255     33.9043     46.5700
   766 CA   PHE     97      0.0156     29.7500     35.5900
   777 CA   ILE     98      0.0164     30.1039     37.9000
   785 CA   GLN     99      0.0253     33.8138     46.9000
   794 CA   GLU    100      0.0218     32.3383     46.9200
   803 CA   ILE    101      0.0155     29.7058     42.5400
   811 CA   ARG    102      0.0204     31.7460     41.0100
   822 CA   ARG    103      0.0289     35.3125     41.0000
   833 CA   GLN    104      0.0239     33.2072     36.4500
   842 CA   LEU    105      0.0206     31.8516     40.8600
   850 CA   GLU    106      0.0322     36.7014     49.1400
   859 CA   ALA    107      0.0409     40.3474     39.9900
   864 CA   CYS    108      0.0343     37.5903     45.5500
   870 CA   GLN    109      0.0399     39.8996     53.0200
   879 CA   ARG    110      0.0647     50.2794     55.0700
   890 CA   GLU    111      0.0732     53.8707     41.6400
   899 CA   GLN    112      0.0781     55.8936     50.4700
   908 CA   LYS    113      0.0461     42.5252     47.9900
   917 CA   PHE    114      0.0344     37.6375     42.1700
   928 CA   LYS    115      0.0343     37.5713     46.2300
   937 CA   VAL    116      0.0284     35.1122     40.3300
   944 CA   THR    117      0.0359     38.2249     49.8900
   951 CA   PHE    118      0.0371     38.7449     47.7600
   962 CA   ALA    119      0.0887     60.3458     69.6200
   967 CA   VAL    120      0.1927    103.8550     98.6500
   974 CA   GLN    121      0.1706     94.6343    106.9400
   983 CA   SER    122      0.2966    147.3399    122.2800
   989 CA   PRO    123      0.2542    129.6026    123.7800
   996 CA   ARG    124      0.1765     97.0835    108.6700
  1007 CA   ARG    125      0.1165     71.9730    103.6500
  1018 CA   GLU    126      0.1195     73.2199     93.2200
  1027 CA   ASN    127      0.0371     38.7658     65.8700
  1035 CA   PRO    128      0.0325     36.8346     62.0200
  1042 CA   ARG    129      0.0157     29.7842     41.7800
  1053 CA   ALA    130      0.0179     30.7110     42.7500
  1058 CA   LEU    131      0.0172     30.4179     34.8600
  1066 CA   SER    132      0.0211     32.0326     34.5200
  1072 CA   PHE    133      0.0213     32.1385     40.5000
  1083 CA   VAL    134      0.0232     32.9492     33.0700
  1090 CA   LEU    135      0.0215     32.2233     38.0300
  1098 CA   SER    136      0.0293     35.5043     43.3200
  1104 CA   SER    137      0.0362     38.3638     44.3100
  1110 CA   PRO    138      0.0730     53.7587     60.2500
  1117 CA   GLN    139      0.0609     48.7063     62.1100
  1126 CA   LEU    140      0.0377     39.0041     56.9200
  1134 CA   GLN    141      0.0570     47.0939     56.5000
  1143 CA   GLN    142      0.0441     41.6877     53.2400
  1152 CA   GLU    143      0.0294     35.5342     39.1400
  1161 CA   VAL    144      0.0205     31.8197     29.6700
  1168 CA   GLU    145      0.0161     29.9587     36.7600
  1177 CA   PHE    146      0.0133     28.7711     28.8300
  1188 CA   ASP    147      0.0135     28.8905     30.9000
  1196 CA   VAL    148      0.0100     27.4201     30.6000
  1203 CA   LEU    149      0.0098     27.3404     32.7300
  1211 CA   PRO    150      0.0089     26.9559     33.8100
  1218 CA   ALA    151      0.0086     26.8193     31.0600
  1223 CA   PHE    152      0.0091     27.0445     34.0900
  1234 CA   ASP    153      0.0104     27.5549     30.3800
  1242 CA   ALA    154      0.0104     27.5645     27.3600
  1247 CA   LEU    155      0.0124     28.4038     26.8400
  1255 CA   GLY    156      0.0181     30.8057     34.0000
  1259 CA   GLN    157      0.0546     46.0514     40.5100
  1268 CA   TRP    158      0.0279     34.9025     45.3500
  1282 CA   THR    159      0.0455     42.2543     55.6800
  1289 CA   PRO    160      0.0436     41.4804     62.1100
  1296 CA   GLY    161      0.0570     47.0747     56.9800
  1300 CA   TYR    162      0.0395     39.7408     39.3000
  1312 CA   LYS    163      0.0185     30.9701     29.5100
  1321 CA   PRO    164      0.0166     30.1789     31.0000
  1328 CA   ASN    165      0.0257     33.9604     25.8700
  1336 CA   PRO    166      0.0170     30.3510     30.1100
  1343 CA   GLU    167      0.0225     32.6260     30.8000
  1352 CA   ILE    168      0.0148     29.4127     29.7500
  1360 CA   TYR    169      0.0099     27.3852     27.9800
  1372 CA   VAL    170      0.0150     29.4856     32.6900
  1379 CA   GLN    171      0.0153     29.6039     30.3400
  1388 CA   LEU    172      0.0109     27.8036     26.7400
  1396 CA   ILE    173      0.0143     29.1965     24.5600
  1404 CA   LYS    174      0.0260     34.0999     29.0700
  1413 CA   GLU    175      0.0190     31.1872     34.4400
  1422 CA   CYS    176      0.0195     31.3808     35.0700
  1428 CA   LYS    177      0.0439     41.5951     41.9300
  1437 CA   SER    178      0.0496     43.9903     34.8400
  1443 CA   ARG    179      0.0408     40.2908     35.6200
  1454 CA   GLY    180      0.0488     43.6277     36.7400
  1458 CA   LYS    181      0.0207     31.8943     47.1900
  1467 CA   GLU    182      0.0160     29.9329     40.4900
  1476 CA   GLY    183      0.0146     29.3116     34.9200
  1480 CA   GLU    184      0.0141     29.1137     36.9300
  1489 CA   PHE    185      0.0091     27.0261     30.4000
  1500 CA   SER    186      0.0088     26.9087     26.3700
  1506 CA   THR    187      0.0081     26.6310     28.0300
  1513 CA   CYS    188      0.0072     26.2276     27.2100
  1519 CA   PHE    189      0.0059     25.7031     25.1500
  1530 CA   THR    190      0.0072     26.2245     28.0100
  1537 CA   GLU    191      0.0081     26.6200     23.4400
  1546 CA   LEU    192      0.0078     26.4986     19.8900
  1554 CA   GLN    193      0.0077     26.4379     24.1600
  1563 CA   ARG    194      0.0087     26.8468     24.7500
  1564 CA   ARG    194      0.0087     26.8474     24.7100
  1582 CA   ASP    195      0.0101     27.4501     27.8800
  1590 CA   PHE    196      0.0085     26.7788     25.8500
  1601 CA   LEU    197      0.0088     26.8938     26.7600
  1609 CA   ARG    198      0.0113     27.9645     26.3500
  1620 CA   ASN    199      0.0201     31.6399     29.8600
  1628 CA   ARG    200      0.0150     29.4781     24.5000
  1639 CA   PRO    201      0.0200     31.5744     23.0700
  1646 CA   THR    202      0.0214     32.1776     22.3600
  1653 CA   LYS    203      0.0147     29.3637     25.0800
  1662 CA   LEU    204      0.0100     27.4059     20.1100
  1670 CA   LYS    205      0.0092     27.0581     21.2400
  1679 CA   SER    206      0.0096     27.2417     24.2700
  1685 CA   LEU    207      0.0062     25.8333     20.1500
  1693 CA   ILE    208      0.0065     25.9497     22.4100
  1701 CA   ARG    209      0.0084     26.7176     25.3000
  1712 CA   LEU    210      0.0073     26.2569     19.9500
  1720 CA   VAL    211      0.0065     25.9249     25.0500
  1727 CA   LYS    212      0.0086     26.8350     25.6000
  1736 CA   HIS    213      0.0122     28.3240     20.4900
  1746 CA   TRP    214      0.0102     27.4857     17.7600
  1760 CA   TYR    215      0.0133     28.7950     22.9700
  1772 CA   GLN    216      0.0193     31.2844     25.3800
  1781 CA   THR    217      0.0229     32.8148     31.5100
  1788 CA   CYS    218      0.0235     33.0704     30.8600
  1794 CA   LYS    219      0.0368     38.6157     40.0900
  1803 CA   LYS    220      0.0564     46.8044     48.9800
  1812 CA   THR    221      0.0555     46.4693     41.8400
  1819 CA   HIS    222      0.0494     43.8900     43.8300
  1829 CA   GLY    223      0.0678     51.6042     41.6600
  1833 CA   ASN    224      0.0719     53.3125     43.4300
  1841 CA   LYS    225      0.0498     44.0472     39.8700
  1850 CA   LEU    226      0.0303     35.8905     28.4500
  1858 CA   PRO    227      0.0194     31.3543     20.7900
  1865 CA   PRO    228      0.0185     30.9760     24.5100
  1872 CA   GLN    229      0.0116     28.0938     29.3700
  1881 CA   TYR    230      0.0092     27.0525     23.1600
  1893 CA   ALA    231      0.0091     27.0332     23.6500
  1898 CA   LEU    232      0.0071     26.1976     24.0300
  1906 CA   GLU    233      0.0063     25.8486     23.6600
  1915 CA   LEU    234      0.0059     25.6802     18.5700
  1923 CA   LEU    235      0.0060     25.7296     22.5900
  1931 CA   THR    236      0.0052     25.3832     24.6200
  1938 CA   VAL    237      0.0073     26.2775     22.6500
  1945 CA   TYR    238      0.0073     26.2703     27.2300
  1957 CA   ALA    239      0.0092     27.0629     24.4100
  1962 CA   TRP    240      0.0095     27.2029     27.3000
  1976 CA   GLU    241      0.0139     29.0525     24.1800
  1985 CA   GLN    242      0.0173     30.4488     28.2400
  1994 CA   GLY    243      0.0182     30.8523     31.0700
  1998 CA   SER    244      0.0200     31.5839     31.1000
  2004 CA   ARG    245      0.0264     34.2552     28.6900
  2015 CA   LYS    246      0.0368     38.6129     31.4300
  2024 CA   THR    247      0.0366     38.5416     34.6000
  2031 CA   ASP    248      0.0449     42.0148     35.5900
  2039 CA   PHE    249      0.0201     31.6481     27.4200
  2050 CA   SER    250      0.0180     30.7549     24.9700
  2056 CA   THR    251      0.0106     27.6655     26.2000
  2063 CA   ALA    252      0.0105     27.6313     23.8300
  2068 CA   GLN    253      0.0125     28.4473     23.3700
  2077 CA   GLY    254      0.0090     26.9995     23.6700
  2081 CA   PHE    255      0.0071     26.1939     18.5400
  2092 CA   GLN    256      0.0093     27.1070     23.1900
  2101 CA   THR    257      0.0093     27.1190     25.6500
  2108 CA   VAL    258      0.0074     26.3348     24.0400
  2115 CA   LEU    259      0.0100     27.3966     27.8500
  2123 CA   GLU    260      0.0131     28.6940     26.7800
  2132 CA   LEU    261      0.0107     27.7038     23.8500
  2140 CA   VAL    262      0.0120     28.2375     25.6500
  2147 CA   LEU    263      0.0182     30.8277     28.1700
  2155 CA   LYS    264      0.0207     31.8678     26.0200
  2164 CA   HIS    265      0.0172     30.4052     32.8800
  2174 CA   GLN    266      0.0259     34.0423     35.6000
  2183 CA   LYS    267      0.0336     37.2797     35.0000
  2192 CA   LEU    268      0.0175     30.5601     25.8900
  2200 CA   CYS    269      0.0122     28.3196     29.6400
  2206 CA   ILE    270      0.0097     27.2725     24.0900
  2214 CA   PHE    271      0.0090     26.9701     28.2300
  2225 CA   TRP    272      0.0083     26.7004     26.6600
  2239 CA   GLU    273      0.0117     28.0994     30.6400
  2248 CA   ALA    274      0.0122     28.3129     23.7500
  2253 CA   TYR    275      0.0091     27.0287     28.5400
  2265 CA   TYR    276      0.0095     27.2153     29.0300
  2277 CA   ASP    277      0.0183     30.8604     36.1700
  2285 CA   PHE    278      0.0226     32.6927     38.3100
  2296 CA   THR    279      0.0435     41.4342     47.1700
  2303 CA   ASN    280      0.0330     37.0158     35.5300
  2311 CA   PRO    281      0.0394     39.7136     41.5600
  2318 CA   VAL    282      0.0284     35.1261     35.5400
  2325 CA   VAL    283      0.0151     29.5481     24.1400
  2332 CA   GLY    284      0.0194     31.3459     31.4900
  2336 CA   ARG    285      0.0278     34.8567     36.4500
  2347 CA   CYS    286      0.0185     30.9550     31.5500
  2353 CA   MET    287      0.0141     29.1369     29.1800
  2361 CA   LEU    288      0.0218     32.3475     33.9000
  2369 CA   GLN    289      0.0224     32.6134     34.9100
  2378 CA   GLN    290      0.0152     29.6034     32.1000
  2387 CA   LEU    291      0.0176     30.5871     30.4100
  2395 CA   LYS    292      0.0333     37.1633     33.9800
  2404 CA   LYS    293      0.0235     33.0644     29.2900
  2413 CA   PRO    294      0.0303     35.8831     28.8100
  2420 CA   ARG    295      0.0207     31.9046     26.2700
  2431 CA   PRO    296      0.0163     30.0351     25.3300
  2438 CA   VAL    297      0.0120     28.2425     26.9000
  2445 CA   ILE    298      0.0095     27.1937     22.7500
  2453 CA   LEU    299      0.0080     26.5799     25.6500
  2461 CA   ASP    300      0.0074     26.3243     26.6400
  2469 CA   PRO    301      0.0068     26.0630     20.1200
  2476 CA   ALA    302      0.0063     25.8373     24.8500
  2481 CA   ASP    303      0.0068     26.0751     25.0500
  2489 CA   PRO    304      0.0074     26.3364     23.9700
  2496 CA   THR    305      0.0088     26.8961     25.0900
  2503 CA   GLY    306      0.0099     27.3606     25.2200
  2507 CA   ASN    307      0.0117     28.0991     30.7300
  2515 CA   VAL    308      0.0116     28.0571     27.0300
  2522 CA   GLY    309      0.0139     29.0358     30.0600
  2526 CA   GLY    310      0.0246     33.5078     32.3100
  2530 CA   GLY    311      0.0347     37.7538     34.6200
  2534 CA   ASP    312      0.0372     38.7694     31.1900
  2542 CA   THR    313      0.0386     39.3612     29.4800
  2549 CA   HIS    314      0.0499     44.1228     33.4600
  2559 CA   SER    315      0.0303     35.8994     33.1700
  2565 CA   TRP    316      0.0216     32.2586     28.9300
  2579 CA   GLN    317      0.0339     37.4082     27.0000
  2588 CA   ARG    318      0.0323     36.7532     30.1400
  2599 CA   LEU    319      0.0195     31.3669     30.1300
  2607 CA   ALA    320      0.0201     31.6217     26.2700
  2612 CA   GLN    321      0.0291     35.4026     37.0300
  2621 CA   GLU    322      0.0225     32.6495     32.9400
  2630 CA   ALA    323      0.0160     29.9033     33.8600
  2635 CA   ARG    324      0.0272     34.5908     34.3400
  2646 CA   VAL    325      0.0264     34.2517     33.7100
  2653 CA   TRP    326      0.0181     30.8074     26.9100
  2667 CA   LEU    327      0.0189     31.1412     34.5300
  2675 CA   GLY    328      0.0270     34.5096     33.4800
  2679 CA   TYR    329      0.0247     33.5406     28.9800
  2691 CA   PRO    330      0.0236     33.0861     32.0400
  2698 CA   CYS    331      0.0147     29.3786     29.0600
  2704 CA   CYS    332      0.0152     29.5930     29.2200
  2710 CA   LYS    333      0.0288     35.2653     36.8600
  2719 CA   ASN    334      0.0428     41.1386     26.9000
  2727 CA   LEU    335      0.1302     77.7256     36.4600
  2735 CA   ASP    336      0.1608     90.5179     43.7000
  2743 CA   GLY    337      0.0920     61.7097     38.5600
  2747 CA   SER    338      0.0771     55.4749     30.9400
  2753 CA   LEU    339      0.0328     36.9554     32.4100
  2761 CA   VAL    340      0.0289     35.2994     31.3300
  2768 CA   GLY    341      0.0241     33.2900     26.7100
  2772 CA   ALA    342      0.0176     30.5896     31.3000
  2777 CA   TRP    343      0.0224     32.6052     36.2500
  2791 CA   THR    344      0.0433     41.3356     49.8600
  2798 CA   MET    345      0.0315     36.4182     42.7000
  2806 CA   LEU    346      0.0461     42.4966     60.9200
  2814 CA   GLN    347      0.1111     69.7287     74.1500
  2823 CA   LYS    348      0.0616     48.9958     72.2700
  2832 CA   ILE    349      0.2482    127.1116     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.