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

B-factor analysis for ID 22121617313095401

Overall B-factor prediction

Correlation= 0.768 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      0.0552     51.2751     51.5900
    10 CA   GLU      2      0.0408     44.1781     39.7000
    19 CA   LEU      3      0.0169     32.3994     32.0700
    27 CA   ARG      4      0.0209     34.3998     34.9100
    38 CA   HIS      5      0.0297     38.7314     38.2300
    48 CA   THR      6      0.0207     34.2868     29.8500
    55 CA   PRO      7      0.0210     34.4532     29.7300
    62 CA   ALA      8      0.0168     32.3614     32.0900
    67 CA   ARG      9      0.0314     39.5486     28.6800
    78 CA   ASP     10      0.0215     34.6589     25.2200
    86 CA   LEU     11      0.0092     28.6232     25.5300
    94 CA   ASP     12      0.0092     28.6461     30.9000
   102 CA   LYS     13      0.0118     29.9004     26.8800
   111 CA   PHE     14      0.0110     29.5080     26.9100
   122 CA   ILE     15      0.0079     27.9785     25.4300
   130 CA   GLU     16      0.0090     28.5086     29.5700
   139 CA   ASP     17      0.0136     30.7984     27.1900
   147 CA   HIS     18      0.0130     30.5062     26.4300
   157 CA   LEU     19      0.0081     28.0810     27.7800
   165 CA   LEU     20      0.0078     27.9429     25.8600
   173 CA   PRO     21      0.0096     28.8452     27.1300
   180 CA   ASN     22      0.0133     30.6669     32.0000
   188 CA   THR     23      0.0217     34.7558     38.1500
   195 CA   CYS     24      0.0219     34.8617     36.3800
   201 CA   PHE     25      0.0130     30.4969     38.2200
   212 CA   ARG     26      0.0126     30.3098     42.7800
   223 CA   THR     27      0.0146     31.2699     37.2800
   230 CA   GLN     28      0.0137     30.8584     35.5800
   239 CA   VAL     29      0.0099     28.9607     28.9200
   246 CA   LYS     30      0.0094     28.7454     28.4700
   255 CA   GLU     31      0.0121     30.0562     33.0100
   264 CA   ALA     32      0.0099     28.9923     32.3700
   269 CA   ILE     33      0.0076     27.8188     38.9800
   277 CA   ASP     34      0.0079     27.9620     39.8900
   285 CA   ILE     35      0.0096     28.8251     38.8600
   293 CA   VAL     36      0.0078     27.9333     33.8200
   300 CA   CYS     37      0.0068     27.4406     36.1800
   306 CA   ARG     38      0.0086     28.3389     33.6200
   317 CA   PHE     39      0.0097     28.8539     31.0300
   328 CA   LEU     40      0.0079     27.9797     31.7800
   336 CA   LYS     41      0.0087     28.3755     38.7000
   345 CA   GLU     42      0.0119     29.9692     39.2600
   354 CA   ARG     43      0.0174     32.6453     35.9700
   365 CA   CYS     44      0.0138     30.8812     35.8200
   371 CA   PHE     45      0.0154     31.6961     52.2900
   382 CA   GLN     46      0.0231     35.4724     64.3100
   391 CA   GLY     47      0.0590     53.1414     74.2000
   395 CA   THR     48      0.0696     58.3558     73.9100
   402 CA   ALA     49      0.2085    126.6935     54.3000
   407 CA   ASP     50      0.1068     76.6522     59.3600
   415 CA   PRO     51      0.0397     43.6376     65.9800
   422 CA   VAL     52      0.0185     33.1924     59.8400
   429 CA   ARG     53      0.0116     29.8279     38.7700
   440 CA   VAL     54      0.0081     28.0780     27.8200
   447 CA   SER     55      0.0074     27.7436     30.3800
   453 CA   LYS     56      0.0060     27.0528     30.8600
   462 CA   VAL     57      0.0044     26.2717     26.5200
   469 CA   VAL     58      0.0046     26.3602     29.1900
   476 CA   LYS     59      0.0049     26.5246     18.6500
   485 CA   GLY     60      0.0055     26.8228     24.9200
   489 CA   GLY     61      0.0061     27.0802     27.4800
   493 CA   SER     62      0.0060     27.0324     22.2000
   499 CA   SER     63      0.0059     27.0029     29.1600
   505 CA   GLY     64      0.0053     26.6900     23.7000
   509 CA   LYS     65      0.0052     26.6678     26.1700
   518 CA   GLY     66      0.0054     26.7779     28.3100
   522 CA   THR     67      0.0054     26.7731     28.4500
   529 CA   THR     68      0.0066     27.3477     25.4800
   536 CA   LEU     69      0.0082     28.1189     23.9900
   544 CA   ARG     70      0.0099     28.9824     28.0600
   555 CA   GLY     71      0.0129     30.4427     34.1400
   559 CA   ARG     72      0.0129     30.4451     28.6900
   570 CA   SER     73      0.0102     29.0978     27.8500
   576 CA   ASP     74      0.0101     29.0519     28.7800
   584 CA   ALA     75      0.0081     28.0954     29.3300
   589 CA   ASP     76      0.0079     27.9636     30.7000
   597 CA   LEU     77      0.0053     26.7004     23.9400
   605 CA   VAL     78      0.0049     26.4970     29.9300
   612 CA   VAL     79      0.0052     26.6431     25.7100
   619 CA   PHE     80      0.0051     26.5920     27.8300
   630 CA   LEU     81      0.0084     28.2223     29.9000
   638 CA   THR     82      0.0116     29.7975     42.7400
   645 CA   LYS     83      0.0148     31.4012     42.1800
   654 CA   LEU     84      0.0125     30.2597     33.8100
   662 CA   THR     85      0.0169     32.4199     39.3600
   669 CA   SER     86      0.0150     31.4699     38.4900
   675 CA   PHE     87      0.0119     29.9309     36.0700
   686 CA   GLU     88      0.0173     32.5995     35.7700
   695 CA   ASP     89      0.0159     31.9113     34.4400
   703 CA   GLN     90      0.0113     29.6713     31.5900
   712 CA   LEU     91      0.0154     31.6661     33.7900
   720 CA   ARG     92      0.0213     34.6011     35.9600
   731 CA   ARG     93      0.0167     32.3296     37.9700
   742 CA   ARG     94      0.0136     30.8089     38.2100
   753 CA   GLY     95      0.0204     34.1611     33.7400
   757 CA   GLU     96      0.0213     34.5842     46.5700
   766 CA   PHE     97      0.0131     30.5485     35.5900
   777 CA   ILE     98      0.0142     31.0816     37.9000
   785 CA   GLN     99      0.0201     33.9785     46.9000
   794 CA   GLU    100      0.0171     32.5372     46.9200
   803 CA   ILE    101      0.0131     30.5281     42.5400
   811 CA   ARG    102      0.0168     32.3560     41.0100
   822 CA   ARG    103      0.0222     35.0018     41.0000
   833 CA   GLN    104      0.0186     33.2371     36.4500
   842 CA   LEU    105      0.0173     32.5967     40.8600
   850 CA   GLU    106      0.0259     36.8527     49.1400
   859 CA   ALA    107      0.0327     40.2129     39.9900
   864 CA   CYS    108      0.0286     38.1556     45.5500
   870 CA   GLN    109      0.0338     40.7544     53.0200
   879 CA   ARG    110      0.0545     50.8990     55.0700
   890 CA   GLU    111      0.0637     55.4397     41.6400
   899 CA   GLN    112      0.0695     58.3018     50.4700
   908 CA   LYS    113      0.0408     44.1698     47.9900
   917 CA   PHE    114      0.0299     38.8219     42.1700
   928 CA   LYS    115      0.0284     38.0525     46.2300
   937 CA   VAL    116      0.0235     35.6546     40.3300
   944 CA   THR    117      0.0281     37.9064     49.8900
   951 CA   PHE    118      0.0281     37.9358     47.7600
   962 CA   GLU    119      0.0505     48.9570     69.6200
   971 CA   VAL    120      0.1074     76.9482     98.6500
   978 CA   GLN    121      0.1297     87.9334    106.9400
   987 CA   SER    122      0.2205    132.6070    122.2800
   993 CA   PRO    123      0.2129    128.8604    123.7800
  1000 CA   ARG    124      0.1522     99.0219    108.6700
  1011 CA   ARG    125      0.1056     76.0769    103.6500
  1022 CA   GLU    126      0.1108     78.6482     93.2200
  1031 CA   ASN    127      0.0339     40.7802     65.8700
  1039 CA   PRO    128      0.0293     38.5155     62.0200
  1046 CA   ARG    129      0.0139     30.9259     41.7800
  1057 CA   ALA    130      0.0152     31.5908     42.7500
  1062 CA   LEU    131      0.0145     31.2473     34.8600
  1070 CA   SER    132      0.0170     32.4719     34.5200
  1076 CA   PHE    133      0.0173     32.6187     40.5000
  1087 CA   VAL    134      0.0191     33.4887     33.0700
  1094 CA   LEU    135      0.0178     32.8581     38.0300
  1102 CA   SER    136      0.0237     35.7450     43.3200
  1108 CA   SER    137      0.0289     38.3341     44.3100
  1114 CA   PRO    138      0.0607     53.9748     60.2500
  1121 CA   GLN    139      0.0484     47.9306     62.1100
  1130 CA   LEU    140      0.0277     37.7152     56.9200
  1138 CA   GLN    141      0.0418     44.6505     56.5000
  1147 CA   GLN    142      0.0315     39.5882     53.2400
  1156 CA   GLU    143      0.0221     34.9577     39.1400
  1165 CA   VAL    144      0.0153     31.6305     29.6700
  1172 CA   GLU    145      0.0127     30.3387     36.7600
  1181 CA   PHE    146      0.0107     29.3407     28.8300
  1192 CA   ASP    147      0.0107     29.3890     30.9000
  1200 CA   VAL    148      0.0083     28.1989     30.6000
  1207 CA   LEU    149      0.0081     28.1071     32.7300
  1215 CA   PRO    150      0.0074     27.7468     33.8100
  1222 CA   ALA    151      0.0070     27.5220     31.0600
  1227 CA   PHE    152      0.0078     27.9334     34.0900
  1238 CA   ASP    153      0.0073     27.6733     30.3800
  1246 CA   ALA    154      0.0082     28.1256     27.3600
  1251 CA   LEU    155      0.0073     27.6871     26.8400
  1259 CA   GLY    156      0.0084     28.2413     34.0000
  1263 CA   GLN    157      0.0118     29.9150     40.5100
  1272 CA   TRP    158      0.0100     29.0014     45.3500
  1286 CA   THR    159      0.0196     33.7503     55.6800
  1293 CA   PRO    160      0.0187     33.3007     62.1100
  1300 CA   GLY    161      0.0389     43.2228     56.9800
  1304 CA   TYR    162      0.0311     39.4223     39.3000
  1316 CA   LYS    163      0.0169     32.3969     29.5100
  1325 CA   PRO    164      0.0150     31.4969     31.0000
  1332 CA   ASN    165      0.0247     36.2489     25.8700
  1340 CA   PRO    166      0.0180     32.9333     30.1100
  1347 CA   GLU    167      0.0224     35.1063     30.8000
  1356 CA   ILE    168      0.0150     31.5029     29.7500
  1364 CA   TYR    169      0.0109     29.4691     27.9800
  1376 CA   VAL    170      0.0163     32.1000     32.6900
  1383 CA   GLN    171      0.0160     31.9802     30.3400
  1392 CA   LEU    172      0.0113     29.6764     26.7400
  1400 CA   ILE    173      0.0148     31.3986     24.5600
  1408 CA   LYS    174      0.0245     36.1509     29.0700
  1417 CA   GLU    175      0.0192     33.5643     34.4400
  1426 CA   CYS    176      0.0193     33.6214     35.0700
  1432 CA   LYS    177      0.0427     45.0891     41.9300
  1441 CA   SER    178      0.0484     47.9171     34.8400
  1447 CA   ARG    179      0.0398     43.6727     35.6200
  1458 CA   GLY    180      0.0465     46.9829     36.7400
  1462 CA   LYS    181      0.0199     33.8802     47.1900
  1471 CA   GLU    182      0.0151     31.5147     40.4900
  1480 CA   GLY    183      0.0132     30.6064     34.9200
  1484 CA   GLU    184      0.0128     30.4083     36.9300
  1493 CA   PHE    185      0.0083     28.1853     30.4000
  1504 CA   SER    186      0.0078     27.9509     26.3700
  1510 CA   THR    187      0.0068     27.4488     28.0300
  1517 CA   CYS    188      0.0060     27.0724     27.2100
  1523 CA   PHE    189      0.0048     26.4814     25.1500
  1534 CA   THR    190      0.0052     26.6547     28.0100
  1541 CA   GLU    191      0.0053     26.6840     23.4400
  1550 CA   LEU    192      0.0059     27.0022     19.8900
  1558 CA   GLN    193      0.0054     26.7511     24.1600
  1567 CA   ARG    194      0.0055     26.7945     24.7500
  1568 CA   ARG    194      0.0055     26.7956     24.7100
  1586 CA   ASP    195      0.0067     27.4082     27.8800
  1594 CA   PHE    196      0.0060     27.0743     25.8500
  1605 CA   LEU    197      0.0050     26.5836     26.7600
  1613 CA   ARG    198      0.0053     26.7012     26.3500
  1624 CA   ASN    199      0.0070     27.5584     29.8600
  1632 CA   ARG    200      0.0062     27.1698     24.5000
  1643 CA   PRO    201      0.0077     27.8841     23.0700
  1650 CA   THR    202      0.0068     27.4549     22.3600
  1657 CA   LYS    203      0.0060     27.0290     25.0800
  1666 CA   LEU    204      0.0055     26.8169     20.1100
  1674 CA   LYS    205      0.0048     26.4496     21.2400
  1683 CA   SER    206      0.0047     26.3938     24.2700
  1689 CA   LEU    207      0.0044     26.2828     20.1500
  1697 CA   ILE    208      0.0047     26.4236     22.4100
  1705 CA   ARG    209      0.0053     26.6860     25.3000
  1716 CA   LEU    210      0.0052     26.6820     19.9500
  1724 CA   VAL    211      0.0055     26.7820     25.0500
  1731 CA   LYS    212      0.0066     27.3713     25.6000
  1740 CA   HIS    213      0.0096     28.8396     20.4900
  1750 CA   TRP    214      0.0086     28.3371     17.7600
  1764 CA   TYR    215      0.0110     29.5296     22.9700
  1776 CA   GLN    216      0.0157     31.8178     25.3800
  1785 CA   THR    217      0.0193     33.6060     31.5100
  1792 CA   CYS    218      0.0197     33.7871     30.8600
  1798 CA   LYS    219      0.0312     39.4728     40.0900
  1807 CA   LYS    220      0.0478     47.6415     48.9800
  1816 CA   THR    221      0.0485     47.9839     41.8400
  1823 CA   HIS    222      0.0428     45.1512     43.8300
  1833 CA   GLY    223      0.0588     53.0258     41.6600
  1837 CA   ASN    224      0.0622     54.7132     43.4300
  1845 CA   LYS    225      0.0433     45.4178     39.8700
  1854 CA   LEU    226      0.0258     36.7988     28.4500
  1862 CA   PRO    227      0.0167     32.2974     20.7900
  1869 CA   PRO    228      0.0156     31.7813     24.5100
  1876 CA   GLN    229      0.0094     28.7396     29.3700
  1885 CA   TYR    230      0.0075     27.8011     23.1600
  1897 CA   ALA    231      0.0081     28.0703     23.6500
  1902 CA   LEU    232      0.0065     27.3054     24.0300
  1910 CA   GLU    233      0.0054     26.7364     23.6600
  1919 CA   LEU    234      0.0054     26.7468     18.5700
  1927 CA   LEU    235      0.0058     26.9763     22.5900
  1935 CA   THR    236      0.0052     26.6444     24.6200
  1942 CA   VAL    237      0.0066     27.3496     22.6500
  1949 CA   TYR    238      0.0068     27.4657     27.2300
  1961 CA   ALA    239      0.0082     28.1345     24.4100
  1966 CA   TRP    240      0.0076     27.8485     27.3000
  1980 CA   GLU    241      0.0120     30.0281     24.1800
  1989 CA   GLN    242      0.0150     31.4577     28.2400
  1998 CA   GLY    243      0.0144     31.1977     31.0700
  2002 CA   SER    244      0.0149     31.4131     31.1000
  2008 CA   ARG    245      0.0176     32.7657     28.6900
  2019 CA   LYS    246      0.0223     35.0711     31.4300
  2028 CA   THR    247      0.0121     30.0579     34.6000
  2035 CA   ASP    248      0.0119     29.9427     35.5900
  2043 CA   PHE    249      0.0103     29.1651     27.4200
  2054 CA   SER    250      0.0109     29.4764     24.9700
  2060 CA   THR    251      0.0076     27.8535     26.2000
  2067 CA   ALA    252      0.0088     28.4074     23.8300
  2072 CA   GLN    253      0.0106     29.3230     23.3700
  2081 CA   GLY    254      0.0080     28.0518     23.6700
  2085 CA   PHE    255      0.0071     27.5885     18.5400
  2096 CA   GLN    256      0.0092     28.6063     23.1900
  2105 CA   THR    257      0.0090     28.5494     25.6500
  2112 CA   VAL    258      0.0074     27.7646     24.0400
  2119 CA   LEU    259      0.0096     28.8091     27.8500
  2127 CA   GLU    260      0.0119     29.9712     26.7800
  2136 CA   LEU    261      0.0099     28.9750     23.8500
  2144 CA   VAL    262      0.0107     29.3464     25.6500
  2151 CA   LEU    263      0.0156     31.7747     28.1700
  2159 CA   LYS    264      0.0177     32.8261     26.0200
  2168 CA   HIS    265      0.0155     31.7479     32.8800
  2178 CA   GLN    266      0.0236     35.6948     35.6000
  2187 CA   LYS    267      0.0302     38.9404     35.0000
  2196 CA   LEU    268      0.0166     32.2566     25.8900
  2204 CA   CYS    269      0.0117     29.8580     29.6400
  2210 CA   ILE    270      0.0095     28.7544     24.0900
  2218 CA   PHE    271      0.0088     28.4071     28.2300
  2229 CA   TRP    272      0.0085     28.2818     26.6600
  2243 CA   GLU    273      0.0121     30.0675     30.6400
  2252 CA   ALA    274      0.0122     30.1270     23.7500
  2257 CA   TYR    275      0.0092     28.6439     28.5400
  2269 CA   TYR    276      0.0103     29.1677     29.0300
  2281 CA   ASP    277      0.0190     33.4297     36.1700
  2289 CA   PHE    278      0.0240     35.8964     38.3100
  2300 CA   THR    279      0.0432     45.3416     47.1700
  2307 CA   ASN    280      0.0352     41.4210     35.5300
  2315 CA   PRO    281      0.0414     44.4663     41.5600
  2322 CA   VAL    282      0.0304     39.0715     35.5400
  2329 CA   VAL    283      0.0170     32.4607     24.1400
  2336 CA   GLY    284      0.0215     34.6608     31.4900
  2340 CA   ARG    285      0.0292     38.4888     36.4500
  2351 CA   CYS    286      0.0191     33.4800     31.5500
  2357 CA   MET    287      0.0144     31.1758     29.1800
  2365 CA   LEU    288      0.0221     34.9695     33.9000
  2373 CA   GLN    289      0.0226     35.2378     34.9100
  2382 CA   GLN    290      0.0151     31.5179     32.1000
  2391 CA   LEU    291      0.0170     32.4794     30.4100
  2399 CA   LYS    292      0.0319     39.8007     33.9800
  2408 CA   LYS    293      0.0227     35.2490     29.2900
  2417 CA   PRO    294      0.0280     37.8757     28.8100
  2424 CA   ARG    295      0.0194     33.6321     26.2700
  2435 CA   PRO    296      0.0151     31.5489     25.3300
  2442 CA   VAL    297      0.0114     29.7068     26.9000
  2449 CA   ILE    298      0.0091     28.5714     22.7500
  2457 CA   LEU    299      0.0077     27.8890     25.6500
  2465 CA   ASP    300      0.0070     27.5273     26.6400
  2473 CA   PRO    301      0.0063     27.2143     20.1200
  2480 CA   ALA    302      0.0059     26.9849     24.8500
  2485 CA   ASP    303      0.0068     27.4213     25.0500
  2493 CA   PRO    304      0.0076     27.8480     23.9700
  2500 CA   THR    305      0.0087     28.3701     25.0900
  2507 CA   GLY    306      0.0093     28.6810     25.2200
  2511 CA   ASN    307      0.0109     29.4454     30.7300
  2519 CA   VAL    308      0.0105     29.2482     27.0300
  2526 CA   GLY    309      0.0126     30.3121     30.0600
  2530 CA   GLY    310      0.0214     34.6366     32.3100
  2534 CA   GLY    311      0.0305     39.1043     34.6200
  2538 CA   ASP    312      0.0332     40.4181     31.1900
  2546 CA   THR    313      0.0331     40.3846     29.4800
  2553 CA   HIS    314      0.0427     45.1335     33.4600
  2563 CA   SER    315      0.0264     37.0955     33.1700
  2569 CA   TRP    316      0.0191     33.4998     28.9300
  2583 CA   GLN    317      0.0301     38.9071     27.0000
  2592 CA   ARG    318      0.0282     37.9836     30.1400
  2603 CA   LEU    319      0.0170     32.4729     30.1300
  2611 CA   ALA    320      0.0178     32.8726     26.2700
  2616 CA   GLN    321      0.0253     36.5577     37.0300
  2625 CA   GLU    322      0.0198     33.8668     32.9400
  2634 CA   ALA    323      0.0145     31.2416     33.8600
  2639 CA   ARG    324      0.0224     35.0985     34.3400
  2650 CA   VAL    325      0.0227     35.2499     33.7100
  2657 CA   TRP    326      0.0165     32.2046     26.9100
  2671 CA   LEU    327      0.0172     32.5668     34.5300
  2679 CA   GLY    328      0.0242     36.0233     33.4800
  2683 CA   TYR    329      0.0224     35.1076     28.9800
  2695 CA   PRO    330      0.0219     34.9007     32.0400
  2702 CA   CYS    331      0.0138     30.8701     29.0600
  2708 CA   CYS    332      0.0147     31.3504     29.2200
  2714 CA   LYS    333      0.0274     37.5929     36.8600
  2723 CA   ASN    334      0.0406     44.0968     26.9000
  2731 CA   LEU    335      0.1266     86.3870     36.4600
  2739 CA   ASP    336      0.1570    101.3649     43.7000
  2747 CA   GLY    337      0.0878     67.2880     38.5600
  2751 CA   SER    338      0.0708     58.9614     30.9400
  2757 CA   LEU    339      0.0302     38.9794     32.4100
  2765 CA   VAL    340      0.0261     36.9479     31.3300
  2772 CA   GLY    341      0.0206     34.2397     26.7100
  2776 CA   ALA    342      0.0158     31.8772     31.3000
  2781 CA   TRP    343      0.0194     33.6578     36.2500
  2795 CA   THR    344      0.0369     42.2724     49.8600
  2802 CA   MET    345      0.0279     37.8524     42.7000
  2810 CA   LEU    346      0.0409     44.2202     60.9200
  2818 CA   GLN    347      0.1044     75.4599     74.1500
  2827 CA   LYS    348      0.0592     53.2343     72.2700
  2836 CA   ILE    349      0.2447    144.5045     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.