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***  TRANSFERASE 14-DEC-16 5U8E  ***

B-factor analysis for ID 22100401573516779

Overall B-factor prediction

Correlation= 0.695 for 346 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      0.1066     43.9631     36.2600
     7 CA   VAL      2      0.0502     27.8823     33.0800
    14 CA   ASP      3      0.0998     42.0258     27.4200
    22 CA   GLN      4      0.1069     44.0422     23.6800
    31 CA   ALA      5      0.0896     39.1111     27.4200
    36 CA   THR      6      0.0493     27.6292     25.6000
    43 CA   LEU      7      0.0435     25.9839     28.3000
    51 CA   ASP      8      0.0626     31.4142     24.1300
    59 CA   LYS      9      0.0466     26.8596     23.8800
    68 CA   LEU     10      0.0262     21.0360     21.6500
    76 CA   GLU     11      0.0362     23.8798     24.1000
    85 CA   ALA     12      0.0444     26.2326     28.0200
    90 CA   GLY     13      0.0299     22.1016     26.1200
    94 CA   PHE     14      0.0265     21.1346     28.4100
   105 CA   LYS     15      0.0452     26.4489     33.9800
   114 CA   LYS     16      0.0420     25.5338     27.6300
   123 CA   LEU     17      0.0311     22.4392     31.3700
   131 CA   GLN     18      0.0439     26.0728     38.2200
   140 CA   ASP     19      0.0830     37.2183     37.5400
   148 CA   ALA     20      0.0773     35.6145     39.8800
   153 CA   THR     21      0.1445     54.7767     44.0400
   160 CA   ASP     22      0.1455     55.0481     50.8700
   168 CA   LYS     24      0.0694     33.3564     33.4300
   177 CA   SER     25      0.0316     22.5745     22.3000
   183 CA   LEU     26      0.0216     19.7390     22.4700
   191 CA   LEU     27      0.0152     17.9167     19.8800
   199 CA   LYS     28      0.0239     20.3876     24.9400
   208 CA   LYS     29      0.0285     21.6969     25.6400
   217 CA   TYR     30      0.0186     18.8750     19.6800
   229 CA   LEU     31      0.0161     18.1538     21.6900
   237 CA   ASN     32      0.0325     22.8286     23.3700
   245 CA   ARG     33      0.0335     23.1231     28.6800
   256 CA   GLU     34      0.0496     27.7063     28.5600
   265 CA   VAL     35      0.0247     20.6189     29.1000
   272 CA   PHE     36      0.0205     19.4020     25.4500
   283 CA   ASP     37      0.0298     22.0619     28.2600
   291 CA   GLN     38      0.0268     21.2190     23.8400
   300 CA   CYS     39      0.0179     18.6613     23.3800
   306 CA   LYS     40      0.0207     19.4826     24.8300
   315 CA   SER     41      0.0295     21.9723     25.3900
   321 CA   LEU     42      0.0227     20.0307     20.9100
   329 CA   LYS     43      0.0239     20.3901     23.0500
   338 CA   THR     44      0.0228     20.0620     17.2000
   345 CA   ALA     45      0.0508     28.0566     20.9500
   350 CA   LEU     46      0.0314     22.5139     22.2700
   358 CA   GLY     47      0.0316     22.5682     16.3000
   362 CA   ALA     48      0.0149     17.8112     18.1200
   367 CA   THR     49      0.0140     17.5470     16.0200
   374 CA   LEU     50      0.0099     16.3913     17.4700
   382 CA   LEU     51      0.0126     17.1752     16.7800
   390 CA   ASP     52      0.0086     16.0334     15.6800
   398 CA   CYS     53      0.0070     15.5529     11.4300
   404 CA   ILE     54      0.0092     16.1978     13.0100
   412 CA   GLN     55      0.0124     17.0941     16.1000
   421 CA   SER     56      0.0156     18.0230     18.2700
   427 CA   GLY     57      0.0173     18.5077     15.5000
   431 CA   VAL     58      0.0216     19.7206     22.1900
   438 CA   GLU     59      0.0306     22.3004     24.8900
   447 CA   ASN     60      0.0322     22.7491     19.0300
   455 CA   LEU     61      0.0371     24.1546     23.7600
   463 CA   ASP     62      0.0525     28.5427     27.5100
   471 CA   SER     63      0.0363     23.9231     24.4000
   477 CA   GLY     64      0.0361     23.8711     22.7700
   481 CA   VAL     65      0.0211     19.5986     18.8700
   488 CA   GLY     66      0.0149     17.8101     16.0700
   492 CA   ILE     67      0.0092     16.1882     12.8300
   500 CA   TYR     68      0.0067     15.4827     13.5200
   512 CA   ALA     69      0.0055     15.1472     12.2400
   517 CA   PRO     70      0.0066     15.4483     15.7600
   524 CA   ASP     71      0.0075     15.7192     15.1700
   532 CA   ALA     72      0.0089     16.0960     14.1300
   537 CA   GLU     73      0.0117     16.9174     16.0000
   546 CA   ALA     74      0.0074     15.6738     10.3600
   551 CA   TYR     75      0.0073     15.6493     11.7300
   563 CA   THR     76      0.0143     17.6345     14.0600
   570 CA   LEU     77      0.0142     17.6277     13.4000
   578 CA   PHE     78      0.0098     16.3743     13.8400
   589 CA   ALA     79      0.0130     17.2699     15.5900
   594 CA   PRO     80      0.0145     17.7074     15.6100
   601 CA   ILE     81      0.0108     16.6386     10.1900
   609 CA   PHE     82      0.0090     16.1259     11.9600
   620 CA   ASN     83      0.0128     17.2099     14.3800
   628 CA   PRO     84      0.0162     18.1906     13.1400
   635 CA   ILE     85      0.0143     17.6361     16.8000
   643 CA   ILE     86      0.0136     17.4392     13.6200
   651 CA   GLU     87      0.0198     19.2019     18.6300
   660 CA   ASP     88      0.0240     20.4117     18.8400
   668 CA   TYR     89      0.0208     19.4905     20.4900
   680 CA   HIS     90      0.0205     19.4090     24.3000
   690 CA   GLU     91      0.0354     23.6510     28.1200
   699 CA   GLY     92      0.0400     24.9690     25.3000
   703 CA   PHE     93      0.0243     20.5075     16.2900
   714 CA   LYS     94      0.0353     23.6184     20.3600
   723 CA   PRO     95      0.0316     22.5854     15.8000
   730 CA   THR     96      0.0630     31.5434     17.5900
   737 CA   ASP     97      0.0401     24.9989     15.0000
   745 CA   LYS     98      0.0234     20.2383     13.0500
   754 CA   HIS     99      0.0156     18.0181     13.6400
   764 CA   PRO    100      0.0194     19.0902     13.9000
   771 CA   PRO    101      0.0235     20.2733     19.0200
   778 CA   THR    102      0.0153     17.9210     17.8000
   785 CA   ASP    103      0.0160     18.1364     21.0100
   793 CA   PHE    104      0.0126     17.1655     18.7500
   804 CA   GLY    105      0.0180     18.7095     20.6800
   808 CA   ASP    106      0.0340     23.2500     27.7200
   816 CA   ILE    107      0.0209     19.5333     30.3000
   824 CA   ASN    108      0.0438     26.0691     31.2900
   832 CA   THR    109      0.0284     21.6798     26.9300
   839 CA   ILE    110      0.0142     17.6234     21.9300
   847 CA   VAL    111      0.0173     18.5115     22.1900
   854 CA   ASN    112      0.0196     19.1530     22.1200
   862 CA   VAL    113      0.0166     18.3045     21.4600
   869 CA   ASP    114      0.0294     21.9586     20.7400
   877 CA   PRO    115      0.0701     33.5560     23.4700
   884 CA   SER    116      0.0935     40.2285     26.6800
   890 CA   GLY    117      0.0663     32.4746     22.2000
   894 CA   LYS    118      0.0583     30.1850     21.0400
   903 CA   TYR    119      0.0383     24.5005     18.9000
   915 CA   VAL    120      0.0256     20.8713     19.6400
   922 CA   VAL    121      0.0331     23.0108     20.7400
   929 CA   SER    122      0.0222     19.8973     21.0800
   935 CA   THR    123      0.0140     17.5628     18.9800
   942 CA   HIS    124      0.0104     16.5283     20.3500
   952 CA   VAL    125      0.0083     15.9298     17.0500
   959 CA   ARG    126      0.0075     15.7174     16.6300
   970 CA   CYS    127      0.0072     15.6294     14.5700
   976 CA   GLY    128      0.0067     15.4817     14.2100
   980 CA   ARG    129      0.0061     15.3186     14.2600
   991 CA   SER    130      0.0069     15.5255     14.4400
   997 CA   LEU    131      0.0082     15.9144     18.6600
  1005 CA   LYS    132      0.0154     17.9705     22.2300
  1014 CA   GLY    133      0.0178     18.6490     19.8300
  1018 CA   TYR    134      0.0103     16.5123     18.9800
  1030 CA   PRO    135      0.0104     16.5249     12.7100
  1037 CA   PHE    136      0.0062     15.3502     12.8600
  1048 CA   ASN    137      0.0073     15.6515     15.7000
  1056 CA   PRO    138      0.0089     16.1117     14.4100
  1063 CA   CYS    139      0.0100     16.4078     18.6100
  1069 CA   LEU    140      0.0132     17.3388     17.0200
  1077 CA   THR    141      0.0210     19.5673     19.5600
  1084 CA   GLU    142      0.0272     21.3094     22.9500
  1093 CA   ALA    143      0.0323     22.7681     17.6900
  1098 CA   ASN    144      0.0167     18.3302     19.6900
  1106 CA   TYR    145      0.0128     17.2182     16.8900
  1118 CA   LYS    146      0.0209     19.5217     20.0900
  1127 CA   GLU    147      0.0218     19.7728     22.2800
  1136 CA   MET    148      0.0112     16.7639     17.7100
  1144 CA   GLU    149      0.0107     16.6085     20.0200
  1153 CA   ASP    150      0.0216     19.7358     23.4500
  1161 CA   LYS    151      0.0191     19.0280     23.4500
  1170 CA   VAL    152      0.0107     16.6169     21.8500
  1177 CA   SER    153      0.0117     16.9098     21.5400
  1183 CA   ALA    154      0.0178     18.6528     26.3100
  1188 CA   ILE    155      0.0157     18.0574     22.8800
  1196 CA   PHE    156      0.0121     17.0274     25.1300
  1207 CA   GLY    157      0.0202     19.3200     28.9500
  1211 CA   THR    158      0.0298     22.0605     33.1700
  1218 CA   PHE    159      0.0210     19.5512     25.5600
  1229 CA   GLU    160      0.0541     28.9859     35.7400
  1238 CA   GLY    161      0.0644     31.9424     29.0200
  1242 CA   GLU    162      0.0204     19.3763     31.0300
  1251 CA   LEU    163      0.0145     17.7002     24.2100
  1259 CA   LYS    164      0.0215     19.7105     23.6000
  1268 CA   GLY    165      0.0187     18.8925     22.8800
  1272 CA   LYS    166      0.0141     17.5780     21.7800
  1281 CA   TYR    167      0.0101     16.4432     16.6900
  1293 CA   TYR    168      0.0128     17.2207     14.2300
  1305 CA   PRO    169      0.0150     17.8382     11.2700
  1312 CA   LEU    170      0.0164     18.2344     13.8600
  1320 CA   THR    171      0.0232     20.1852     18.2100
  1327 CA   GLY    172      0.0984     41.6218     18.0300
  1331 CA   MET    173      0.0526     28.5747     15.1600
  1339 CA   ASP    174      0.1062     43.8526     13.9800
  1347 CA   LYS    175      0.1192     47.5388     20.0500
  1356 CA   ALA    176      0.0961     40.9537     15.1900
  1361 CA   THR    177      0.0556     29.4090     19.4800
  1368 CA   GLN    178      0.0511     28.1404     17.1100
  1377 CA   GLN    179      0.0723     34.1758     19.7000
  1386 CA   GLN    180      0.0520     28.3914     18.1600
  1395 CA   LEU    181      0.0325     22.8377     18.4900
  1403 CA   ILE    182      0.0542     29.0068     19.4700
  1411 CA   ASP    183      0.0739     34.6501     21.9500
  1419 CA   ASP    184      0.0521     28.4116     23.1000
  1427 CA   HIS    185      0.0566     29.7097     22.5200
  1437 CA   PHE    186      0.0203     19.3527     15.9300
  1448 CA   LEU    187      0.0225     19.9778     14.2600
  1456 CA   PHE    188      0.0220     19.8384     15.0900
  1467 CA   LYS    189      0.0330     22.9682     23.4700
  1476 CA   GLU    190      0.0281     21.5934     23.3300
  1485 CA   GLY    191      0.0292     21.8894     20.4100
  1489 CA   ASP    192      0.0562     29.5906     17.8600
  1497 CA   ARG    193      0.0417     25.4641     17.6600
  1508 CA   PHE    194      0.0237     20.3226     19.5100
  1519 CA   LEU    195      0.0194     19.1052     15.4100
  1527 CA   GLN    196      0.0214     19.6834     19.6900
  1536 CA   ALA    197      0.0207     19.4788     14.3600
  1541 CA   ALA    198      0.0132     17.3410     14.1900
  1546 CA   ASN    199      0.0134     17.3918     16.1600
  1554 CA   ALA    200      0.0117     16.9023     16.0900
  1559 CA   CYS    201      0.0148     17.7873     17.8100
  1565 CA   ARG    202      0.0191     19.0251     18.8300
  1576 CA   TYR    203      0.0225     19.9698     17.7200
  1588 CA   TRP    204      0.0210     19.5539     19.9500
  1602 CA   PRO    205      0.0186     18.8688     16.9000
  1609 CA   THR    206      0.0174     18.5407     18.3400
  1616 CA   GLY    207      0.0118     16.9325     14.2100
  1620 CA   ARG    208      0.0092     16.1814     11.8500
  1631 CA   GLY    209      0.0096     16.3142     10.5500
  1635 CA   ILE    210      0.0084     15.9740     13.3000
  1643 CA   TYR    211      0.0076     15.7426     15.1300
  1655 CA   HIS    212      0.0109     16.6854     13.9800
  1665 CA   ASN    213      0.0128     17.2110     22.6000
  1673 CA   ASP    214      0.0253     20.7829     24.0400
  1681 CA   ALA    215      0.0267     21.1710     21.0900
  1686 CA   LYS    216      0.0164     18.2347     19.5600
  1695 CA   THR    217      0.0145     17.6890     18.6400
  1702 CA   PHE    218      0.0094     16.2351     16.9600
  1713 CA   LEU    219      0.0082     15.9148     15.4600
  1721 CA   VAL    220      0.0065     15.4152     15.3300
  1728 CA   TRP    221      0.0068     15.5142     11.6900
  1742 CA   VAL    222      0.0062     15.3447     11.7000
  1749 CA   ASN    223      0.0068     15.5187     12.4000
  1757 CA   GLU    224      0.0080     15.8392     12.7900
  1766 CA   GLU    225      0.0071     15.6045     19.0800
  1775 CA   ASP    226      0.0059     15.2476     14.7400
  1783 CA   HIS    227      0.0055     15.1274     12.8600
  1793 CA   LEU    228      0.0052     15.0425     11.9800
  1801 CA   ARG    229      0.0060     15.2923     11.9500
  1812 CA   ILE    230      0.0066     15.4590     15.2400
  1820 CA   ILE    231      0.0076     15.7429     15.1300
  1828 CA   SER    232      0.0096     16.3102     18.0500
  1834 CA   MET    233      0.0119     16.9485     16.8400
  1842 CA   GLN    234      0.0245     20.5454     18.6700
  1851 CA   LYS    235      0.0399     24.9485     21.8800
  1860 CA   GLY    236      0.0253     20.7719     19.4100
  1864 CA   GLY    237      0.0179     18.6652     18.2100
  1868 CA   ASP    238      0.0161     18.1484     19.8200
  1876 CA   LEU    239      0.0107     16.6257     20.2900
  1884 CA   LYS    240      0.0129     17.2427     20.7600
  1893 CA   THR    241      0.0153     17.9210     22.8100
  1900 CA   ILE    242      0.0102     16.4861     18.0100
  1908 CA   PHE    243      0.0087     16.0552     15.7300
  1919 CA   GLN    244      0.0127     17.1793     21.5900
  1928 CA   ARG    245      0.0119     16.9622     23.8800
  1939 CA   LEU    246      0.0092     16.1826     19.4400
  1947 CA   VAL    247      0.0116     16.8819     24.0800
  1954 CA   ASN    248      0.0145     17.6893     22.3200
  1962 CA   ALA    249      0.0113     16.7871     21.7200
  1967 CA   VAL    250      0.0112     16.7551     20.1800
  1974 CA   ASN    251      0.0159     18.1006     22.5000
  1982 CA   THR    252      0.0161     18.1500     17.9500
  1989 CA   ILE    253      0.0128     17.2124     21.3000
  1997 CA   GLU    254      0.0160     18.1429     21.1100
  2006 CA   SER    255      0.0269     21.2246     24.4500
  2012 CA   LYS    256      0.0243     20.5097     26.7000
  2021 CA   LEU    257      0.0184     18.8031     28.3500
  2029 CA   PRO    258      0.0183     18.7964     21.3800
  2036 CA   PHE    259      0.0128     17.2086     16.9200
  2047 CA   SER    260      0.0107     16.6334     18.8400
  2053 CA   ARG    261      0.0100     16.4312     17.5400
  2064 CA   ASP    262      0.0163     18.2193     17.9500
  2072 CA   ASP    263      0.0266     21.1599     16.8900
  2080 CA   ARG    264      0.0170     18.4242     10.4400
  2091 CA   LEU    265      0.0112     16.7731     12.4200
  2099 CA   GLY    266      0.0093     16.2207     12.0200
  2103 CA   PHE    267      0.0083     15.9497     15.1800
  2114 CA   LEU    268      0.0066     15.4569     11.6800
  2122 CA   THR    269      0.0065     15.4112     13.1800
  2129 CA   PHE    270      0.0062     15.3267     14.2000
  2140 CA   CYS    271      0.0075     15.7207     14.8700
  2146 CA   PRO    272      0.0079     15.8312     14.8200
  2153 CA   THR    273      0.0109     16.6626     14.9300
  2160 CA   ASN    274      0.0084     15.9537     10.8900
  2168 CA   LEU    275      0.0078     15.7880     14.3900
  2176 CA   GLY    276      0.0088     16.0778     12.9900
  2180 CA   THR    277      0.0084     15.9715     11.2800
  2187 CA   THR    278      0.0076     15.7501     13.6000
  2194 CA   ILE    279      0.0074     15.6722     14.3400
  2202 CA   ARG    280      0.0103     16.5108     18.3800
  2213 CA   ALA    281      0.0080     15.8455     19.6600
  2218 CA   SER    282      0.0126     17.1629     19.7500
  2224 CA   VAL    283      0.0142     17.6056     19.3400
  2231 CA   HIS    284      0.0262     21.0277     24.4400
  2241 CA   ILE    285      0.0268     21.2210     22.1000
  2249 CA   ALA    286      0.0437     26.0292     29.4900
  2254 CA   LEU    287      0.0448     26.3378     33.1000
  2262 CA   PRO    288      0.0793     36.1669     37.5300
  2269 CA   LYS    289      0.0836     37.3948     34.9900
  2278 CA   LEU    290      0.0658     32.3278     38.7900
  2286 CA   ALA    291      0.0879     38.6164     42.0400
  2291 CA   LYS    292      0.1644     60.4436     53.7600
  2296 CA   ASP    293      0.1392     53.2516     61.7000
  2301 CA   LYS    294      0.1179     47.1854     64.3200
  2306 CA   LYS    295      0.1538     57.4096     71.5600
  2311 CA   GLN    296      0.0892     38.9968     67.8900
  2316 CA   LEU    297      0.0609     30.9289     56.7700
  2321 CA   GLU    298      0.0708     33.7664     51.7900
  2330 CA   ALA    299      0.0751     34.9758     53.1000
  2335 CA   ILE    300      0.0380     24.4038     53.5400
  2343 CA   ALA    301      0.0339     23.2363     41.5600
  2348 CA   ALA    302      0.0515     28.2468     42.5300
  2353 CA   LYS    303      0.0516     28.2675     41.4200
  2362 CA   PHE    304      0.0227     20.0511     37.3600
  2373 CA   ASN    305      0.0255     20.8490     31.0400
  2381 CA   LEU    306      0.0199     19.2525     29.0600
  2389 CA   GLN    307      0.0276     21.4415     30.2200
  2398 CA   VAL    308      0.0395     24.8277     33.0700
  2405 CA   ARG    309      0.0539     28.9436     39.8500
  2410 CA   GLY    320      0.3020     99.6693     51.2100
  2414 CA   GLY    321      0.1081     44.3836     61.0500
  2418 CA   VAL    322      0.0560     29.5223     38.0200
  2425 CA   TYR    323      0.0445     26.2528     36.4100
  2437 CA   ASP    324      0.0293     21.9315     31.7200
  2445 CA   ILE    325      0.0201     19.2920     24.7900
  2453 CA   SER    326      0.0144     17.6692     21.9800
  2459 CA   ASN    327      0.0120     16.9816     24.4400
  2467 CA   LYS    328      0.0173     18.5053     24.5000
  2476 CA   ARG    329      0.0151     17.8867     16.5300
  2487 CA   ARG    330      0.0100     16.4303     19.7800
  2498 CA   MET    331      0.0105     16.5598     15.9400
  2506 CA   GLY    332      0.0148     17.7981     16.4700
  2510 CA   LEU    333      0.0128     17.2186     15.5200
  2518 CA   THR    334      0.0119     16.9483     14.2800
  2525 CA   GLU    335      0.0100     16.4153     17.8400
  2534 CA   TYR    336      0.0115     16.8344     17.9500
  2546 CA   GLN    337      0.0127     17.1802     18.2300
  2555 CA   ALA    338      0.0096     16.3063     17.6300
  2560 CA   VAL    339      0.0078     15.8069     19.1000
  2567 CA   LYS    340      0.0112     16.7550     17.9700
  2576 CA   GLU    341      0.0115     16.8400     20.3700
  2585 CA   MET    342      0.0095     16.2678     17.5400
  2593 CA   GLN    343      0.0095     16.2810     17.8200
  2602 CA   ASP    344      0.0152     17.9012     18.2400
  2610 CA   GLY    345      0.0160     18.1189     17.7100
  2614 CA   ILE    346      0.0140     17.5530     19.8000
  2622 CA   LEU    347      0.0179     18.6626     16.4000
  2630 CA   GLU    348      0.0278     21.4993     22.0800
  2639 CA   MET    349      0.0263     21.0673     20.6300
  2647 CA   ILE    350      0.0299     22.0985     22.8000
  2655 CA   LYS    351      0.0461     26.7163     24.3900
  2664 CA   MET    352      0.0522     28.4551     28.3300
  2672 CA   GLU    353      0.0514     28.2136     25.5500
  2681 CA   GLU    354      0.0752     35.0154     29.6000
  2690 CA   ALA    355      0.1078     44.2975     39.3600
  2695 CA   ALA    356      0.1323     51.2844     44.0100
  2700 CA   PRO    357      0.2862     95.1476     50.0200

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.