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***  adktest  ***

B-factor analysis for ID 220616091311124970

Overall B-factor prediction

Correlation= 0.565 for 342 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   VAL      4      0.0263     16.0543     30.3900
     9 CA   ARG      5      0.0193     13.7792     26.2200
    20 CA   GLU      6      0.0143     12.1796     21.9400
    29 CA   ASN      7      0.0094     10.5772     15.3600
    37 CA   ILE      8      0.0082     10.1983     11.9200
    45 CA   LEU      9      0.0058      9.4038     10.8400
    53 CA   PHE     10      0.0043      8.9447     10.0000
    64 CA   GLY     11      0.0044      8.9693      8.6700
    68 CA   MET     12      0.0039      8.8071      9.2400
    76 CA   GLY     13      0.0043      8.9462      7.4800
    80 CA   ASN     14      0.0053      9.2611      8.8300
    88 CA   PRO     15      0.0054      9.2850     10.9200
    95 CA   LEU     16      0.0078     10.0595      9.8300
   103 CA   LEU     17      0.0088     10.3748     10.5300
   111 CA   ASP     18      0.0102     10.8328     11.0300
   119 CA   ILE     19      0.0109     11.0719     11.3600
   127 CA   SER     20      0.0156     12.5820     12.3400
   133 CA   ALA     21      0.0199     13.9669     10.3300
   138 CA   VAL     22      0.0301     17.2904      9.6500
   145 CA   VAL     23      0.0299     17.2234      9.7900
   152 CA   ASP     24      0.0627     27.8231     13.1400
   160 CA   LYS     25      0.0765     32.3076     15.3300
   169 CA   ASP     26      0.0676     29.4257     16.4200
   177 CA   PHE     27      0.0370     19.5148     11.2400
   188 CA   LEU     28      0.0322     17.9780     12.3400
   196 CA   ASP     29      0.0553     25.4548     16.0200
   204 CA   LYS     30      0.0470     22.7638     16.5600
   213 CA   TYR     31      0.0358     19.1242     13.8200
   225 CA   SER     32      0.0455     22.2800     12.1200
   231 CA   LEU     33      0.0305     17.4166     12.7900
   239 CA   LYS     34      0.0393     20.2468     12.8300
   248 CA   PRO     35      0.0333     18.3296     12.9700
   255 CA   ASN     36      0.0293     17.0220     11.6600
   263 CA   ASP     37      0.0243     15.4071     11.4900
   271 CA   GLN     38      0.0116     11.2852      7.8600
   280 CA   ILE     39      0.0128     11.6805      9.2200
   288 CA   LEU     40      0.0136     11.9572     10.7700
   296 CA   ALA     41      0.0156     12.5841     19.0500
   301 CA   GLU     42      0.0560     25.6739     28.7300
   310 CA   ASP     43      0.0852     35.1034     29.8300
   318 CA   LYS     44      0.0572     26.0534     23.0000
   327 CA   HIS     45      0.0307     17.4914     21.2900
   337 CA   LYS     46      0.0425     21.2921     27.7100
   346 CA   GLU     47      0.0435     21.6367     24.7700
   355 CA   LEU     48      0.0220     14.6474     17.7400
   363 CA   PHE     49      0.0201     14.0360     17.6400
   374 CA   ASP     50      0.0429     21.4298     22.8500
   382 CA   GLU     51      0.0363     19.2962     19.2600
   391 CA   LEU     52      0.0231     15.0220     19.2200
   399 CA   VAL     53      0.0323     18.0040     20.9600
   406 CA   LYS     54      0.0686     29.7375     24.4100
   415 CA   LYS     55      0.0611     27.3084     20.6500
   424 CA   PHE     56      0.0422     21.2055     16.2800
   435 CA   LYS     57      0.0549     25.3038     16.5300
   444 CA   VAL     58      0.0247     15.5279     15.1700
   451 CA   GLU     59      0.0291     16.9509     16.1000
   460 CA   TYR     60      0.0153     12.4815     13.4400
   472 CA   HIS     61      0.0153     12.4981     13.3400
   482 CA   ALA     62      0.0088     10.3786     11.8800
   487 CA   GLY     63      0.0076      9.9999     10.9300
   491 CA   GLY     64      0.0054      9.2933      9.3900
   495 CA   SER     65      0.0046      9.0449      6.8700
   501 CA   THR     66      0.0042      8.8919      8.2800
   508 CA   GLN     67      0.0039      8.8146      9.5100
   517 CA   ASN     68      0.0052      9.2156      9.0200
   525 CA   SER     69      0.0044      8.9655      7.4700
   531 CA   ILE     70      0.0047      9.0526      8.0600
   539 CA   LYS     71      0.0051      9.2074      9.2600
   548 CA   VAL     72      0.0056      9.3388      8.3300
   555 CA   ALA     73      0.0055      9.3116      8.3300
   560 CA   GLN     74      0.0080     10.1185      9.9200
   569 CA   TRP     75      0.0080     10.1337     10.4100
   583 CA   MET     76      0.0079     10.0969     10.3300
   591 CA   ILE     77      0.0092     10.5319     12.7600
   599 CA   GLN     78      0.0179     13.3261     17.6000
   608 CA   GLN     79      0.0267     16.1788     18.2000
   617 CA   PRO     80      0.0210     14.3341     16.9500
   624 CA   HIS     81      0.0205     14.1735     18.0600
   634 CA   LYS     82      0.0124     11.5670     17.6700
   643 CA   ALA     83      0.0098     10.7073     12.4000
   648 CA   ALA     84      0.0064      9.6175     13.3300
   653 CA   THR     85      0.0058      9.4334     12.7800
   660 CA   PHE     86      0.0050      9.1597     10.8000
   671 CA   PHE     87      0.0048      9.0954     10.3700
   682 CA   GLY     88      0.0063      9.5797     10.3000
   686 CA   CYS     89      0.0073      9.8938     10.5300
   692 CA   ILE     90      0.0101     10.7949     11.5500
   700 CA   GLY     91      0.0144     12.2114     14.2000
   704 CA   ILE     92      0.0265     16.1168     19.7000
   712 CA   ASP     93      0.0270     16.2876     18.9500
   720 CA   LYS     94      0.0428     21.4083     17.4000
   729 CA   PHE     95      0.0173     13.1393     17.2500
   740 CA   GLY     96      0.0152     12.4485     18.8300
   744 CA   GLU     97      0.0224     14.7980     19.9900
   753 CA   ILE     98      0.0165     12.8750     17.7400
   761 CA   LEU     99      0.0115     11.2780     16.2900
   769 CA   LYS    100      0.0155     12.5602     19.1900
   778 CA   ARG    101      0.0250     15.6331     20.2900
   789 CA   LYS    102      0.0189     13.6508     18.3700
   798 CA   ALA    103      0.0141     12.0966     15.2700
   803 CA   ALA    104      0.0238     15.2438     17.2200
   808 CA   GLU    105      0.0398     20.4365     19.2000
   817 CA   ALA    106      0.0177     13.2744     15.8400
   822 CA   HIS    107      0.0150     12.3970     15.4800
   832 CA   VAL    108      0.0088     10.4013     13.5000
   839 CA   ASP    109      0.0086     10.3344     15.6400
   847 CA   ALA    110      0.0077     10.0416     15.1600
   852 CA   HIS    111      0.0075      9.9763     16.3900
   862 CA   TYR    112      0.0081     10.1497     15.4900
   874 CA   TYR    113      0.0093     10.5508     17.4200
   886 CA   GLU    114      0.0176     13.2400     20.5200
   895 CA   GLN    115      0.0209     14.3224     22.8700
   904 CA   ASN    116      0.0543     25.1101     27.8800
   912 CA   GLU    117      0.0767     32.3664     26.4000
   921 CA   GLN    118      0.0275     16.4415     19.7800
   930 CA   PRO    119      0.0220     14.6510     15.8700
   937 CA   THR    120      0.0108     11.0512     12.8200
   944 CA   GLY    121      0.0097     10.6736     11.3300
   948 CA   THR    122      0.0097     10.6826     10.7700
   955 CA   CYS    123      0.0095     10.6290     10.1000
   961 CA   ALA    124      0.0092     10.5034      9.9800
   966 CA   ALA    125      0.0104     10.9175     10.0200
   971 CA   CYS    126      0.0137     11.9685      8.4700
   977 CA   ILE    127      0.0201     14.0349      9.0000
   985 CA   THR    128      0.0362     19.2439      8.6000
   992 CA   GLY    129      0.0591     26.6597      9.5100
   996 CA   ASP    130      0.0583     26.4134      8.9400
  1004 CA   ASN    131      0.0332     18.2715      9.8500
  1012 CA   ARG    132      0.0161     12.7438     10.5400
  1023 CA   SER    133      0.0139     12.0266      9.1700
  1029 CA   LEU    134      0.0103     10.8618      9.2600
  1037 CA   ILE    135      0.0102     10.8368      9.3300
  1045 CA   ALA    136      0.0108     11.0286      8.1600
  1050 CA   ASN    137      0.0111     11.1280     11.6100
  1058 CA   LEU    138      0.0096     10.6582      9.9200
  1066 CA   ALA    139      0.0119     11.3818     11.0500
  1071 CA   ALA    140      0.0107     11.0125     10.9100
  1076 CA   ALA    141      0.0082     10.2030     10.7000
  1081 CA   ASN    142      0.0109     11.0625     12.8800
  1089 CA   CYS    143      0.0119     11.4016     13.5400
  1095 CA   TYR    144      0.0096     10.6644     13.0900
  1107 CA   LYS    145      0.0125     11.5966     17.2500
  1116 CA   LYS    146      0.0125     11.5770     16.0600
  1125 CA   GLU    147      0.0212     14.4011     17.6700
  1134 CA   LYS    148      0.0202     14.0709     15.7000
  1143 CA   HIS    149      0.0121     11.4641     14.4000
  1153 CA   LEU    150      0.0098     10.7113     13.3900
  1161 CA   ASP    151      0.0150     12.3858     16.0700
  1169 CA   LEU    152      0.0269     16.2639     17.6100
  1177 CA   GLU    153      0.0354     19.0017     23.9700
  1186 CA   LYS    154      0.0367     19.4333     21.6900
  1195 CA   ASN    155      0.0135     11.9130     16.5100
  1203 CA   TRP    156      0.0121     11.4709     17.4200
  1217 CA   MET    157      0.0173     13.1420     22.1500
  1225 CA   LEU    158      0.0097     10.6730     17.8000
  1233 CA   VAL    159      0.0089     10.4110     15.1900
  1240 CA   GLU    160      0.0114     11.2366     19.5300
  1249 CA   LYS    161      0.0113     11.2145     16.3300
  1258 CA   ALA    162      0.0085     10.2799     13.4800
  1263 CA   ARG    163      0.0091     10.4892     15.8700
  1274 CA   VAL    164      0.0051      9.1953     12.3700
  1281 CA   CYS    165      0.0043      8.9375     12.3600
  1287 CA   TYR    166      0.0031      8.5528      9.2400
  1299 CA   ILE    167      0.0033      8.6052      8.4700
  1307 CA   ALA    168      0.0047      9.0687      7.1400
  1312 CA   GLY    169      0.0053      9.2641      6.7200
  1316 CA   PHE    170      0.0060      9.4714      7.0100
  1327 CA   PHE    171      0.0057      9.3726      6.7500
  1338 CA   LEU    172      0.0077     10.0373      8.4900
  1346 CA   THR    173      0.0091     10.4895      9.3300
  1353 CA   VAL    174      0.0099     10.7506      9.3000
  1360 CA   SER    175      0.0095     10.6194     10.8800
  1366 CA   PRO    176      0.0118     11.3604     11.4900
  1373 CA   GLU    177      0.0142     12.1426     13.9300
  1382 CA   SER    178      0.0084     10.2567     10.2900
  1388 CA   VAL    179      0.0073      9.9189     11.3300
  1395 CA   LEU    180      0.0104     10.9057     14.1400
  1403 CA   LYS    181      0.0092     10.5048     13.5300
  1412 CA   VAL    182      0.0070      9.7913     11.2900
  1419 CA   ALA    183      0.0079     10.1006     12.1800
  1424 CA   HIS    184      0.0132     11.8120     17.8200
  1434 CA   HIS    185      0.0126     11.6092     18.1700
  1444 CA   ALA    186      0.0103     10.8739     15.2700
  1449 CA   SER    187      0.0127     11.6608     18.9600
  1455 CA   GLU    188      0.0250     15.6232     22.3200
  1464 CA   ASN    189      0.0220     14.6579     22.4500
  1472 CA   ASN    190      0.0180     13.3779     24.1200
  1480 CA   ARG    191      0.0140     12.0722     20.5100
  1491 CA   ILE    192      0.0067      9.7237     16.0300
  1499 CA   PHE    193      0.0052      9.2222     10.8000
  1510 CA   THR    194      0.0036      8.7221      8.6800
  1517 CA   LEU    195      0.0039      8.8115      7.8100
  1525 CA   ASN    196      0.0045      9.0049      7.2100
  1533 CA   LEU    197      0.0051      9.2063      7.3600
  1541 CA   SER    198      0.0077     10.0474      6.9200
  1547 CA   ALA    199      0.0095     10.6211      8.0100
  1552 CA   PRO    200      0.0125     11.5967     10.3200
  1559 CA   PHE    201      0.0127     11.6620      9.5300
  1570 CA   ILE    202      0.0099     10.7476      8.9100
  1578 CA   SER    203      0.0108     11.0324     11.4500
  1584 CA   GLN    204      0.0200     14.0239     14.0500
  1593 CA   PHE    205      0.0264     16.0967     14.8500
  1604 CA   TYR    206      0.0139     12.0338     11.5100
  1616 CA   LYS    207      0.0153     12.5076     15.4400
  1625 CA   GLU    208      0.0330     18.2153     19.7700
  1634 CA   SER    209      0.0183     13.4732     14.7700
  1640 CA   LEU    210      0.0104     10.9123     13.0500
  1648 CA   MET    211      0.0119     11.4010     13.7800
  1656 CA   LYS    212      0.0153     12.4973     15.5900
  1665 CA   VAL    213      0.0100     10.7833     13.3200
  1672 CA   MET    214      0.0096     10.6626     10.8700
  1680 CA   PRO    215      0.0108     11.0230     11.7300
  1687 CA   TYR    216      0.0073      9.9080     11.2200
  1699 CA   VAL    217      0.0068      9.7386     10.2300
  1706 CA   ASP    218      0.0059      9.4602     10.5700
  1714 CA   ILE    219      0.0053      9.2450      9.6100
  1722 CA   LEU    220      0.0039      8.8154      8.1100
  1730 CA   PHE    221      0.0043      8.9463      7.9100
  1741 CA   GLY    222      0.0078     10.0541      7.4700
  1745 CA   ASN    223      0.0104     10.9135      9.8100
  1753 CA   GLU    224      0.0151     12.4440     12.3700
  1762 CA   THR    225      0.0184     13.4992     11.7100
  1769 CA   GLU    226      0.0112     11.1619      9.2800
  1778 CA   ALA    227      0.0110     11.1091      8.3100
  1783 CA   ALA    228      0.0192     13.7400      8.6600
  1788 CA   THR    229      0.0178     13.2933     11.0400
  1795 CA   PHE    230      0.0134     11.8940      9.6000
  1806 CA   ALA    231      0.0164     12.8395     11.6000
  1811 CA   ARG    232      0.0279     16.5800     15.9100
  1822 CA   GLU    233      0.0247     15.5470     14.7400
  1831 CA   GLN    234      0.0236     15.1870     15.4700
  1840 CA   GLY    235      0.0370     19.5192     16.0400
  1844 CA   PHE    236      0.0348     18.8002     16.8600
  1855 CA   GLU    237      0.0619     27.5798     22.7100
  1864 CA   THR    238      0.0437     21.6960     20.4900
  1871 CA   LYS    239      0.0461     22.4763     18.6600
  1880 CA   ASP    240      0.0321     17.9216     17.2200
  1888 CA   ILE    241      0.0175     13.2064     14.4000
  1896 CA   LYS    242      0.0193     13.7788     15.2100
  1905 CA   GLU    243      0.0224     14.8058     14.1400
  1914 CA   ILE    244      0.0136     11.9463      9.6400
  1922 CA   ALA    245      0.0117     11.3421     10.0500
  1927 CA   LYS    246      0.0168     12.9783     12.9000
  1936 CA   LYS    247      0.0177     13.2837     13.2800
  1945 CA   THR    248      0.0112     11.1582     10.7800
  1952 CA   GLN    249      0.0107     11.0117     12.1000
  1961 CA   ALA    250      0.0172     13.1137     14.0900
  1966 CA   LEU    251      0.0163     12.8180     13.9300
  1974 CA   PRO    252      0.0237     15.1995     16.8200
  1981 CA   LYS    253      0.0164     12.8355     16.8800
  1990 CA   MET    254      0.0217     14.5633     20.4700
  1998 CA   ASN    255      0.0205     14.1860     24.1300
  2006 CA   SER    256      0.0579     26.2794     25.8300
  2012 CA   LYS    257      0.0480     23.0739     24.4400
  2021 CA   ARG    258      0.0213     14.4365     19.0100
  2032 CA   GLN    259      0.0243     15.4083     18.1500
  2041 CA   ARG    260      0.0087     10.3461     12.3400
  2052 CA   ILE    261      0.0082     10.1954      9.7000
  2060 CA   VAL    262      0.0064      9.6171      9.8200
  2067 CA   ILE    263      0.0063      9.5739      9.4600
  2075 CA   PHE    264      0.0079     10.0930     10.0200
  2086 CA   THR    265      0.0110     11.0866      9.7500
  2093 CA   GLN    266      0.0222     14.7177      8.6200
  2102 CA   GLY    267      0.0320     17.8865      9.7000
  2106 CA   ARG    268      0.0372     19.5799     10.7800
  2117 CA   ASP    269      0.0328     18.1717     11.5100
  2125 CA   ASP    270      0.0202     14.0868     10.4300
  2133 CA   THR    271      0.0132     11.8160      9.2500
  2140 CA   ILE    272      0.0115     11.2712      9.7100
  2148 CA   MET    273      0.0104     10.9012     11.1000
  2156 CA   ALA    274      0.0117     11.3365     11.2500
  2161 CA   THR    275      0.0157     12.6110     15.9900
  2168 CA   GLU    276      0.0387     20.0830     22.9100
  2177 CA   SER    277      0.0779     32.7485     26.3800
  2183 CA   GLU    278      0.0403     20.5968     21.1100
  2192 CA   VAL    279      0.0214     14.4544     16.5400
  2199 CA   THR    280      0.0213     14.4442     18.2000
  2206 CA   ALA    281      0.0199     13.9845     12.8500
  2211 CA   PHE    282      0.0178     13.2876      9.6600
  2222 CA   ALA    283      0.0270     16.2898      9.2400
  2227 CA   VAL    284      0.0298     17.1816     10.0900
  2234 CA   LEU    285      0.0583     26.4048     11.7500
  2242 CA   ASP    286      0.0345     18.7198     14.9000
  2250 CA   GLN    287      0.0389     20.1197     13.7800
  2259 CA   ASP    288      0.0526     24.5640     20.6700
  2267 CA   GLN    289      0.0535     24.8529     14.7000
  2276 CA   LYS    290      0.0925     37.4714     14.0900
  2285 CA   GLU    291      0.0562     25.7205     13.3300
  2294 CA   ILE    292      0.0280     16.6087     10.9800
  2302 CA   ILE    293      0.0252     15.6861     12.6100
  2310 CA   ASP    294      0.0156     12.5812     13.0600
  2318 CA   THR    295      0.0183     13.4549     13.9400
  2325 CA   ASN    296      0.0146     12.2628     11.8400
  2333 CA   GLY    297      0.0119     11.3986      9.3800
  2337 CA   ALA    298      0.0097     10.6957      8.2100
  2342 CA   GLY    299      0.0087     10.3640      6.0100
  2346 CA   ASP    300      0.0058      9.4337      6.7500
  2354 CA   ALA    301      0.0054      9.2893      7.4700
  2359 CA   PHE    302      0.0054      9.2933      6.3400
  2370 CA   VAL    303      0.0048      9.0859      8.0900
  2377 CA   GLY    304      0.0052      9.2141      8.0700
  2381 CA   GLY    305      0.0054      9.2771      8.3800
  2385 CA   PHE    306      0.0055      9.3210      7.6000
  2396 CA   LEU    307      0.0054      9.2806     10.1600
  2404 CA   SER    308      0.0088     10.4048     10.3700
  2410 CA   GLN    309      0.0094     10.5995     10.9000
  2419 CA   LEU    310      0.0098     10.7048     15.2300
  2427 CA   VAL    311      0.0120     11.4180     17.2400
  2434 CA   SER    312      0.0330     18.2320     21.0900
  2440 CA   ASP    313      0.0537     24.9102     19.3800
  2448 CA   LYS    314      0.0284     16.7270     11.3400
  2457 CA   PRO    315      0.0416     20.9966      9.2500
  2464 CA   LEU    316      0.0166     12.9164      8.1600
  2472 CA   THR    317      0.0194     13.8108      8.7200
  2479 CA   GLU    318      0.0169     12.9959      9.6000
  2488 CA   CYS    319      0.0102     10.8384      8.2500
  2494 CA   ILE    320      0.0107     10.9977      7.9400
  2502 CA   ARG    321      0.0129     11.7313      6.5800
  2513 CA   ALA    322      0.0087     10.3459      6.2600
  2518 CA   GLY    323      0.0073      9.9200      6.8100
  2522 CA   HIS    324      0.0096     10.6486      6.7200
  2532 CA   TYR    325      0.0093     10.5404      7.3500
  2544 CA   ALA    326      0.0071      9.8408      7.4600
  2549 CA   ALA    327      0.0081     10.1696      8.2600
  2554 CA   SER    328      0.0122     11.5000      9.1200
  2560 CA   ILE    329      0.0115     11.2544     10.4200
  2568 CA   ILE    330      0.0103     10.8655     10.0700
  2576 CA   ILE    331      0.0131     11.7683      8.9300
  2584 CA   ARG    332      0.0176     13.2494     12.6100
  2595 CA   ARG    333      0.0178     13.2962     15.3900
  2606 CA   THR    334      0.0176     13.2425     20.1800
  2613 CA   GLY    335      0.0163     12.8319     23.2600
  2617 CA   CYS    336      0.0114     11.2449     27.2000
  2623 CA   THR    337      0.0153     12.5096     24.0200
  2630 CA   PHE    338      0.0181     13.4049     23.8400
  2641 CA   PRO    339      0.0264     16.0956     25.7200
  2648 CA   GLU    340      0.0648     28.5112     28.2500
  2657 CA   LYS    341      0.0374     19.6546     22.6400
  2666 CA   PRO    342      0.0193     13.7763     19.3800
  2673 CA   ASP    343      0.0389     20.1412     24.4300
  2681 CA   PHE    344      0.0288     16.8736     24.2400
  2692 CA   HIS    345      0.0798     33.3837     28.3900

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.