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B-factor analysis for ID EXAMPLE3

Overall B-factor prediction

Correlation= .524 for 220 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   LEU      5       .0349     18.0021     15.7400
    10 CA   VAL      6       .0297     16.2962     13.5700
    17 CA   VAL      7       .0166     12.0348      9.0100
    24 CA   ALA      8       .0183     12.5850     13.7900
    29 CA   THR      9       .0176     12.3592      9.7600
    36 CA   ASP     10       .0254     14.8994     13.7400
    44 CA   THR     11       .0377     18.9087     17.9100
    51 CA   ALA     12       .0386     19.2172     15.0700
    56 CA   PHE     13       .0250     14.7877     16.3100
    67 CA   VAL     14       .0252     14.8425      9.3000
    74 CA   PRO     15       .0177     12.4034     11.7200
    81 CA   PHE     16       .0134     10.9874      8.0600
    92 CA   GLU     17       .0161     11.8773      6.6700
   101 CA   PHE     18       .0257     15.0025      9.5000
   112 CA   LYS     19       .0562     24.9251     18.5300
   121 CA   GLN     20       .0795     32.5228     18.8400
   130 CA   GLY     21       .2401     84.7854     24.6500
   134 CA   ASP     22       .2064     73.8241     28.0100
   142 CA   LEU     23       .0798     32.6160     21.6200
   150 CA   TYR     24       .0376     18.8784     11.9400
   162 CA   VAL     25       .0237     14.3589     14.0600
   169 CA   GLY     26       .0159     11.8194     14.1300
   173 CA   PHE     27       .0107     10.1199      6.4400
   184 CA   ASP     28       .0087      9.4711     14.9900
   192 CA   VAL     29       .0108     10.1451     11.1800
   199 CA   ASP     30       .0116     10.4180     10.8500
   207 CA   LEU     31       .0095      9.7233      9.6200
   215 CA   TRP     32       .0079      9.2000      6.7000
   229 CA   ALA     33       .0173     12.2729      5.5100
   234 CA   ALA     34       .0211     13.5179      3.7400
   239 CA   ILE     35       .0167     12.0785      9.2600
   247 CA   ALA     36       .0237     14.3595      9.5600
   252 CA   LYS     37       .0425     20.4703     15.2000
   261 CA   GLU     38       .0420     20.3098     13.1400
   270 CA   LEU     39       .0462     21.6591     13.1100
   278 CA   LYS     40       .0763     31.4836     19.7300
   287 CA   LEU     41       .0481     22.2899     14.7000
   295 CA   ASP     42       .0734     30.5367     12.4700
   303 CA   TYR     43       .0380     19.0195      7.9500
   315 CA   GLU     44       .0415     20.1409      8.7300
   324 CA   LEU     45       .0281     15.7891     17.2400
   332 CA   LYS     46       .0344     17.8244     16.8300
   341 CA   PRO     47       .0336     17.5804     15.4300
   348 CA   MET     48       .0417     20.1990     19.3200
   356 CA   ASP     49       .0666     28.3239     17.0800
   364 CA   PHE     50       .0465     21.7725     13.2200
   375 CA   SER     51       .0920     36.5722     27.1300
   381 CA   GLY     52       .0725     30.2498     22.6100
   385 CA   ILE     53       .0344     17.8369     16.0400
   393 CA   ILE     54       .0382     19.0731     13.5600
   401 CA   PRO     55       .0630     27.1463     24.0600
   408 CA   ALA     56       .0507     23.1370     18.0000
   413 CA   LEU     57       .0316     16.9107     14.3300
   421 CA   GLN     58       .0470     21.9242     22.6600
   430 CA   THR     59       .0763     31.4590     19.8100
   437 CA   LYS     60       .0591     25.8751     23.0200
   446 CA   ASN     61       .0694     29.2352     25.3300
   454 CA   VAL     62       .0357     18.2524     20.6400
   461 CA   ASP     63       .0232     14.2032     15.2800
   469 CA   LEU     64       .0138     11.1307      7.1400
   477 CA   ALA     65       .0095      9.7429      8.9300
   482 CA   LEU     66       .0080      9.2298      9.2900
   490 CA   ALA     67       .0141     11.2398     13.3900
   495 CA   GLY     68       .0160     11.8599     11.3300
   499 CA   ILE     69       .0184     12.6262     15.2000
   507 CA   THR     70       .0250     14.7901     18.6500
   514 CA   ILE     71       .0312     16.7878     17.6400
   522 CA   THR     72       .0547     24.4362     19.6800
   529 CA   ASP     73       .1048     40.7518     22.4100
   537 CA   GLU     74       .1120     43.1011     24.5200
   546 CA   ARG     75       .0484     22.3790     13.7700
   557 CA   LYS     76       .0484     22.4062     14.8600
   566 CA   LYS     77       .0831     33.6976     23.4800
   575 CA   ALA     78       .0572     25.2662     15.0100
   580 CA   ILE     79       .0299     16.3546     14.3500
   588 CA   ASP     80       .0244     14.5885     11.3000
   596 CA   PHE     81       .0149     11.4998     15.6200
   607 CA   SER     82       .0146     11.3886     12.5600
   613 CA   ASP     83       .0172     12.2418     11.9700
   621 CA   GLY     84       .0182     12.5530      8.9500
   625 CA   TYR     85       .0120     10.5598     10.6900
   637 CA   TYR     86       .0143     11.3016     14.1500
   649 CA   LYS     87       .0244     14.5680     14.9100
   658 CA   SER     88       .0232     14.2010     19.4000
   664 CA   GLY     89       .0290     16.0816     23.4400
   668 CA   LEU     90       .0220     13.8044     21.4700
   676 CA   LEU     91       .0155     11.6718     21.4400
   684 CA   VAL     92       .0118     10.4871     22.4900
   691 CA   MET     93       .0108     10.1543     19.9500
   699 CA   VAL     94       .0140     11.1961     16.7100
   706 CA   LYS     95       .0284     15.8684     27.2600
   715 CA   ALA     96       .0442     21.0152     32.5500
   720 CA   ASN     97       .0839     33.9561     44.2000
   728 CA   ASN     98       .0634     27.2767     42.4200
   736 CA   ASN     99       .1100     42.4309     45.3000
   744 CA   ASP    100       .0958     37.8180     40.4700
   752 CA   VAL    101       .0478     22.1845     36.0600
   759 CA   LYS    102       .0515     23.4145     39.0800
   768 CA   SER    103       .0449     21.2664     38.1600
   774 CA   VAL    104       .0587     25.7397     30.7000
   781 CA   LYS    105       .0389     19.2935     35.7800
   790 CA   ASP    106       .0533     23.9738     41.8900
   798 CA   LEU    107       .1047     40.7152     52.8300
   806 CA   ASP    108       .1214     46.1443     60.3600
   814 CA   GLY    109       .0788     32.2767     56.8600
   818 CA   LYS    110       .0436     20.8329     40.8200
   827 CA   VAL    111       .0300     16.4137     29.6800
   834 CA   VAL    112       .0196     13.0157     22.2400
   841 CA   ALA    113       .0220     13.8152     18.1000
   846 CA   VAL    114       .0281     15.7861     20.5200
   853 CA   LYS    115       .0514     23.3648     18.5100
   862 CA   SER    116       .0826     33.5348     22.1700
   868 CA   GLY    117       .1161     44.4338     30.4600
   872 CA   THR    118       .0888     35.5429     27.4100
   879 CA   GLY    119       .0702     29.4878     22.2500
   883 CA   SER    120       .0393     19.4158     25.1500
   889 CA   VAL    121       .0550     24.5445     22.5800
   896 CA   ASP    122       .0790     32.3377     25.5600
   904 CA   TYR    123       .0490     22.5707     28.0600
   916 CA   ALA    124       .0392     19.3906     31.8200
   921 CA   LYS    125       .0713     29.8570     33.8100
   930 CA   ALA    126       .0912     36.3069     34.5600
   935 CA   ASN    127       .0637     27.3543     33.8900
   943 CA   ILE    128       .0495     22.7411     34.4100
   951 CA   LYS    129       .0703     29.5067     39.9800
   960 CA   THR    130       .0468     21.8555     38.2700
   967 CA   LYS    131       .0693     29.1991     38.9800
   976 CA   ASP    132       .0597     26.0646     33.2800
   984 CA   LEU    133       .0419     20.2700     26.6900
   992 CA   ARG    134       .0468     21.8645     19.6700
  1003 CA   GLN    135       .0581     25.5616     19.2900
  1012 CA   PHE    136       .0668     28.3830     20.5500
  1023 CA   PRO    137       .1118     43.0085     25.3700
  1030 CA   ASN    138       .0850     34.3004     25.5600
  1038 CA   ILE    139       .0426     20.5122     21.2400
  1046 CA   ASP    140       .0558     24.8144     20.9200
  1054 CA   ASN    141       .0585     25.6634     19.9100
  1062 CA   ALA    142       .0320     17.0489     19.1100
  1067 CA   TYR    143       .0261     15.1241     22.0600
  1079 CA   MET    144       .0463     21.7009     23.3300
  1087 CA   GLU    145       .0384     19.1274     24.7900
  1096 CA   LEU    146       .0247     14.6852     20.8900
  1104 CA   GLY    147       .0496     22.7691     27.5800
  1108 CA   THR    148       .0713     29.8438     25.2500
  1115 CA   ASN    149       .0680     28.7764     28.5700
  1123 CA   ARG    150       .0572     25.2604     38.3000
  1134 CA   ALA    151       .0267     15.3224     28.4600
  1139 CA   ASP    152       .0224     13.9385     28.2700
  1147 CA   ALA    153       .0106     10.0989     29.6600
  1152 CA   VAL    154       .0093      9.6614     26.2700
  1159 CA   LEU    155       .0106     10.0894     23.7000
  1167 CA   HIS    156       .0167     12.0657     14.3500
  1177 CA   ASP    157       .0212     13.5283     18.7100
  1185 CA   THR    158       .0203     13.2625     15.2200
  1192 CA   PRO    159       .0206     13.3523     12.7300
  1199 CA   ASN    160       .0201     13.1914     12.9100
  1207 CA   ILE    161       .0170     12.1684      9.5600
  1215 CA   LEU    162       .0182     12.5721     17.6800
  1223 CA   TYR    163       .0197     13.0392     17.5700
  1235 CA   PHE    164       .0196     13.0075     17.4500
  1246 CA   ILE    165       .0236     14.3077     12.0700
  1254 CA   LYS    166       .0250     14.7716     19.6700
  1263 CA   THR    167       .0498     22.8473     20.0700
  1270 CA   ALA    168       .0576     25.3964     26.5800
  1275 CA   GLY    169       .0447     21.1993     31.5900
  1279 CA   ASN    170       .0659     28.0887     44.4900
  1287 CA   GLY    171       .0959     37.8618     36.0500
  1291 CA   GLN    172       .0544     24.3389     32.1200
  1300 CA   PHE    173       .0248     14.7067     24.9600
  1311 CA   LYS    174       .0285     15.9116     22.9100
  1320 CA   ALA    175       .0221     13.8420     20.2400
  1325 CA   VAL    176       .0297     16.3008     19.5700
  1332 CA   GLY    177       .0472     22.0075     28.5100
  1336 CA   ASP    178       .0390     19.3277     32.5900
  1344 CA   SER    179       .0296     16.2838     25.0100
  1350 CA   LEU    180       .0331     17.4118     20.6700
  1358 CA   GLU    181       .0506     23.1191     27.3900
  1367 CA   ALA    182       .0403     19.7523     22.1800
  1372 CA   GLN    183       .0356     18.2324     25.2000
  1381 CA   GLN    184       .0234     14.2568     20.1400
  1390 CA   TYR    185       .0140     11.1970     12.1100
  1402 CA   GLY    186       .0114     10.3650      7.5500
  1406 CA   ILE    187       .0079      9.2044     14.8800
  1414 CA   ALA    188       .0112     10.2725     10.3700
  1419 CA   PHE    189       .0158     11.7807      9.1000
  1430 CA   PRO    190       .0263     15.2057     13.2100
  1437 CA   LYS    191       .0419     20.2860     20.6600
  1446 CA   GLY    192       .0593     25.9347     22.2300
  1450 CA   SER    193       .0407     19.8699     28.3100
  1456 CA   ASP    194       .0512     23.2943     23.4400
  1464 CA   GLU    195       .0660     28.1244     21.5100
  1473 CA   LEU    196       .0349     17.9945     19.0200
  1481 CA   ARG    197       .0228     14.0715     14.4700
  1492 CA   ASP    198       .0372     18.7482     17.9300
  1500 CA   LYS    199       .0370     18.6883     11.6900
  1509 CA   VAL    200       .0193     12.9230      8.9400
  1516 CA   ASN    201       .0227     14.0365      8.3400
  1524 CA   GLY    202       .0328     17.3031      8.3300
  1528 CA   ALA    203       .0245     14.6135     13.6800
  1533 CA   LEU    204       .0190     12.8127     14.3700
  1541 CA   LYS    205       .0441     21.0032      9.8000
  1550 CA   THR    206       .0431     20.6742     11.6400
  1557 CA   LEU    207       .0268     15.3722      9.4300
  1565 CA   ARG    208       .0337     17.5914     13.0800
  1576 CA   GLU    209       .0847     34.2087     11.7900
  1585 CA   ASN    210       .0831     33.6796      9.2900
  1593 CA   GLY    211       .0516     23.4284      8.2100
  1597 CA   THR    212       .0345     17.8813     12.4800
  1604 CA   TYR    213       .0226     14.0058     11.1700
  1616 CA   ASN    214       .0298     16.3383     16.5700
  1624 CA   GLU    215       .0316     16.9186     14.0000
  1633 CA   ILE    216       .0195     12.9775     10.0300
  1641 CA   TYR    217       .0184     12.6167     11.3500
  1653 CA   LYS    218       .0265     15.2644     17.5100
  1662 CA   LYS    219       .0229     14.0875     11.3100
  1671 CA   TRP    220       .0189     12.7905     18.2800
  1685 CA   PHE    221       .0212     13.5481     14.9700
  1696 CA   GLY    222       .0309     16.6864     21.8400
  1700 CA   THR    223       .0519     23.5209     32.2800
  1707 CA   GLU    224       .0563     24.9570     33.2800

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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.