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***  AMINO-ACID BINDING PROTEIN 25-FEB-93 2LAO  ***

B-factor analysis for ID 21073117061364583

Overall B-factor prediction

Correlation= 0.549 for 238 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   ALA      1      0.1511     56.9151     53.0600
     7 CA   LEU      2      0.0701     38.1106     49.3800
    15 CA   PRO      3      0.0602     35.8030     45.7800
    22 CA   GLN      4      0.0917     43.1085     46.4500
    27 CA   THR      5      0.0459     32.4904     40.1100
    34 CA   VAL      6      0.0253     27.7053     29.2700
    41 CA   ARG      7      0.0230     27.1685     22.9900
    52 CA   ILE      8      0.0142     25.1327     22.8700
    60 CA   GLY      9      0.0178     25.9618     19.6800
    64 CA   THR     10      0.0181     26.0293     24.4000
    71 CA   ASP     11      0.0301     28.8104     24.5000
    79 CA   THR     12      0.0308     28.9745     27.6600
    86 CA   THR     13      0.0475     32.8506     26.5400
    93 CA   TYR     14      0.0327     29.4100     32.4300
   105 CA   ALA     15      0.0303     28.8552     28.0200
   110 CA   PRO     16      0.0224     27.0341     27.1800
   117 CA   PHE     17      0.0146     25.2095     23.9300
   128 CA   SER     18      0.0174     25.8583     24.1800
   134 CA   SER     19      0.0375     30.5272     28.2400
   140 CA   LYS     20      0.0482     33.0266     30.5600
   149 CA   ASP     21      0.1208     49.8652     33.4900
   157 CA   ALA     22      0.2498     79.8136     34.6000
   162 CA   LYS     23      0.2232     73.6342     39.5500
   171 CA   GLY     24      0.1510     56.8774     34.9500
   175 CA   GLU     25      0.0691     37.8602     31.3800
   184 CA   PHE     26      0.0320     29.2496     25.2400
   195 CA   ILE     27      0.0263     27.9305     22.5400
   203 CA   GLY     28      0.0198     26.4330     23.4400
   207 CA   PHE     29      0.0110     24.3896     23.6100
   218 CA   ASP     30      0.0091     23.9397     19.3300
   226 CA   ILE     31      0.0110     24.3856     23.2900
   234 CA   ASP     32      0.0118     24.5627     23.9500
   242 CA   LEU     33      0.0075     23.5749     24.2100
   250 CA   GLY     34      0.0087     23.8376     22.5700
   254 CA   ASN     35      0.0143     25.1375     23.2400
   262 CA   GLU     36      0.0153     25.3899     26.4900
   271 CA   MET     37      0.0122     24.6506     25.4600
   279 CA   CYS     38      0.0175     25.8869     27.9400
   285 CA   LYS     39      0.0329     29.4746     32.4600
   294 CA   ARG     40      0.0276     28.2363     32.2100
   305 CA   MET     41      0.0346     29.8522     30.9100
   313 CA   GLN     42      0.0563     34.9064     34.5300
   322 CA   VAL     43      0.0420     31.5812     35.5900
   329 CA   LYS     44      0.0477     32.9040     33.4000
   334 CA   CYS     45      0.0261     27.8962     32.2000
   340 CA   THR     46      0.0307     28.9642     29.4900
   347 CA   TRP     47      0.0204     26.5621     26.7800
   361 CA   VAL     48      0.0281     28.3430     25.3700
   368 CA   ALA     49      0.0345     29.8335     27.1200
   373 CA   SER     50      0.0412     31.4023     31.5400
   379 CA   ASP     51      0.0626     36.3519     34.2900
   387 CA   PHE     52      0.0448     32.2206     30.6400
   398 CA   ASP     53      0.0876     42.1742     38.0900
   406 CA   ALA     54      0.0672     37.4379     26.9400
   411 CA   LEU     55      0.0315     29.1493     24.5200
   419 CA   ILE     56      0.0324     29.3582     28.7000
   427 CA   PRO     57      0.0551     34.6118     29.9900
   434 CA   SER     58      0.0439     32.0283     26.9700
   440 CA   LEU     59      0.0269     28.0722     25.3700
   448 CA   LYS     60      0.0391     30.9144     25.8500
   457 CA   ALA     61      0.0699     38.0524     23.5200
   462 CA   LYS     62      0.0529     34.1130     24.3000
   471 CA   LYS     63      0.0522     33.9434     25.1400
   480 CA   ILE     64      0.0285     28.4535     21.0400
   488 CA   ASP     65      0.0183     26.0838     21.6100
   496 CA   ALA     66      0.0120     24.6148     22.6800
   501 CA   ILE     67      0.0100     24.1619     21.0700
   509 CA   ILE     68      0.0082     23.7433     21.2800
   517 CA   SER     69      0.0136     24.9749     22.4600
   523 CA   SER     70      0.0152     25.3655     21.2100
   529 CA   LEU     71      0.0160     25.5488     23.1900
   537 CA   SER     72      0.0188     26.2009     25.1200
   543 CA   ILE     73      0.0200     26.4746     26.8700
   551 CA   THR     74      0.0278     28.2860     32.9600
   558 CA   ASP     75      0.0543     34.4379     44.0600
   566 CA   LYS     76      0.0655     37.0388     43.8600
   575 CA   ARG     77      0.0331     29.5083     36.2600
   586 CA   GLN     78      0.0320     29.2525     36.7000
   595 CA   GLN     79      0.0562     34.8741     44.9800
   604 CA   GLU     80      0.0472     32.7767     41.8300
   613 CA   ILE     81      0.0236     27.3148     29.0500
   621 CA   ALA     82      0.0200     26.4822     24.5700
   626 CA   PHE     83      0.0120     24.6121     24.8600
   637 CA   SER     84      0.0119     24.5965     23.8100
   643 CA   ASP     85      0.0145     25.1963     23.6700
   651 CA   LYS     86      0.0130     24.8449     26.1900
   660 CA   LEU     87      0.0092     23.9735     25.0000
   668 CA   TYR     88      0.0131     24.8721     25.0600
   680 CA   ALA     89      0.0174     25.8626     24.1800
   685 CA   ALA     90      0.0173     25.8403     25.1000
   690 CA   ASP     91      0.0186     26.1402     22.3600
   698 CA   SER     92      0.0151     25.3401     24.1700
   704 CA   ARG     93      0.0112     24.4343     20.4600
   715 CA   LEU     94      0.0079     23.6736     25.3400
   723 CA   ILE     95      0.0112     24.4194     27.7500
   731 CA   ALA     96      0.0178     25.9617     25.0400
   736 CA   ALA     97      0.0415     31.4600     26.7600
   741 CA   LYS     98      0.0663     37.2200     31.3300
   750 CA   GLY     99      0.1546     57.7259     32.5900
   754 CA   SER    100      0.0697     37.9978     32.1400
   760 CA   PRO    101      0.0913     43.0221     30.1100
   767 CA   ILE    102      0.0378     30.6008     29.3900
   775 CA   GLN    103      0.0341     29.7502     28.4600
   784 CA   PRO    104      0.0265     27.9824     27.0400
   791 CA   THR    105      0.0487     33.1405     29.7300
   798 CA   LEU    106      0.0463     32.5714     34.6100
   806 CA   GLU    107      0.0884     42.3474     41.8600
   815 CA   SER    108      0.0575     35.1772     33.6500
   821 CA   LEU    109      0.0331     29.5120     31.2800
   829 CA   LYS    110      0.0533     34.2088     46.0800
   838 CA   GLY    111      0.0620     36.2248     47.5400
   842 CA   LYS    112      0.0390     30.8802     40.4600
   851 CA   HIS    113      0.0302     28.8284     33.7600
   861 CA   VAL    114      0.0177     25.9294     27.1700
   868 CA   GLY    115      0.0206     26.6149     21.4000
   872 CA   VAL    116      0.0233     27.2454     26.5800
   879 CA   LEU    117      0.0446     32.1906     31.6600
   887 CA   GLN    118      0.0725     38.6661     32.6300
   896 CA   GLY    119      0.0948     43.8440     33.8700
   900 CA   SER    120      0.0654     37.0153     32.0300
   906 CA   THR    121      0.0354     30.0552     28.7700
   913 CA   GLN    122      0.0216     26.8333     26.2500
   922 CA   GLU    123      0.0311     29.0537     27.2000
   931 CA   ALA    124      0.0384     30.7509     25.8900
   936 CA   TYR    125      0.0246     27.5458     27.1100
   948 CA   ALA    126      0.0207     26.6400     30.6100
   953 CA   ASN    127      0.0373     30.4817     35.2000
   961 CA   ASP    128      0.0442     32.0823     38.7600
   969 CA   ASN    129      0.0324     29.3515     35.8900
   977 CA   TRP    130      0.0276     28.2261     29.4000
   991 CA   ARG    131      0.0412     31.3854     28.4300
  1002 CA   THR    132      0.0666     37.2910     28.4000
  1009 CA   LYS    133      0.0672     37.4266     29.7600
  1018 CA   GLY    134      0.0657     37.0737     36.6400
  1022 CA   VAL    135      0.0358     30.1404     32.7500
  1029 CA   ASP    136      0.0407     31.2795     29.9300
  1037 CA   VAL    137      0.0300     28.8016     27.9800
  1044 CA   VAL    138      0.0395     30.9991     28.4200
  1051 CA   ALA    139      0.0499     33.4060     27.2200
  1056 CA   TYR    140      0.0581     35.3188     30.3200
  1068 CA   ALA    141      0.1133     48.1347     32.7800
  1073 CA   ASN    142      0.0939     43.6191     40.8400
  1081 CA   GLN    143      0.0596     35.6656     43.9800
  1090 CA   ASP    144      0.0795     40.2852     44.7100
  1098 CA   LEU    145      0.0679     37.5918     37.2400
  1106 CA   ILE    146      0.0368     30.3746     34.8500
  1114 CA   TYR    147      0.0351     29.9719     32.9200
  1126 CA   SER    148      0.0557     34.7498     38.6000
  1132 CA   ASP    149      0.0479     32.9513     34.7400
  1140 CA   LEU    150      0.0311     29.0407     35.6900
  1148 CA   THR    151      0.0535     34.2441     40.4700
  1155 CA   ALA    152      0.0836     41.2473     40.4400
  1160 CA   GLY    153      0.0794     40.2599     35.1600
  1164 CA   ARG    154      0.0687     37.7867     39.4500
  1175 CA   LEU    155      0.0304     28.8795     29.7800
  1183 CA   ASP    156      0.0272     28.1453     29.3000
  1191 CA   ALA    157      0.0126     24.7431     25.6800
  1196 CA   ALA    158      0.0108     24.3462     24.1800
  1201 CA   LEU    159      0.0082     23.7347     23.3000
  1209 CA   GLN    160      0.0130     24.8461     27.9800
  1218 CA   ASP    161      0.0189     26.2226     22.8100
  1226 CA   GLU    162      0.0178     25.9501     25.0700
  1235 CA   VAL    163      0.0204     26.5671     26.2700
  1242 CA   ALA    164      0.0238     27.3568     30.4700
  1247 CA   ALA    165      0.0206     26.6033     28.3800
  1252 CA   SER    166      0.0234     27.2544     36.4100
  1258 CA   GLU    167      0.0269     28.0820     41.2100
  1267 CA   GLY    168      0.0373     30.4848     42.6800
  1271 CA   PHE    169      0.0317     29.1993     33.7500
  1282 CA   LEU    170      0.0272     28.1467     35.0600
  1290 CA   LYS    171      0.0445     32.1669     45.8600
  1299 CA   GLN    172      0.0643     36.7529     52.3900
  1308 CA   PRO    173      0.1063     46.4946     51.7100
  1315 CA   ALA    174      0.0737     38.9326     49.1800
  1320 CA   GLY    175      0.0456     32.4262     42.9900
  1324 CA   LYS    176      0.0759     39.4458     41.8200
  1333 CA   GLU    177      0.0621     36.2536     36.6500
  1342 CA   TYR    178      0.0338     29.6709     30.4800
  1354 CA   ALA    179      0.0250     27.6382     23.4700
  1359 CA   PHE    180      0.0178     25.9602     22.6000
  1370 CA   ALA    181      0.0221     26.9586     21.5500
  1375 CA   GLY    182      0.0301     28.8200     21.3600
  1379 CA   PRO    183      0.0339     29.6980     20.9900
  1386 CA   SER    184      0.0209     26.6724     26.8600
  1392 CA   VAL    185      0.0180     26.0004     32.4900
  1399 CA   LYS    186      0.0237     27.3387     36.6300
  1408 CA   ASP    187      0.0301     28.8183     39.6900
  1416 CA   LYS    188      0.0252     27.6882     38.2200
  1425 CA   LYS    189      0.0459     32.4819     34.4400
  1434 CA   TYR    190      0.0332     29.5389     32.9000
  1446 CA   PHE    191      0.0221     26.9643     27.5800
  1457 CA   GLY    192      0.0278     28.2782     28.7800
  1461 CA   ASP    193      0.0212     26.7602     32.5000
  1469 CA   GLY    194      0.0183     26.0835     24.4200
  1473 CA   THR    195      0.0126     24.7567     21.3300
  1480 CA   GLY    196      0.0092     23.9583     17.9200
  1484 CA   VAL    197      0.0074     23.5413     18.0100
  1491 CA   GLY    198      0.0105     24.2572     19.7800
  1495 CA   LEU    199      0.0133     24.9151     22.1700
  1503 CA   ARG    200      0.0206     26.6156     25.8900
  1514 CA   LYS    201      0.0391     30.9010     29.6700
  1523 CA   ASP    202      0.0486     33.1090     34.4000
  1531 CA   ASP    203      0.0336     29.6364     32.5600
  1539 CA   THR    204      0.0443     32.1225     30.6100
  1546 CA   GLU    205      0.0468     32.6984     31.1500
  1555 CA   LEU    206      0.0242     27.4401     28.2500
  1563 CA   LYS    207      0.0191     26.2733     28.5900
  1572 CA   ALA    208      0.0276     28.2322     25.7700
  1577 CA   ALA    209      0.0217     26.8725     23.1600
  1582 CA   PHE    210      0.0128     24.8026     25.0900
  1593 CA   ASP    211      0.0182     26.0544     27.1500
  1601 CA   LYS    212      0.0273     28.1577     30.6000
  1610 CA   ALA    213      0.0187     26.1727     27.4000
  1615 CA   LEU    214      0.0147     25.2492     25.9100
  1623 CA   THR    215      0.0345     29.8430     33.1500
  1630 CA   GLU    216      0.0348     29.8982     36.3300
  1639 CA   LEU    217      0.0214     26.8061     30.9100
  1647 CA   ARG    218      0.0234     27.2557     33.8100
  1658 CA   GLN    219      0.0687     37.7721     43.3900
  1667 CA   ASP    220      0.0639     36.6618     37.1000
  1675 CA   GLY    221      0.0459     32.4847     36.8300
  1679 CA   THR    222      0.0305     28.9185     33.2700
  1686 CA   TYR    223      0.0192     26.2941     29.5400
  1698 CA   ASP    224      0.0319     29.2385     34.7700
  1706 CA   LYS    225      0.0375     30.5309     33.6600
  1711 CA   MET    226      0.0214     26.8041     33.4400
  1719 CA   ALA    227      0.0211     26.7255     32.8100
  1724 CA   LYS    228      0.0397     31.0355     40.9900
  1733 CA   LYS    229      0.0307     28.9654     37.6400
  1742 CA   TYR    230      0.0262     27.9228     31.3800
  1754 CA   PHE    231      0.0276     28.2302     34.9800
  1765 CA   ASP    232      0.0466     32.6397     44.4300
  1773 CA   PHE    233      0.0371     30.4412     37.5200
  1784 CA   ASN    234      0.0331     29.5045     32.5300
  1792 CA   VAL    235      0.0209     26.6808     28.2900
  1799 CA   TYR    236      0.0196     26.3796     24.6000
  1811 CA   GLY    237      0.0373     30.4839     35.4300
  1815 CA   ASP    238      0.0716     38.4560     53.2600

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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.