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***  3pf9_Mono_no_lig  ***

B-factor analysis for ID 21071519051674083

Overall B-factor prediction

Correlation= 0.556 for 256 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   ASN     -5      0.0282     31.4740     28.6200
    10 CA   LEU     -4      0.0506     38.6722     32.2200
    18 CA   TYR     -3      0.0794     47.9262     28.8800
    30 CA   PHE     -2      0.0510     38.8139     27.7600
    41 CA   GLN     -1      0.0288     31.6623     30.9600
    50 CA   GLY      0      0.0317     32.6172     34.3300
    54 CA   MET      1      0.0215     29.3401     39.9700
    62 CA   ALA      2      0.0256     30.6318     41.9400
    67 CA   THR      3      0.0216     29.3585     43.5200
    74 CA   ILE      4      0.0164     27.6860     39.8200
    82 CA   THR      5      0.0164     27.6976     35.0700
    89 CA   LEU      6      0.0152     27.3084     31.4400
    97 CA   GLU      7      0.0261     30.7892     33.4800
   106 CA   ARG      8      0.0202     28.9136     28.2300
   117 CA   ASP      9      0.0659     43.5947     30.7700
   125 CA   GLY     10      0.0711     45.2660     33.7900
   129 CA   LEU     11      0.0230     29.8136     31.0300
   137 CA   GLN     12      0.0202     28.9240     30.5700
   146 CA   LEU     13      0.0101     25.6643     28.6800
   154 CA   VAL     14      0.0112     26.0187     30.3500
   161 CA   GLY     15      0.0094     25.4467     30.4500
   165 CA   THR     16      0.0090     25.3239     29.3300
   172 CA   ARG     17      0.0079     24.9694     29.5500
   183 CA   GLU     18      0.0074     24.8099     28.6600
   192 CA   GLU     19      0.0124     26.4161     29.4400
   201 CA   PRO     20      0.0133     26.6780     32.0500
   208 CA   PHE     21      0.0267     31.0033     35.3800
   219 CA   GLY     22      0.0315     32.5347     35.2200
   223 CA   GLU     23      0.0397     35.1562     38.5000
   232 CA   ILE     24      0.0264     30.9065     34.9500
   233 CA   ILE     24      0.0261     30.7883     34.1900
   245 CA   TYR     25      0.0122     26.3548     30.9300
   257 CA   ASP     26      0.0108     25.8850     29.8000
   265 CA   MET     27      0.0050     24.0243     26.7400
   273 CA   ALA     28      0.0051     24.0687     25.2700
   278 CA   ILE     29      0.0040     23.6917     24.2000
   286 CA   ILE     30      0.0043     23.8072     23.2700
   294 CA   PHE     31      0.0046     23.9007     22.8600
   305 CA   HIS     32      0.0055     24.1979     23.6100
   315 CA   GLY     33      0.0085     25.1505     24.0400
   319 CA   PHE     34      0.0074     24.7894     27.2600
   330 CA   THR     35      0.0136     26.7950     30.7900
   337 CA   ALA     36      0.0127     26.4858     29.6400
   342 CA   ASN     37      0.0111     25.9886     30.2400
   350 CA   ARG     38      0.0092     25.3888     28.0900
   361 CA   ASN     39      0.0137     26.8161     31.1500
   369 CA   THR     40      0.0175     28.0294     30.3700
   376 CA   SER     41      0.0213     29.2772     28.9700
   382 CA   LEU     42      0.0126     26.4793     25.8200
   390 CA   LEU     43      0.0086     25.1718     26.0500
   398 CA   ARG     44      0.0114     26.0911     28.2000
   409 CA   GLU     45      0.0125     26.4262     28.8800
   418 CA   ILE     46      0.0090     25.3102     27.5300
   426 CA   ALA     47      0.0094     25.4308     28.8700
   431 CA   ASN     48      0.0127     26.5000     29.5900
   439 CA   SER     49      0.0120     26.2856     27.7100
   445 CA   LEU     50      0.0093     25.4241     26.5200
   453 CA   ARG     51      0.0111     25.9955     33.3400
   464 CA   ASP     52      0.0215     29.3172     34.6700
   472 CA   GLU     53      0.0177     28.1044     32.5100
   481 CA   ASN     54      0.0157     27.4768     32.1000
   489 CA   ILE     55      0.0073     24.7527     27.2500
   497 CA   ALA     56      0.0063     24.4580     26.0100
   502 CA   SER     57      0.0052     24.0933     26.8300
   508 CA   VAL     58      0.0055     24.1849     26.4600
   509 CA   VAL     58      0.0055     24.1872     26.4400
   519 CA   ARG     59      0.0062     24.3978     25.1200
   530 CA   PHE     60      0.0062     24.4140     26.0100
   541 CA   ASP     61      0.0071     24.7042     26.9900
   549 CA   PHE     62      0.0062     24.4250     25.7400
   560 CA   ASN     63      0.0092     25.3607     24.7800
   568 CA   GLY     64      0.0108     25.8857     25.3400
   572 CA   HIS     65      0.0100     25.6385     27.5700
   582 CA   GLY     66      0.0142     26.9916     29.6800
   586 CA   ASP     67      0.0192     28.5850     31.5300
   594 CA   SER     68      0.0138     26.8496     28.2300
   600 CA   ASP     69      0.0189     28.5007     30.9900
   608 CA   GLY     70      0.0239     30.0990     31.3300
   612 CA   LYS     71      0.0343     33.4320     29.5700
   621 CA   PHE     72      0.0167     27.7814     27.2200
   632 CA   GLU     73      0.0171     27.9128     27.6900
   641 CA   ASN     74      0.0191     28.5474     26.8300
   649 CA   MET     75      0.0090     25.3110     22.6800
   657 CA   THR     76      0.0085     25.1424     21.6700
   664 CA   VAL     77      0.0073     24.7717     22.0500
   671 CA   LEU     78      0.0096     25.5186     22.8900
   679 CA   ASN     79      0.0090     25.3262     23.1500
   687 CA   GLU     80      0.0074     24.7902     22.5200
   696 CA   ILE     81      0.0081     25.0133     22.5600
   704 CA   GLU     82      0.0113     26.0538     23.4000
   713 CA   ASP     83      0.0074     24.8093     23.9300
   721 CA   ALA     84      0.0079     24.9685     23.1000
   726 CA   ASN     85      0.0114     26.0793     24.0900
   734 CA   ALA     86      0.0114     26.0826     24.7900
   739 CA   ILE     87      0.0072     24.7333     25.6600
   747 CA   LEU     88      0.0078     24.9345     25.0400
   755 CA   ASN     89      0.0158     27.5096     27.4600
   763 CA   TYR     90      0.0114     26.0767     30.7300
   775 CA   VAL     91      0.0091     25.3426     29.5100
   782 CA   LYS     92      0.0151     27.2602     30.0500
   791 CA   THR     93      0.0363     34.0800     34.1300
   798 CA   ASP     94      0.0207     29.0720     32.9600
   806 CA   PRO     95      0.0428     36.1609     33.8600
   813 CA   HIS     96      0.0212     29.2225     31.7000
   823 CA   VAL     97      0.0131     26.6359     30.7800
   830 CA   ARG     98      0.0203     28.9381     30.6300
   841 CA   ASN     99      0.0117     26.1846     29.5300
   849 CA   ILE    100      0.0082     25.0580     25.1500
   857 CA   TYR    101      0.0046     23.8904     23.9800
   869 CA   LEU    102      0.0047     23.9439     22.4400
   877 CA   VAL    103      0.0036     23.5778     22.6200
   884 CA   GLY    104      0.0041     23.7462     22.7300
   888 CA   HIS    105      0.0053     24.1154     22.5000
   898 CA   ALA    106      0.0054     24.1487     22.6000
   903 CA   GLN    107      0.0048     23.9782     22.3700
   912 CA   GLY    108      0.0047     23.9198     22.2900
   916 CA   GLY    109      0.0048     23.9731     22.0500
   920 CA   VAL    110      0.0047     23.9181     21.1400
   927 CA   VAL    111      0.0047     23.9269     22.6000
   934 CA   ALA    112      0.0046     23.8955     22.7400
   939 CA   SER    113      0.0063     24.4547     21.4500
   945 CA   MET    114      0.0070     24.6777     21.8400
   953 CA   LEU    115      0.0076     24.8734     22.3500
   961 CA   ALA    116      0.0075     24.8387     21.3400
   966 CA   GLY    117      0.0119     26.2316     20.7800
   970 CA   LEU    118      0.0159     27.5394     21.7100
   978 CA   TYR    119      0.0134     26.7206     23.2800
   990 CA   PRO    120      0.0149     27.2048     24.9400
   997 CA   ASP    121      0.0326     32.8917     33.0900
  1005 CA   LEU    122      0.0187     28.4264     29.9000
  1013 CA   ILE    123      0.0092     25.3692     24.7700
  1021 CA   LYS    124      0.0102     25.6911     27.5700
  1030 CA   LYS    125      0.0067     24.5661     25.0400
  1039 CA   VAL    126      0.0060     24.3519     22.2600
  1046 CA   VAL    127      0.0044     23.8461     23.5200
  1053 CA   LEU    128      0.0043     23.8033     22.4400
  1061 CA   LEU    129      0.0047     23.9447     23.1800
  1069 CA   ALA    130      0.0057     24.2460     24.6000
  1074 CA   PRO    131      0.0054     24.1529     23.9400
  1081 CA   ALA    132      0.0064     24.4706     24.8600
  1086 CA   ALA    133      0.0086     25.1790     25.3100
  1091 CA   THR    134      0.0121     26.3231     27.7600
  1098 CA   LEU    135      0.0115     26.1232     26.7300
  1106 CA   LYS    136      0.0112     26.0133     25.8800
  1115 CA   GLY    137      0.0246     30.3271     29.0200
  1119 CA   ASP    138      0.0214     29.3000     29.1700
  1127 CA   ALA    139      0.0148     27.1868     25.9800
  1132 CA   LEU    140      0.0248     30.3882     27.4700
  1140 CA   GLU    141      0.0402     35.3360     31.2800
  1141 CA   GLU    141      0.0405     35.4142     30.8600
  1155 CA   GLY    142      0.0303     32.1546     32.3800
  1159 CA   ASN    143      0.0296     31.9158     37.0000
  1167 CA   THR    144      0.0225     29.6466     38.4000
  1174 CA   GLN    145      0.0400     35.2680     47.0300
  1183 CA   GLY    146      0.0695     44.7370     46.5800
  1187 CA   VAL    147      0.0367     34.2076     41.7400
  1194 CA   THR    148      0.0421     35.9352     40.6600
  1201 CA   TYR    149      0.0357     33.8987     31.6600
  1213 CA   ASN    150      0.0427     36.1387     27.4600
  1221 CA   PRO    151      0.0332     33.0979     28.0400
  1228 CA   ASP    152      0.0643     43.0617     28.7700
  1236 CA   HIS    153      0.0548     40.0240     27.3600
  1246 CA   ILE    154      0.0272     31.1521     25.9100
  1254 CA   PRO    155      0.0376     34.4865     28.6400
  1261 CA   ASP    156      0.0497     38.3911     30.4000
  1269 CA   ARG    157      0.0315     32.5321     33.0300
  1280 CA   LEU    158      0.0235     29.9564     34.4800
  1288 CA   PRO    159      0.0380     34.6145     37.8200
  1295 CA   PHE    160      0.0305     32.2121     41.1000
  1306 CA   LYS    161      0.0898     51.2708     38.1000
  1315 CA   ASP    162      0.1156     59.5509     33.6000
  1323 CA   LEU    163      0.0364     34.1019     31.3300
  1331 CA   THR    164      0.0268     31.0279     29.2000
  1338 CA   LEU    165      0.0136     26.7812     26.7300
  1346 CA   GLY    166      0.0137     26.8274     25.9500
  1350 CA   GLY    167      0.0195     28.6934     25.3800
  1354 CA   PHE    168      0.0173     27.9733     25.8100
  1365 CA   TYR    169      0.0083     25.0750     24.0500
  1377 CA   LEU    170      0.0085     25.1569     24.0600
  1385 CA   ARG    171      0.0143     27.0221     22.6100
  1396 CA   ILE    172      0.0143     27.0255     22.0100
  1397 CA   ILE    172      0.0144     27.0377     22.4500
  1409 CA   ALA    173      0.0113     26.0501     23.2400
  1414 CA   GLN    174      0.0150     27.2310     23.6400
  1423 CA   GLN    175      0.0284     31.5288     24.6500
  1432 CA   LEU    176      0.0182     28.2553     24.9300
  1440 CA   PRO    177      0.0215     29.3300     20.4100
  1447 CA   ILE    178      0.0111     25.9752     21.2900
  1455 CA   TYR    179      0.0126     26.4751     22.9500
  1467 CA   GLU    180      0.0203     28.9508     25.4100
  1476 CA   VAL    181      0.0136     26.7991     21.9600
  1483 CA   SER    182      0.0093     25.4220     19.6600
  1489 CA   ALA    183      0.0150     27.2276     22.6000
  1494 CA   GLN    184      0.0161     27.6066     24.8800
  1503 CA   PHE    185      0.0102     25.7018     24.0000
  1514 CA   THR    186      0.0141     26.9583     25.2500
  1521 CA   LYS    187      0.0118     26.2182     24.8100
  1530 CA   PRO    188      0.0128     26.5454     25.4900
  1537 CA   VAL    189      0.0077     24.8924     24.2600
  1544 CA   CYS    190      0.0073     24.7540     22.6900
  1550 CA   LEU    191      0.0061     24.3959     23.7500
  1558 CA   ILE    192      0.0064     24.4670     24.5800
  1566 CA   HIS    193      0.0092     25.3897     24.6700
  1576 CA   GLY    194      0.0125     26.4498     26.6100
  1580 CA   THR    195      0.0249     30.4129     30.9000
  1587 CA   ASP    196      0.0312     32.4566     33.0900
  1595 CA   ASP    197      0.0194     28.6658     30.8900
  1603 CA   THR    198      0.0498     38.4210     31.5600
  1610 CA   VAL    199      0.0237     30.0450     30.9600
  1617 CA   VAL    200      0.0149     27.2151     30.1600
  1624 CA   SER    201      0.0205     28.9892     31.2100
  1630 CA   PRO    202      0.0162     27.6275     30.9200
  1637 CA   ASN    203      0.0307     32.2736     32.1100
  1645 CA   ALA    204      0.0141     26.9566     28.7800
  1650 CA   SER    205      0.0099     25.6081     26.9400
  1656 CA   LYS    206      0.0149     27.1994     31.6600
  1665 CA   LYS    207      0.0160     27.5547     29.8400
  1674 CA   TYR    208      0.0097     25.5219     27.3500
  1686 CA   ASP    209      0.0142     26.9786     29.1000
  1694 CA   GLN    210      0.0263     30.8784     34.3000
  1695 CA   GLN    210      0.0265     30.9234     33.4900
  1709 CA   ILE    211      0.0146     27.1003     33.0700
  1717 CA   TYR    212      0.0120     26.2667     27.1000
  1729 CA   GLN    213      0.0295     31.8825     29.2000
  1738 CA   ASN    214      0.0218     29.4330     32.5500
  1746 CA   SER    215      0.0125     26.4382     31.0200
  1752 CA   THR    216      0.0142     26.9872     30.4900
  1759 CA   LEU    217      0.0124     26.3902     29.6000
  1767 CA   HIS    218      0.0132     26.6679     29.0300
  1777 CA   LEU    219      0.0150     27.2346     30.7200
  1785 CA   ILE    220      0.0158     27.4852     29.4000
  1793 CA   GLU    221      0.0446     36.7438     32.9700
  1802 CA   GLY    222      0.0401     35.3135     30.8500
  1806 CA   ALA    223      0.0190     28.5251     28.4000
  1811 CA   ASP    224      0.0207     29.0731     29.0300
  1819 CA   HIS    225      0.0128     26.5281     27.6300
  1829 CA   CYS    226      0.0155     27.4103     30.7200
  1835 CA   PHE    227      0.0145     27.0676     27.6400
  1846 CA   SER    228      0.0258     30.7010     30.0600
  1852 CA   ASP    229      0.0766     47.0051     31.6200
  1860 CA   SER    230      0.0733     45.9560     31.6900
  1866 CA   TYR    231      0.0198     28.7653     29.4300
  1878 CA   GLN    232      0.0168     27.8307     28.0500
  1887 CA   LYS    233      0.0307     32.2907     27.3000
  1896 CA   ASN    234      0.0184     28.3435     28.3700
  1904 CA   ALA    235      0.0111     25.9970     26.0400
  1909 CA   VAL    236      0.0114     26.0784     27.6900
  1916 CA   ASN    237      0.0177     28.1213     26.0400
  1924 CA   LEU    238      0.0133     26.6909     27.1500
  1932 CA   THR    239      0.0093     25.4152     24.8700
  1939 CA   THR    240      0.0102     25.6913     28.0100
  1946 CA   ASP    241      0.0166     27.7547     29.5800
  1954 CA   PHE    242      0.0104     25.7588     26.8300
  1965 CA   LEU    243      0.0100     25.6244     28.1000
  1973 CA   GLN    244      0.0180     28.2162     43.4600
  1982 CA   ASN    245      0.0624     42.4742     56.0400

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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.