Should you encounter any unexpected behaviour,
please let us know.

* TPPP_av_unbound *

B-factor analysis for ID 2403081947452373657

Overall B-factor prediction

Correlation= 0.731 for 219 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-SCALED	B-OBS
5 CA MET 1 0.2055 2067.9143 3267.4000
14 CA ALA 2 0.2493 2475.3331 3031.0000
20 CA ASP 3 0.3259 3187.3587 2837.6000
29 CA LYS 4 0.3850 3737.4764 3237.4000
42 CA ALA 5 0.4675 4504.3861 2366.5000
48 CA LYS 6 0.5686 5444.3495 3388.2000
60 CA PRO 7 0.5554 5321.7935 2483.6000
68 CA ALA 8 0.4159 4024.3288 1823.7000
74 CA LYS 9 0.4526 4365.9258 2428.8000
87 CA ALA 10 0.3801 3691.7439 1810.3000
93 CA ALA 11 0.2903 2856.7604 1519.9000
99 CA ASN 12 0.2644 2615.1869 1660.5000
110 CA ARG 13 0.1997 2013.5116 2620.1000
127 CA THR 14 0.1183 1256.4212 1256.1000
135 CA PRO 15 0.0870 965.1873 1418.1000
142 CA PRO 16 0.0666 775.6805 1479.6000
150 CA LYS 17 0.0647 758.2683 1683.5000
163 CA SER 18 0.0956 1045.2729 1506.8000
170 CA PRO 19 0.0966 1055.3849 1610.1000
178 CA GLY 20 0.1458 1512.8757 1907.2000
183 CA ASP 21 0.1775 1807.6249 2720.7000
191 CA PRO 22 0.1377 1437.1577 2264.2000
199 CA SER 23 0.1098 1177.4429 2036.5000
207 CA LYS 24 0.1011 1096.7488 2203.9000
220 CA ASP 25 0.1035 1119.0936 2206.9000
229 CA ARG 26 0.1377 1437.2206 2974.5000
246 CA ALA 27 0.1784 1815.3480 2972.3000
252 CA ALA 28 0.2612 2585.4524 4080.6000
258 CA LYS 29 0.3178 3112.4798 4707.4000
271 CA ARG 30 0.2712 2679.2257 3764.3000
288 CA LEU 31 0.1831 1859.4331 2732.5000
297 CA SER 32 0.1299 1364.8928 2234.5000
305 CA LEU 33 0.0705 811.7524 1866.0000
314 CA GLU 34 0.0440 565.4339 1906.0000
324 CA SER 35 0.0370 500.4064 1418.2000
332 CA GLU 36 0.0444 569.0686 1136.2000
342 CA GLY 37 0.0560 677.6068 845.7800
347 CA ALA 38 0.0589 704.2369 745.2300
353 CA GLY 39 0.0680 788.9010 630.3800
358 CA GLU 40 0.0910 1003.2993 909.2800
368 CA GLY 41 0.1192 1264.8655 668.3800
373 CA ALA 42 0.1141 1217.7047 682.6800
379 CA ALA 43 0.0656 766.1988 492.3600
385 CA ALA 44 0.0585 701.0221 432.5500
391 CA SER 45 0.0479 601.7625 355.1100
398 CA PRO 46 0.0561 677.9545 439.6100
406 CA GLU 47 0.0546 663.8731 415.1600
416 CA LEU 48 0.0712 818.2430 490.3800
425 CA SER 49 0.0540 658.5557 397.4800
433 CA ALA 50 0.0337 470.0344 267.8400
439 CA LEU 51 0.0219 359.9975 184.8300
448 CA GLU 52 0.0293 428.9202 312.0300
458 CA GLU 53 0.0285 421.1251 371.7700
468 CA ALA 54 0.0189 332.6538 193.2800
474 CA PHE 55 0.0194 336.5255 227.9100
491 CA ARG 56 0.0340 473.0898 428.3200
508 CA ARG 57 0.0282 418.8734 336.7900
525 CA PHE 58 0.0253 391.8340 268.1700
542 CA ALA 59 0.0305 440.2858 298.4000
548 CA VAL 60 0.0438 563.7281 556.6600
556 CA HIS 61 0.0431 557.3012 919.3700
570 CA GLY 62 0.0432 558.0840 733.9800
575 CA ASP 63 0.0629 741.5574 769.0700
584 CA ALA 64 0.0662 772.3747 614.5000
590 CA ARG 65 0.0636 748.4368 957.9200
607 CA ALA 66 0.0602 716.2793 643.1100
613 CA THR 67 0.1020 1105.4852 928.3600
622 CA GLY 68 0.0796 896.3699 710.0300
627 CA ARG 69 0.0456 580.6552 755.9500
644 CA GLU 70 0.0406 533.7079 429.1200
654 CA MET 71 0.0293 428.6107 188.3300
663 CA HIS 72 0.0442 567.3070 415.2700
677 CA GLY 73 0.0519 639.2683 392.0800
682 CA LYS 74 0.0551 669.0153 550.7300
695 CA ASN 75 0.0331 464.7881 292.8800
706 CA TRP 76 0.0223 364.0661 273.2400
727 CA SER 77 0.0381 510.8490 324.8100
735 CA LYS 78 0.0398 526.7714 390.1200
748 CA LEU 79 0.0226 366.2749 188.8800
757 CA CYS 80 0.0251 390.2743 239.7900
765 CA LYS 81 0.0474 597.1651 461.2900
778 CA ASP 82 0.0457 581.8572 350.6800
787 CA CYS 83 0.0348 480.6320 258.4300
795 CA GLN 84 0.0497 619.0905 473.2700
807 CA VAL 85 0.0405 533.0347 298.9800
815 CA ILE 86 0.0603 717.6515 443.4000
824 CA ASP 87 0.1034 1118.2352 618.2800
833 CA GLY 88 0.1340 1403.0521 743.5700
838 CA ARG 89 0.1581 1626.6524 1125.5000
855 CA ASN 90 0.1073 1154.1412 664.8800
866 CA VAL 91 0.0734 839.3292 444.0800
874 CA THR 92 0.0927 1018.5967 584.5600
883 CA VAL 93 0.0920 1012.5810 592.3400
891 CA THR 94 0.1017 1102.3350 657.9200
900 CA ASP 95 0.0638 749.7966 473.7700
909 CA VAL 96 0.0430 556.4463 323.0500
917 CA ASP 97 0.0592 707.2080 526.2400
926 CA ILE 98 0.0632 744.6461 556.9500
935 CA VAL 99 0.0375 504.8997 355.6200
943 CA PHE 100 0.0446 571.0044 439.3400
960 CA SER 101 0.0631 742.9108 340.6300
968 CA LYS 102 0.0491 613.1809 436.6800
981 CA ILE 103 0.0377 507.3653 233.9200
990 CA LYS 104 0.0529 648.2488 927.7900
1003 CA GLY 105 0.0972 1060.8838 606.0100
1008 CA LYS 106 0.0965 1054.0651 1055.7000
1021 CA SER 107 0.0866 962.1098 618.7400
1029 CA CYS 108 0.0724 829.6970 411.2200
1037 CA ARG 109 0.0753 857.0160 573.9600
1054 CA THR 110 0.0582 697.6295 303.8400
1063 CA ILE 111 0.0324 457.4231 154.4300
1072 CA THR 112 0.0325 458.5055 188.5700
1081 CA PHE 113 0.0256 394.4123 200.9500
1098 CA GLU 114 0.0313 447.5040 253.8700
1108 CA GLN 115 0.0232 372.5587 166.8200
1120 CA PHE 116 0.0130 277.3662 103.9100
1137 CA GLN 117 0.0173 317.5139 165.5600
1149 CA GLU 118 0.0213 354.3877 170.5700
1159 CA ALA 119 0.0164 308.9751 107.1600
1165 CA LEU 120 0.0145 291.6445 130.9200
1174 CA GLU 121 0.0262 400.3327 213.4600
1184 CA GLU 122 0.0318 452.0155 234.3400
1194 CA LEU 123 0.0296 431.6034 217.0000
1203 CA ALA 124 0.0359 490.7174 263.7400
1209 CA LYS 125 0.0525 644.8251 348.3100
1222 CA LYS 126 0.0619 731.9948 446.6100
1235 CA ARG 127 0.0655 765.2915 466.6600
1252 CA PHE 128 0.0793 894.4574 465.6100
1269 CA LYS 129 0.1259 1327.7221 782.7900
1282 CA ASP 130 0.1754 1787.3816 894.7500
1291 CA LYS 131 0.1776 1808.7046 1447.5000
1304 CA SER 132 0.1894 1918.3207 1109.4000
1312 CA SER 133 0.1271 1338.3301 980.3200
1320 CA GLU 134 0.1161 1236.3943 987.2400
1330 CA GLU 135 0.1115 1193.9394 677.1500
1340 CA ALA 136 0.0782 884.1198 451.9100
1346 CA VAL 137 0.0546 664.7713 660.0100
1354 CA ARG 138 0.0588 703.2427 874.3400
1371 CA GLU 139 0.0528 647.9219 430.5900
1381 CA VAL 140 0.0318 452.1228 254.9500
1389 CA HIS 141 0.0426 552.7040 410.3000
1403 CA ARG 142 0.0566 683.2621 683.6200
1420 CA LEU 143 0.0337 470.3995 316.4200
1429 CA ILE 144 0.0218 359.3375 184.6500
1438 CA GLU 145 0.0270 407.3147 302.1900
1448 CA GLY 146 0.0259 396.9403 275.5300
1453 CA LYS 147 0.0246 384.9668 289.3100
1466 CA ALA 148 0.0296 432.0731 344.2000
1471 CA PRO 149 0.0343 475.9663 373.6600
1479 CA ILE 150 0.0401 529.8433 543.9100
1488 CA ILE 151 0.0468 592.2072 521.8600
1497 CA SER 152 0.0476 598.9936 685.0200
1505 CA GLY 153 0.0504 624.8273 648.8000
1510 CA VAL 154 0.0379 508.9489 491.4200
1518 CA THR 155 0.0372 502.8742 510.1000
1527 CA LYS 156 0.0417 544.7371 750.1400
1540 CA ALA 157 0.0546 664.2532 715.9000
1546 CA ILE 158 0.0498 619.9787 612.4600
1555 CA SER 159 0.0886 980.2490 797.0000
1563 CA SER 160 0.0633 745.0254 783.2200
1570 CA PRO 161 0.0621 733.6540 781.2100
1578 CA THR 162 0.0618 730.9606 807.6400
1587 CA VAL 163 0.0590 705.3439 725.0700
1595 CA SER 164 0.0855 951.5771 1324.7000
1603 CA ARG 165 0.0895 989.0382 2000.4000
1620 CA LEU 166 0.0768 871.1406 986.0100
1629 CA THR 167 0.0917 1009.7932 1530.7000
1638 CA ASP 168 0.1022 1107.4317 1591.1000
1647 CA THR 169 0.0956 1045.5063 2021.8000
1656 CA THR 170 0.1049 1132.5819 1948.4000
1665 CA LYS 171 0.0796 896.5148 1097.0000
1678 CA PHE 172 0.0597 712.0405 757.6600
1695 CA THR 173 0.0685 793.6443 1020.2000
1704 CA GLY 174 0.0780 881.8509 865.3000
1709 CA SER 175 0.0546 664.3365 814.5400
1717 CA HIS 176 0.0348 480.1875 696.0100
1731 CA LYS 177 0.0465 588.8300 692.8700
1744 CA GLU 178 0.0473 596.5727 640.5000
1754 CA ARG 179 0.0308 443.0202 592.4900
1771 CA PHE 180 0.0295 431.1869 417.5100
1788 CA ASP 181 0.0438 564.2602 495.6800
1796 CA PRO 182 0.0600 714.3001 582.7800
1804 CA SER 183 0.0775 877.4777 676.4400
1812 CA GLY 184 0.0558 675.5805 541.9200
1817 CA LYS 185 0.0392 520.8973 526.0600
1830 CA GLY 186 0.0293 429.0418 403.3300
1835 CA LYS 187 0.0276 413.4570 453.3000
1848 CA GLY 188 0.0320 454.3177 480.3700
1853 CA LYS 189 0.0367 497.6725 687.9300
1866 CA ALA 190 0.0296 431.7163 545.3500
1872 CA GLY 191 0.0357 488.6412 692.0800
1877 CA ARG 192 0.0465 589.1055 1709.4000
1894 CA VAL 193 0.0544 662.3556 963.0900
1902 CA ASP 194 0.0409 536.6468 613.4000
1911 CA LEU 195 0.0266 404.1713 522.4000
1920 CA VAL 196 0.0327 460.7477 646.6900
1928 CA ASP 197 0.0421 548.0595 653.4700
1937 CA GLU 198 0.0554 672.0697 863.5800
1947 CA SER 199 0.0709 816.2585 959.1300
1955 CA GLY 200 0.0650 760.9060 910.2600
1960 CA TYR 201 0.0810 909.4586 1095.5000
1978 CA VAL 202 0.0785 886.4808 1095.2000
1986 CA SER 203 0.0735 840.0657 967.1500
1994 CA GLY 204 0.0844 941.4815 1048.9000
1999 CA TYR 205 0.1073 1154.2075 1221.3000
2017 CA LYS 206 0.1146 1221.9906 1267.8000
2030 CA HIS 207 0.1271 1338.3629 1258.6000
2044 CA ALA 208 0.1568 1614.6774 1768.3000
2050 CA GLY 209 0.1574 1620.0368 1721.8000
2055 CA THR 210 0.1651 1692.2760 2020.5000
2064 CA TYR 211 0.1522 1572.1048 2100.9000
2082 CA ASP 212 0.1106 1185.5815 1571.0000
2091 CA GLN 213 0.1030 1114.8138 1617.4000
2103 CA LYS 214 0.1255 1323.7367 1948.2000
2116 CA VAL 215 0.1061 1143.7076 1832.6000
2124 CA GLN 216 0.0699 806.4618 1701.9000
2136 CA GLY 217 0.0586 701.8309 1702.2000
2141 CA GLY 218 0.0544 662.8522 1935.3000
2146 CA LYS 219 0.0579 694.9344 2450.4000

If you find results from this site helpful for your research, please cite one of our papers:

K. Suhre & Y.H. Sanejouand, ElNemo: a normal mode web-server for protein movement analysis and the generation of templates for molecular replacement. Nucleic Acids Research, 32, W610-W614, 2004.
K. Suhre & Y.H. Sanejouand, On the potential of normal mode analysis for solving difficult molecular replacement problems. Acta Cryst. D vol.60, p796-799, 2004 © International Union of Crystallography.

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: April 25th, 2023.

Should you encounter any unexpected behaviour, please let us know.