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

* 1AE0DC429781E066 *

B-factor analysis for ID 2502180527242155601

Overall B-factor prediction

Correlation= -0.489 for 222 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
2 CA GLN 1 1.3256 105.6332 43.1300
11 CA GLY 2 0.8491 95.3183 55.5900
15 CA ALA 3 0.7027 92.1477 57.5600
20 CA SER 4 0.5495 88.8323 69.0000
26 CA THR 5 0.2938 83.2965 77.1000
33 CA SER 6 0.3374 84.2404 78.9100
39 CA GLY 7 0.3691 84.9259 84.9100
43 CA GLU 8 0.2499 82.3456 85.0300
52 CA LEU 9 0.1798 80.8287 83.7500
60 CA GLU 10 0.2709 82.8001 84.3700
69 CA LYS 11 0.2557 82.4706 87.0500
78 CA LEU 12 0.1452 80.0799 84.3100
86 CA LYS 13 0.1816 80.8682 83.5500
95 CA ALA 14 0.2533 82.4185 88.8600
100 CA GLU 15 0.1666 80.5424 87.2400
109 CA VAL 16 0.1321 79.7962 84.1800
116 CA ALA 17 0.2358 82.0406 87.5000
121 CA ALA 18 0.2259 81.8265 88.4200
126 CA LEU 19 0.1265 79.6733 84.8500
134 CA GLU 20 0.1836 80.9100 84.2500
143 CA ALA 21 0.2687 82.7531 88.7300
148 CA GLU 22 0.1969 81.1983 87.2000
157 CA LYS 23 0.1693 80.6000 83.9100
166 CA ALA 24 0.3107 83.6620 88.2700
171 CA ALA 25 0.3407 84.3119 88.9200
176 CA LEU 26 0.2609 82.5830 86.8600
184 CA GLU 27 0.3691 84.9263 87.6500
193 CA LYS 28 0.5398 88.6219 87.9000
202 CA GLU 29 0.5125 88.0301 86.6800
211 CA ILE 30 0.5169 88.1264 86.7700
219 CA ALA 31 0.7878 93.9907 87.5500
224 CA GLU 32 0.9123 96.6857 87.9500
233 CA LEU 33 0.8641 95.6429 86.2500
241 CA LYS 34 1.0562 99.8003 85.1600
250 CA LYS 35 1.4392 108.0923 86.8500
259 CA GLY 36 1.5206 109.8536 84.9500
263 CA GLY 37 1.5991 111.5534 80.6800
267 CA GLY 38 1.1714 102.2944 77.2700
271 CA GLY 39 1.1694 102.2523 80.2100
275 CA SER 40 1.0238 99.1003 85.5200
281 CA LYS 41 0.8635 95.6285 87.9100
290 CA LYS 42 0.6735 91.5157 86.7000
299 CA LEU 43 0.5665 89.1995 84.5700
307 CA GLU 44 0.5173 88.1348 84.8700
316 CA ALA 45 0.3961 85.5104 86.3100
321 CA ILE 46 0.2869 83.1471 85.9300
329 CA GLU 47 0.2798 82.9929 83.8800
338 CA LYS 48 0.2320 81.9574 84.3400
347 CA GLU 49 0.1530 80.2474 84.8400
356 CA LEU 50 0.1314 79.7796 81.7100
364 CA ALA 51 0.1179 79.4891 85.1300
369 CA ALA 52 0.0815 78.7002 86.6000
374 CA LYS 53 0.0677 78.4004 81.9300
383 CA GLU 54 0.0795 78.6567 82.4300
392 CA ALA 55 0.0686 78.4219 84.7200
397 CA GLU 56 0.0596 78.2266 86.2900
406 CA LEU 57 0.0658 78.3598 84.1100
414 CA ALA 58 0.0715 78.4842 84.6300
419 CA ALA 59 0.0640 78.3205 87.0200
424 CA VAL 60 0.0673 78.3919 85.0700
431 CA GLU 61 0.0698 78.4473 83.0500
440 CA ALA 62 0.0702 78.4552 83.1600
445 CA LYS 63 0.0803 78.6750 83.2700
454 CA LEU 64 0.0823 78.7176 80.4000
462 CA LYS 65 0.0814 78.6978 79.4600
471 CA GLU 66 0.0885 78.8508 78.5300
480 CA LEU 67 0.1157 79.4407 77.0700
488 CA GLU 68 0.1369 79.8997 74.3500
497 CA GLY 69 0.1665 80.5398 70.9600
501 CA THR 70 0.2162 81.6163 61.7500
508 CA THR 71 0.2679 82.7347 55.0200
515 CA SER 72 0.3699 84.9435 49.7400
521 CA ALA 73 0.8100 94.4720 45.1600
526 CA GLY 74 1.1544 101.9276 40.5000
530 CA GLN 75 1.5491 110.4716 36.8400
539 CA GLY 76 1.5637 110.7868 37.7400
543 CA SER 77 1.2257 103.4709 38.6300
549 CA ILE 78 0.6982 92.0496 42.2200
557 CA PRO 79 0.5529 88.9062 45.7400
564 CA VAL 80 0.4479 86.6314 41.2200
571 CA SER 81 0.3297 84.0741 40.1200
577 CA LEU 82 0.2191 81.6795 42.6200
585 CA ARG 83 0.1838 80.9157 46.2600
596 CA SER 84 0.1288 79.7239 46.5600
602 CA GLY 85 0.1102 79.3205 45.5600
606 CA MET 86 0.0808 78.6861 56.1200
614 CA GLU 87 0.0671 78.3894 66.7200
623 CA VAL 88 0.0469 77.9509 78.8300
630 CA GLN 89 0.0573 78.1761 88.0700
639 CA LEU 90 0.0487 77.9901 93.2300
647 CA VAL 91 0.0698 78.4458 94.6600
654 CA GLU 92 0.0669 78.3830 96.6700
663 CA SER 93 0.0956 79.0048 97.2200
669 CA GLY 94 0.1121 79.3629 97.3900
673 CA GLY 95 0.1168 79.4641 97.5700
677 CA GLY 96 0.1664 80.5380 96.9700
681 CA LEU 97 0.2074 81.4254 97.1400
689 CA VAL 98 0.1878 81.0004 97.3800
696 CA GLN 99 0.2148 81.5861 97.2200
705 CA PRO 100 0.1941 81.1370 97.7700
712 CA GLY 101 0.1868 80.9801 97.8500
716 CA GLY 102 0.1772 80.7723 97.7400
720 CA SER 103 0.1354 79.8673 98.1600
726 CA LEU 104 0.1138 79.3986 97.8200
734 CA ARG 105 0.0890 78.8633 98.3200
745 CA LEU 106 0.0676 78.3998 98.5200
753 CA SER 107 0.0609 78.2535 98.0400
759 CA CYS 108 0.0451 77.9111 96.6000
765 CA ALA 109 0.0528 78.0783 94.5900
770 CA ALA 110 0.0411 77.8251 90.5500
775 CA SER 111 0.0518 78.0568 85.5700
781 CA GLY 112 0.0484 77.9827 72.4400
785 CA ARG 113 0.0459 77.9285 62.1100
796 CA THR 114 0.0485 77.9853 63.6400
803 CA PHE 115 0.0363 77.7208 65.3800
814 CA SER 116 0.0461 77.9331 66.2500
820 CA TYR 117 0.0514 78.0476 71.2100
832 CA ASN 118 0.0320 77.6288 84.9900
840 CA PRO 119 0.0271 77.5226 91.6300
847 CA MET 120 0.0180 77.3255 94.5100
855 CA GLY 121 0.0179 77.3240 96.6400
859 CA TRP 122 0.0228 77.4303 98.4800
873 CA PHE 123 0.0335 77.6613 98.2600
884 CA ARG 124 0.0534 78.0925 98.3600
895 CA GLN 125 0.0869 78.8179 97.4100
904 CA ALA 126 0.1224 79.5853 95.0100
909 CA PRO 127 0.2386 82.1007 90.4300
916 CA GLY 128 0.3367 84.2247 91.9000
920 CA LYS 129 0.1833 80.9040 94.0000
929 CA GLY 130 0.1642 80.4901 93.1600
933 CA ARG 131 0.0748 78.5547 94.3100
944 CA GLU 132 0.0592 78.2167 95.8400
953 CA LEU 133 0.0370 77.7376 97.1700
961 CA VAL 134 0.0360 77.7159 97.6700
968 CA ALA 135 0.0289 77.5620 98.3200
973 CA ALA 136 0.0262 77.5027 97.6700
978 CA ILE 137 0.0308 77.6031 95.8000
986 CA SER 138 0.0424 77.8548 93.1300
992 CA ARG 139 0.0450 77.9093 88.2600
1003 CA THR 140 0.0686 78.4210 87.3500
1010 CA GLY 141 0.0647 78.3361 90.4500
1014 CA GLY 142 0.1087 79.2882 89.6200
1018 CA SER 143 0.0777 78.6168 94.3700
1024 CA THR 144 0.0556 78.1385 97.1000
1031 CA TYR 145 0.0538 78.1005 97.3100
1043 CA TYR 146 0.0526 78.0741 98.2700
1055 CA PRO 147 0.0755 78.5707 97.7100
1062 CA ASP 148 0.1236 79.6110 97.3700
1070 CA SER 149 0.0924 78.9360 96.2400
1076 CA VAL 150 0.0715 78.4838 97.7600
1083 CA GLU 151 0.0888 78.8581 97.7100
1092 CA GLY 152 0.1134 79.3914 97.5900
1096 CA ARG 153 0.0924 78.9371 98.7400
1107 CA PHE 154 0.0642 78.3256 98.7200
1118 CA THR 155 0.0578 78.1871 98.4000
1125 CA ILE 156 0.0391 77.7821 98.3100
1133 CA SER 157 0.0459 77.9293 97.3000
1139 CA ARG 158 0.0417 77.8378 95.0400
1150 CA ASP 159 0.0540 78.1050 93.0300
1158 CA ASN 160 0.0514 78.0486 87.9400
1166 CA ALA 161 0.0690 78.4305 88.5800
1171 CA LYS 162 0.0567 78.1636 90.3800
1180 CA ARG 163 0.0454 77.9181 90.7000
1191 CA MET 164 0.0452 77.9133 94.1300
1199 CA VAL 165 0.0338 77.6672 95.9100
1206 CA TYR 166 0.0444 77.8973 97.7500
1218 CA LEU 167 0.0461 77.9335 98.6000
1226 CA GLN 168 0.0702 78.4560 98.5100
1235 CA MET 169 0.0781 78.6260 98.7800
1243 CA ASN 170 0.1100 79.3167 98.6300
1251 CA SER 171 0.1376 79.9149 98.5300
1257 CA LEU 172 0.1194 79.5216 98.5200
1265 CA ARG 173 0.1350 79.8592 97.4300
1276 CA ALA 174 0.1544 80.2787 96.1700
1281 CA GLU 175 0.1281 79.7081 95.4000
1290 CA ASP 176 0.0946 78.9843 97.7500
1298 CA THR 177 0.1182 79.4955 97.6000
1305 CA ALA 178 0.1007 79.1148 98.4400
1310 CA VAL 179 0.0905 78.8959 98.3700
1317 CA TYR 180 0.0580 78.1923 98.6100
1329 CA TYR 181 0.0442 77.8929 98.1700
1341 CA CYS 182 0.0299 77.5823 96.8700
1347 CA ALA 183 0.0244 77.4647 95.8500
1352 CA ALA 184 0.0229 77.4306 92.8000
1357 CA ALA 185 0.0325 77.6403 88.4400
1362 CA GLY 186 0.0475 77.9632 76.6200
1366 CA VAL 187 0.0721 78.4961 61.1200
1373 CA ARG 188 0.0691 78.4325 62.0600
1384 CA ALA 189 0.0706 78.4645 58.1800
1389 CA GLU 190 0.1245 79.6309 64.7000
1398 CA ASP 191 0.1283 79.7130 70.0900
1406 CA GLY 192 0.0941 78.9720 78.1900
1410 CA ARG 193 0.0769 78.6011 85.3000
1421 CA VAL 194 0.0477 77.9694 90.8000
1428 CA ARG 195 0.0416 77.8359 92.1300
1439 CA THR 196 0.0482 77.9797 92.6100
1446 CA LEU 197 0.0674 78.3941 91.9200
1454 CA PRO 198 0.0561 78.1495 91.5300
1461 CA SER 199 0.0838 78.7504 90.3600
1467 CA GLU 200 0.0602 78.2395 89.4000
1476 CA TYR 201 0.0384 77.7669 92.1700
1488 CA THR 202 0.0520 78.0606 89.4600
1495 CA PHE 203 0.0413 77.8302 90.9300
1506 CA TRP 204 0.0453 77.9175 93.4900
1520 CA GLY 205 0.0595 78.2238 94.2300
1524 CA GLN 206 0.0996 79.0927 94.4000
1533 CA GLY 207 0.0785 78.6342 96.9800
1537 CA THR 208 0.0956 79.0045 98.0300
1544 CA GLN 209 0.1230 79.5990 98.0400
1553 CA VAL 210 0.1141 79.4066 98.3200
1560 CA THR 211 0.1575 80.3463 97.8300
1567 CA VAL 212 0.1574 80.3438 97.6400
1574 CA SER 213 0.2229 81.7610 95.9700
1580 CA SER 214 0.2639 82.6484 90.7700
1586 CA LEU 215 0.3686 84.9155 71.1300
1594 CA GLU 216 0.4930 87.6079 57.9400
1603 CA HIS 217 0.6770 91.5916 45.7000
1613 CA HIS 218 1.1173 101.1238 42.9300
1623 CA HIS 219 1.9800 119.7995 41.0300
1633 CA HIS 220 3.3786 150.0762 38.7100
1643 CA HIS 221 5.6603 199.4722 34.7300
1653 CA HIS 222 8.6019 263.1537 36.4900

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 8th, 2025.

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