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

* TEST *

B-factor analysis for ID 2502031613461658284

Overall B-factor prediction

Correlation= 0.526 for 204 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 ASP 513 0.1966 52.0543 22.8100
10 CA ASN 514 0.1217 34.6768 20.9300
18 CA LEU 515 0.0503 18.0966 12.3300
26 CA VAL 516 0.0425 16.2989 10.9100
33 CA LEU 517 0.0286 13.0707 11.7100
41 CA ILE 518 0.0208 11.2678 14.6400
49 CA ARG 519 0.0223 11.6007 15.9200
60 CA MET 520 0.0189 10.8111 11.8300
68 CA LYS 521 0.0274 12.7922 12.2600
77 CA PRO 522 0.0242 12.0468 9.7100
84 CA ASP 523 0.0613 20.6633 10.6300
92 CA GLU 524 0.1170 33.5907 16.9700
101 CA ASN 525 0.0992 29.4558 15.6700
109 CA GLY 526 0.0466 17.2486 12.9800
113 CA ARG 527 0.0287 13.0972 10.8800
124 CA PHE 528 0.0165 10.2708 8.1600
135 CA GLY 529 0.0183 10.6759 8.4700
139 CA PHE 530 0.0113 9.0591 7.6100
150 CA ASN 531 0.0120 9.2115 8.6200
158 CA VAL 532 0.0106 8.8856 9.6400
165 CA LYS 533 0.0171 10.4003 10.0300
174 CA GLY 534 0.0234 11.8591 10.2200
178 CA GLY 535 0.0307 13.5566 11.2500
182 CA TYR 536 0.0501 18.0530 10.5300
194 CA ASP 537 0.0575 19.7659 11.1500
202 CA GLN 538 0.0494 17.9006 12.3500
211 CA LYS 539 0.0845 26.0482 15.0800
220 CA MET 540 0.0611 20.6227 17.0900
221 CA MET 540 0.0594 20.2123 16.0300
233 CA PRO 541 0.0382 15.3093 14.4500
240 CA VAL 542 0.0176 10.5243 11.4400
247 CA ILE 543 0.0160 10.1570 10.9200
255 CA VAL 544 0.0130 9.4546 10.1300
262 CA SER 545 0.0206 11.2091 9.5400
268 CA ARG 546 0.0218 11.4995 8.8000
279 CA VAL 547 0.0220 11.5507 9.0100
286 CA ALA 548 0.0362 14.8240 10.0800
291 CA PRO 549 0.0822 25.5109 9.2700
298 CA GLY 550 0.0855 26.2801 9.9800
302 CA THR 551 0.0349 14.5359 9.1600
309 CA PRO 552 0.0270 12.6979 9.1100
316 CA ALA 553 0.0183 10.6921 7.4000
321 CA ASP 554 0.0310 13.6337 7.5200
329 CA LEU 555 0.0526 18.6328 9.1600
337 CA CYS 556 0.0386 15.3926 8.7100
343 CA VAL 557 0.0656 21.6501 13.2600
350 CA PRO 558 0.0535 18.8550 11.6700
357 CA ARG 559 0.0340 14.3350 8.2600
368 CA LEU 560 0.0198 11.0228 8.4900
376 CA ASN 561 0.0252 12.2838 9.8000
384 CA GLU 562 0.0254 12.3246 9.4200
393 CA GLY 563 0.0294 13.2645 11.1400
397 CA ASP 564 0.0210 11.3105 9.2500
405 CA GLN 565 0.0194 10.9489 10.9800
414 CA VAL 566 0.0146 9.8280 10.3800
421 CA VAL 567 0.0234 11.8649 11.4100
428 CA LEU 568 0.0219 11.5162 11.5000
436 CA ILE 569 0.0141 9.7023 9.0200
444 CA ASN 570 0.0184 10.7031 11.4200
452 CA GLY 571 0.0383 15.3160 15.0200
456 CA ARG 572 0.0337 14.2606 15.5600
467 CA ASP 573 0.0419 16.1583 15.9300
475 CA ILE 574 0.0289 13.1419 14.4900
483 CA ALA 575 0.0614 20.6829 19.0300
488 CA GLU 576 0.0683 22.2868 18.7400
497 CA HIS 577 0.0369 14.9867 12.9100
507 CA THR 578 0.0350 14.5619 10.9400
514 CA HIS 579 0.0201 11.1060 9.1300
524 CA ASP 580 0.0221 11.5618 8.9700
532 CA GLN 581 0.0262 12.5144 10.5300
541 CA VAL 582 0.0148 9.8776 9.9300
548 CA VAL 583 0.0133 9.5131 8.4800
555 CA LEU 584 0.0159 10.1317 10.3900
563 CA PHE 585 0.0156 10.0640 10.0400
574 CA ILE 586 0.0109 8.9719 8.9800
582 CA LYS 587 0.0145 9.8075 10.7600
591 CA ALA 588 0.0172 10.4369 12.8100
596 CA SER 589 0.0191 10.8774 10.3400
602 CA CYS 590 0.0196 10.9838 14.1900
608 CA GLU 591 0.0198 11.0348 13.8100
617 CA ARG 592 0.0194 10.9406 14.9900
628 CA HIS 593 0.0530 18.7227 23.0300
633 CA SER 594 0.1093 31.7953 24.1300
639 CA GLY 595 0.0364 14.8836 18.4600
643 CA GLU 596 0.0219 11.5288 14.6400
652 CA LEU 597 0.0138 9.6333 9.6700
660 CA MET 598 0.0147 9.8569 11.8800
668 CA LEU 599 0.0128 9.3981 10.3500
676 CA LEU 600 0.0190 10.8473 9.7200
684 CA VAL 601 0.0206 11.2205 9.7600
691 CA ARG 602 0.0338 14.2759 11.1500
702 CA PRO 603 0.0466 17.2483 14.7800
709 CA ASN 604 0.0810 25.2312 34.4200
717 CA HIS 512 0.1243 35.2811 31.2800
727 CA ASP 513 0.1451 40.1033 27.4300
735 CA ASN 514 0.0969 28.9156 22.5000
743 CA LEU 515 0.0597 20.2771 14.8700
751 CA VAL 516 0.0391 15.5177 15.5500
758 CA LEU 517 0.0335 14.1988 16.8300
766 CA ILE 518 0.0208 11.2604 16.0000
774 CA ARG 519 0.0253 12.3167 16.8800
785 CA MET 520 0.0214 11.4119 13.5400
793 CA LYS 521 0.0303 13.4629 14.0000
802 CA PRO 522 0.0258 12.4120 12.7200
809 CA ASP 523 0.0369 14.9965 12.3500
817 CA GLU 524 0.1116 32.3317 18.1000
826 CA ASN 525 0.0597 20.2975 17.6400
834 CA GLY 526 0.0322 13.9115 15.3200
838 CA ARG 527 0.0256 12.3729 15.1100
849 CA PHE 528 0.0169 10.3558 10.6100
860 CA GLY 529 0.0229 11.7489 14.2000
864 CA PHE 530 0.0188 10.7939 12.5400
875 CA ASN 531 0.0226 11.6806 13.8600
883 CA VAL 532 0.0180 10.6091 14.3800
890 CA LYS 533 0.0274 12.7914 16.4000
899 CA GLY 534 0.0310 13.6259 17.5100
903 CA GLY 535 0.0303 13.4658 19.3500
907 CA TYR 536 0.0550 19.1922 28.2800
912 CA ASP 537 0.0700 22.6795 30.9100
920 CA GLN 538 0.0743 23.6672 30.5600
929 CA LYS 539 0.1109 32.1614 30.1400
938 CA MET 540 0.0677 22.1471 26.7800
946 CA PRO 541 0.0538 18.9133 17.6200
953 CA VAL 542 0.0185 10.7241 13.8500
960 CA ILE 543 0.0195 10.9670 14.7700
968 CA VAL 544 0.0179 10.5889 14.5500
975 CA SER 545 0.0308 13.5712 17.4300
981 CA ARG 546 0.0356 14.6888 17.5100
992 CA VAL 547 0.0278 12.8925 14.8600
999 CA ALA 548 0.0522 18.5409 18.0700
1004 CA PRO 549 0.0831 25.7087 16.8800
1011 CA GLY 550 0.0698 22.6355 15.5100
1015 CA THR 551 0.0430 16.4185 13.4400
1022 CA PRO 552 0.0257 12.3966 11.5000
1029 CA ALA 553 0.0185 10.7195 12.4400
1034 CA ASP 554 0.0328 14.0369 14.3400
1042 CA LEU 555 0.0504 18.1398 16.1200
1050 CA CYS 556 0.0396 15.6305 17.2000
1056 CA VAL 557 0.0675 22.0887 21.1800
1063 CA PRO 558 0.0423 16.2594 21.5700
1070 CA ARG 559 0.0293 13.2350 19.6400
1071 CA ARG 559 0.0292 13.2030 19.8100
1089 CA LEU 560 0.0179 10.5857 15.0800
1097 CA ASN 561 0.0254 12.3395 16.6300
1105 CA GLU 562 0.0332 14.1326 20.0300
1114 CA GLY 563 0.0341 14.3570 17.7800
1118 CA ASP 564 0.0209 11.2841 14.2100
1126 CA GLN 565 0.0200 11.0780 14.0900
1135 CA VAL 566 0.0135 9.5756 13.0700
1142 CA VAL 567 0.0207 11.2363 15.3700
1149 CA LEU 568 0.0194 10.9460 14.6000
1157 CA ILE 569 0.0152 9.9561 13.0500
1165 CA ASN 570 0.0237 11.9297 16.0800
1173 CA GLY 571 0.0441 16.6597 22.0000
1177 CA ARG 572 0.0423 16.2543 21.9100
1188 CA ASP 573 0.0393 15.5472 22.7100
1196 CA ILE 574 0.0247 12.1577 21.2400
1204 CA ALA 575 0.0393 15.5614 26.2100
1209 CA GLU 576 0.0674 22.0847 27.7600
1218 CA HIS 577 0.0356 14.7056 23.6900
1228 CA THR 578 0.0316 13.7751 21.0200
1235 CA HIS 579 0.0236 11.9129 16.7400
1245 CA ASP 580 0.0240 11.9990 17.0300
1253 CA GLN 581 0.0226 11.6709 18.6100
1262 CA VAL 582 0.0144 9.7851 14.6200
1269 CA VAL 583 0.0153 9.9758 12.6100
1276 CA LEU 584 0.0174 10.4687 15.0800
1284 CA PHE 585 0.0167 10.3143 16.6200
1295 CA ILE 586 0.0116 9.1219 10.7100
1303 CA LYS 587 0.0153 9.9899 15.0900
1312 CA ALA 588 0.0207 11.2395 15.8700
1317 CA SER 589 0.0185 10.7249 15.0900
1323 CA CYS 590 0.0246 12.1440 17.2600
1329 CA GLU 591 0.0357 14.7268 21.5300
1338 CA SER 594 0.0827 25.6119 26.4200
1344 CA GLY 595 0.0553 19.2689 23.5400
1348 CA GLU 596 0.0270 12.6911 18.9500
1357 CA LEU 597 0.0158 10.0966 13.8500
1365 CA MET 598 0.0183 10.6860 14.6800
1370 CA LEU 599 0.0127 9.3740 13.0100
1378 CA LEU 600 0.0201 11.0958 13.4500
1386 CA VAL 601 0.0184 10.7112 13.7500
1393 CA ARG 602 0.0356 14.7014 17.1900
1404 CA PRO 603 0.0455 16.9948 24.6400
1411 CA ASN 604 0.0974 29.0378 65.0200
1419 CA SER 1 0.0254 12.3406 10.9700
1425 CA TRP 2 0.0213 11.3834 13.6100
1439 CA GLU 3 0.0326 13.9962 17.2800
1448 CA SER 4 0.0262 12.5166 13.2700
1449 CA SER 4 0.0261 12.4964 13.1400
1457 CA HIS 5 0.0414 16.0413 11.3900
1467 CA LYS 6 0.0338 14.2807 8.8800
1476 CA SER 7 0.0777 24.4625 8.7300
1482 CA GLY 8 0.0978 29.1369 8.8300
1486 CA GLY 9 0.0369 15.0058 9.6800
1490 CA GLU 10 0.0220 11.5438 9.2800
1499 CA THR 11 0.0160 10.1389 7.4500
1506 CA ARG 12 0.0211 11.3307 10.5500
1517 CA LEU 13 0.0127 9.3749 11.9100
1526 CA GLY 9 0.0747 23.7777 28.1700
1530 CA GLU 10 0.0463 17.1725 24.6800
1539 CA THR 11 0.0345 14.4299 18.1400
1546 CA ARG 12 0.0370 15.0176 18.7000
1557 CA LEU 13 0.0203 11.1532 16.5900

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.