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

* STRUCTURAL PROTEIN 28-FEB-12 4DXT *

B-factor analysis for ID 2403172319083633921

Overall B-factor prediction

Correlation= 0.393 for 203 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 GLY 520 6.7243 230.8073 114.2700
6 CA PRO 521 5.9878 210.1994 120.8000
13 CA GLY 522 4.2088 160.4182 81.2100
17 CA VAL 523 2.3155 107.4409 58.9500
24 CA THR 524 1.8995 95.7989 42.2900
31 CA GLU 525 1.5350 85.6003 59.4700
40 CA GLU 526 1.1261 74.1583 53.6400
49 CA GLN 527 0.9122 68.1719 40.7700
58 CA VAL 528 0.8011 65.0635 33.5300
65 CA HIS 529 0.5668 58.5075 31.7900
75 CA HIS 530 0.4086 54.0800 39.6500
76 CA HIS 530 0.4084 54.0765 38.9100
92 CA ILE 531 0.3833 53.3732 35.2800
100 CA VAL 532 0.3198 51.5973 32.0000
107 CA LYS 533 0.2261 48.9757 35.2300
116 CA GLN 534 0.1675 47.3343 42.8500
125 CA ALA 535 0.1590 47.0975 28.7800
130 CA LEU 536 0.1675 47.3353 28.7800
138 CA GLN 537 0.1533 46.9369 39.6700
147 CA ARG 538 0.1182 45.9549 34.8500
158 CA TYR 539 0.1441 46.6812 33.9500
170 CA SER 540 0.1951 48.1072 32.1000
176 CA GLU 541 0.1691 47.3787 36.6000
185 CA ASP 542 0.1385 46.5220 34.8500
193 CA ARG 543 0.1364 46.4643 34.1500
204 CA ILE 544 0.1257 46.1650 35.2300
212 CA GLY 545 0.1564 47.0250 38.2000
216 CA LEU 546 0.1178 45.9437 37.7900
224 CA ALA 547 0.1017 45.4949 34.4900
229 CA ASP 548 0.0634 44.4205 35.6000
237 CA TYR 549 0.0511 44.0771 33.9700
249 CA ALA 550 0.0322 43.5485 35.1300
254 CA LEU 551 0.0505 44.0607 34.7900
262 CA GLU 552 0.0567 44.2353 33.5700
271 CA SER 553 0.1236 46.1072 32.4500
277 CA GLY 554 0.1117 45.7721 32.7300
281 CA GLY 555 0.0884 45.1206 35.6400
285 CA ALA 556 0.0480 43.9919 31.0100
290 CA SER 557 0.0405 43.7802 42.4800
296 CA VAL 558 0.0296 43.4763 44.9200
303 CA ILE 559 0.0454 43.9174 53.7200
311 CA SER 560 0.0640 44.4390 74.1000
317 CA THR 561 0.1239 46.1158 71.2300
324 CA ARG 562 0.0520 44.1021 64.4300
335 CA CYS 563 0.0356 43.6445 55.8300
341 CA SER 564 0.0394 43.7513 48.2200
347 CA GLU 565 0.0686 44.5677 56.1200
356 CA THR 566 0.0394 43.7495 52.1200
363 CA TYR 567 0.0463 43.9432 52.1700
375 CA GLU 568 0.0576 44.2590 58.5500
384 CA THR 569 0.0522 44.1087 61.4300
391 CA LYS 570 0.0778 44.8250 66.7200
400 CA THR 571 0.1352 46.4311 90.4000
407 CA ALA 572 0.2627 49.9979 74.3800
412 CA LEU 573 0.2308 49.1071 82.4200
420 CA LEU 574 0.1836 47.7861 112.1100
428 CA SER 575 0.3213 51.6372 108.3800
434 CA LEU 576 0.4416 55.0044 113.6300
442 CA PHE 577 0.4741 55.9148 99.6900
453 CA GLY 578 0.4228 54.4785 98.7600
457 CA ILE 579 0.3349 52.0176 79.6700
465 CA PRO 580 0.4281 54.6279 69.6000
472 CA LEU 581 0.6223 60.0597 75.9000
480 CA TRP 582 0.4720 55.8558 69.8200
494 CA TYR 583 0.2173 48.7291 61.5400
506 CA HIS 584 0.1408 46.5872 75.6700
507 CA HIS 584 0.1414 46.6033 75.0300
523 CA SER 585 0.0682 44.5562 69.7800
529 CA GLN 586 0.0361 43.6571 57.5100
538 CA SER 587 0.0327 43.5624 44.8600
544 CA PRO 588 0.0207 43.2261 44.2800
551 CA ARG 589 0.0289 43.4558 41.1300
562 CA VAL 590 0.0278 43.4265 30.0900
569 CA ILE 591 0.0182 43.1582 34.5700
577 CA LEU 592 0.0294 43.4692 31.4800
585 CA GLN 593 0.0497 44.0389 34.8700
594 CA PRO 594 0.0694 44.5899 32.8100
601 CA ASP 595 0.0898 45.1617 33.7100
609 CA VAL 596 0.0689 44.5755 34.3300
616 CA HIS 597 0.1095 45.7123 31.6000
626 CA PRO 598 0.0856 45.0435 32.0800
633 CA GLY 599 0.0582 44.2763 28.5900
637 CA ASN 600 0.0489 44.0150 34.6500
645 CA CYS 601 0.0261 43.3775 36.9000
651 CA TRP 602 0.0169 43.1211 39.2500
665 CA ALA 603 0.0210 43.2341 45.1600
670 CA PHE 604 0.0288 43.4532 45.3600
681 CA GLN 605 0.0525 44.1176 49.8900
690 CA GLY 606 0.0648 44.4601 47.2300
694 CA PRO 607 0.0538 44.1524 46.3900
701 CA GLN 608 0.0483 43.9980 48.8800
710 CA GLY 609 0.0315 43.5299 39.2200
714 CA PHE 610 0.0210 43.2343 45.8000
725 CA ALA 611 0.0140 43.0409 43.4500
730 CA VAL 612 0.0181 43.1552 41.6000
737 CA VAL 613 0.0172 43.1298 37.9300
744 CA ARG 614 0.0310 43.5156 40.7000
755 CA LEU 615 0.0352 43.6335 36.8000
763 CA SER 616 0.0608 44.3478 35.7900
769 CA ALA 617 0.0691 44.5816 47.1700
774 CA ARG 618 0.0626 44.4005 43.8000
785 CA ILE 619 0.0589 44.2946 39.8600
793 CA ARG 620 0.0635 44.4244 38.2800
804 CA PRO 621 0.0489 44.0148 43.1600
811 CA THR 622 0.0723 44.6704 38.0800
818 CA ALA 623 0.0619 44.3789 32.6800
823 CA VAL 624 0.0421 43.8253 35.6500
830 CA THR 625 0.0488 44.0134 29.3100
837 CA LEU 626 0.0396 43.7556 39.3600
845 CA GLU 627 0.0529 44.1268 36.0300
854 CA HIS 628 0.0542 44.1645 34.0800
864 CA VAL 629 0.0786 44.8473 30.3700
871 CA PRO 630 0.1260 46.1725 35.8500
878 CA LYS 631 0.1512 46.8774 42.7800
887 CA ALA 632 0.2371 49.2834 38.3900
892 CA LEU 633 0.1773 47.6103 35.4500
900 CA SER 634 0.1488 46.8114 43.7600
901 CA SER 634 0.1486 46.8058 44.8000
909 CA PRO 635 0.2818 50.5340 51.5600
916 CA ASN 636 0.3234 51.6975 54.7800
924 CA SER 637 0.2046 48.3717 53.5200
930 CA THR 638 0.1556 47.0027 51.3200
937 CA ILE 639 0.0874 45.0927 45.3700
945 CA SER 640 0.0820 44.9430 44.0200
951 CA SER 641 0.0496 44.0359 40.8200
957 CA ALA 642 0.0452 43.9112 40.9000
962 CA PRO 643 0.0364 43.6660 43.6900
969 CA LYS 644 0.0582 44.2752 41.6200
978 CA ASP 645 0.0594 44.3093 40.1000
986 CA PHE 646 0.0381 43.7148 37.1000
997 CA ALA 647 0.0351 43.6311 40.4600
1002 CA ILE 648 0.0240 43.3196 40.1100
1010 CA PHE 649 0.0281 43.4342 40.7200
1021 CA GLY 650 0.0304 43.4973 39.1100
1025 CA PHE 651 0.0417 43.8133 49.9400
1036 CA ASP 652 0.0605 44.3403 76.6500
1044 CA GLU 653 0.0958 45.3295 96.4000
1053 CA ASP 654 0.1218 46.0560 135.0500
1061 CA LEU 655 0.1629 47.2063 123.6800
1069 CA GLN 656 0.0832 44.9747 103.5800
1078 CA GLN 657 0.1320 46.3425 102.1000
1087 CA GLU 658 0.1144 45.8492 100.0900
1096 CA GLY 659 0.0587 44.2905 63.0700
1100 CA THR 660 0.0589 44.2959 51.3600
1107 CA LEU 661 0.0557 44.2052 44.2900
1115 CA LEU 662 0.0462 43.9403 45.8200
1123 CA GLY 663 0.0562 44.2216 37.9600
1127 CA LYS 664 0.0620 44.3818 45.4800
1136 CA PHE 665 0.0654 44.4780 39.3800
1147 CA THR 666 0.0735 44.7054 40.6900
1154 CA TYR 667 0.0672 44.5278 36.9900
1166 CA ASP 668 0.1058 45.6073 38.3000
1174 CA GLN 669 0.1069 45.6404 45.4600
1183 CA ASP 670 0.1784 47.6398 49.8300
1191 CA GLY 671 0.1636 47.2258 41.1100
1195 CA GLU 672 0.1657 47.2843 40.9700
1204 CA PRO 673 0.1030 45.5311 32.0500
1211 CA ILE 674 0.0880 45.1090 34.4500
1219 CA GLN 675 0.0879 45.1061 36.7800
1228 CA THR 676 0.0800 44.8869 35.8000
1235 CA PHE 677 0.0742 44.7239 39.6400
1246 CA HIS 678 0.0927 45.2424 40.7500
1256 CA PHE 679 0.0788 44.8519 44.9000
1267 CA GLN 680 0.1501 46.8474 58.0600
1268 CA GLN 680 0.1501 46.8475 57.5700
1282 CA ALA 681 0.2691 50.1791 61.4300
1287 CA PRO 682 0.1179 45.9471 69.4100
1294 CA THR 683 0.1277 46.2203 59.4100
1301 CA MET 684 0.1265 46.1871 46.7000
1309 CA ALA 685 0.0820 44.9431 48.0900
1314 CA THR 686 0.0590 44.2999 47.9800
1321 CA TYR 687 0.0408 43.7908 42.5200
1333 CA GLN 688 0.0391 43.7409 43.5000
1342 CA VAL 689 0.0277 43.4238 41.2000
1349 CA VAL 690 0.0163 43.1031 39.9500
1356 CA GLU 691 0.0147 43.0604 41.3200
1365 CA LEU 692 0.0119 42.9807 37.0300
1373 CA ARG 693 0.0227 43.2816 40.6600
1384 CA ILE 694 0.0278 43.4247 41.8400
1392 CA LEU 695 0.0519 44.1004 48.6400
1400 CA THR 696 0.0615 44.3673 42.8600
1407 CA ASN 697 0.0560 44.2140 48.3900
1415 CA TRP 698 0.0785 44.8444 39.5100
1429 CA GLY 699 0.0984 45.4016 52.0300
1433 CA HIS 700 0.0817 44.9340 48.8400
1443 CA PRO 701 0.1165 45.9077 60.7300
1450 CA GLU 702 0.0843 45.0069 57.5300
1459 CA TYR 703 0.0446 43.8962 46.7900
1471 CA THR 704 0.0297 43.4784 42.3300
1478 CA CYS 705 0.0220 43.2635 39.5700
1479 CA CYS 705 0.0225 43.2779 42.0000
1487 CA ILE 706 0.0167 43.1161 33.9100
1495 CA TYR 707 0.0289 43.4562 34.2700
1507 CA ARG 708 0.0301 43.4894 32.0800
1518 CA PHE 709 0.0222 43.2702 31.4000
1529 CA ARG 710 0.0358 43.6507 28.5200
1540 CA VAL 711 0.0342 43.6036 34.2600
1547 CA HIS 712 0.0571 44.2462 35.0300
1557 CA GLY 713 0.0715 44.6481 43.3900
1561 CA GLU 714 0.1052 45.5928 38.8600
1570 CA PRO 715 0.1183 45.9587 57.5400
1577 CA ALA 716 0.3346 52.0108 68.0100
1582 CA HIS 717 0.9649 69.6486 90.4600

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.