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

* HYDROLASE 05-JAN-05 1YGU *

B-factor analysis for ID 240221103939287022

Overall B-factor prediction

Correlation= 0.413 for 291 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 LYS 600 0.1040 101.6935 90.4900
11 CA GLN 601 0.0997 100.3707 90.9300
20 CA LEU 602 0.0404 82.1227 90.8000
28 CA ASN 604 0.1310 109.9840 94.6400
36 CA VAL 605 0.0360 80.7851 92.4600
43 CA GLU 606 0.0431 82.9448 91.4700
52 CA PRO 607 0.0252 77.4472 87.9500
59 CA ILE 608 0.0193 75.6312 86.2900
67 CA HIS 609 0.0242 77.1407 89.0600
77 CA ALA 610 0.0271 78.0300 89.3400
82 CA ASP 611 0.0419 82.5952 91.2200
90 CA ILE 612 0.0293 78.7250 89.5700
98 CA LEU 613 0.0170 74.9178 88.8000
106 CA LEU 614 0.0234 76.9065 89.1000
114 CA GLU 615 0.0295 78.7679 91.6800
123 CA THR 616 0.0229 76.7260 91.5100
130 CA TYR 617 0.0165 74.7698 91.3000
142 CA LYS 618 0.0358 80.6955 89.1000
151 CA ARG 619 0.0388 81.6241 87.2200
162 CA LYS 620 0.0215 76.3212 87.0100
171 CA ILE 621 0.0262 77.7574 90.0200
179 CA ALA 622 0.0675 90.4622 96.2800
184 CA ASP 623 0.1093 103.3261 100.7100
192 CA GLU 624 0.0984 99.9733 101.8200
201 CA GLY 625 0.0450 83.5370 100.9400
205 CA ARG 626 0.0492 84.8349 97.6300
216 CA PRO 627 0.0322 79.5970 92.1500
223 CA PHE 628 0.0135 73.8439 88.4300
234 CA LEU 629 0.0193 75.6190 88.8600
242 CA ALA 630 0.0230 76.7744 90.6100
247 CA GLU 631 0.0149 74.2745 89.4600
256 CA PHE 632 0.0102 72.8478 87.9000
267 CA GLN 633 0.0188 75.4690 85.8400
276 CA SER 634 0.0177 75.1483 83.2600
282 CA ILE 635 0.0116 73.2531 82.8000
290 CA PRO 636 0.0125 73.5387 82.8400
297 CA ARG 637 0.0113 73.1858 83.6900
308 CA VAL 638 0.0126 73.5694 83.9500
315 CA PHE 639 0.0142 74.0664 81.2800
326 CA SER 640 0.0481 84.4835 83.6800
332 CA LYS 641 0.0487 84.6883 81.1900
341 CA PHE 642 0.0194 75.6677 78.8400
352 CA PRO 643 0.0240 77.0869 78.3700
359 CA ILE 644 0.0163 74.7020 77.3100
367 CA LYS 645 0.0227 76.6767 79.4700
376 CA GLU 646 0.0119 73.3474 81.0200
385 CA ALA 647 0.0098 72.7077 80.3500
390 CA ARG 648 0.0175 75.0718 77.7900
401 CA LYS 649 0.0221 76.4918 74.8800
410 CA PRO 650 0.0382 81.4370 73.6300
417 CA PHE 651 0.0311 79.2695 75.7500
428 CA ASN 652 0.0145 74.1664 80.0400
436 CA GLN 653 0.0167 74.8358 84.5000
445 CA ASN 654 0.0213 76.2470 77.2100
453 CA LYS 655 0.0110 73.0702 73.7800
462 CA ASN 656 0.0078 72.1038 72.5500
470 CA ARG 657 0.0078 72.0981 73.0400
481 CA TYR 658 0.0101 72.8041 72.7700
493 CA VAL 659 0.0139 73.9647 77.4400
500 CA ASP 660 0.0133 73.7824 77.9600
508 CA ILE 661 0.0080 72.1720 75.1500
516 CA LEU 662 0.0077 72.0710 72.2700
524 CA PRO 663 0.0069 71.8192 74.1900
531 CA TYR 664 0.0081 72.2037 73.9800
543 CA ASP 665 0.0110 73.0885 70.9000
551 CA TYR 666 0.0129 73.6570 67.2000
563 CA ASN 667 0.0102 72.8479 66.9900
571 CA ARG 668 0.0077 72.0802 66.5500
582 CA VAL 669 0.0082 72.2137 64.2700
589 CA GLU 670 0.0105 72.9173 66.8300
598 CA LEU 671 0.0114 73.2143 64.5500
606 CA SER 672 0.0329 79.8096 65.2800
612 CA GLU 673 0.0358 80.7230 63.8800
621 CA ILE 674 0.0675 90.4752 66.9300
629 CA ASN 675 0.1417 113.2827 71.5900
637 CA GLY 676 0.1909 128.4265 71.2500
641 CA ASP 677 0.1034 101.5008 75.3600
649 CA ALA 678 0.0826 95.0944 73.7500
654 CA GLY 679 0.0320 79.5381 72.2200
658 CA SER 680 0.0195 75.6911 66.9800
664 CA ASN 681 0.0146 74.1785 66.4800
672 CA TYR 682 0.0082 72.2218 64.9200
684 CA ILE 683 0.0066 71.7372 62.7700
692 CA ASN 684 0.0051 71.2524 63.3200
700 CA ALA 685 0.0056 71.4242 62.1500
705 CA SER 686 0.0061 71.5778 59.8700
711 CA TYR 687 0.0067 71.7646 62.8200
723 CA ILE 688 0.0074 71.9663 65.4200
731 CA ASP 689 0.0094 72.5758 72.1600
739 CA GLY 690 0.0116 73.2653 72.4100
743 CA PHE 691 0.0137 73.9248 76.4300
754 CA LYS 692 0.0329 79.8097 78.1600
763 CA GLU 693 0.0241 77.1058 75.6500
772 CA PRO 694 0.0253 77.4908 70.7700
779 CA ARG 695 0.0119 73.3435 70.9400
790 CA LYS 696 0.0085 72.3211 67.1300
799 CA TYR 697 0.0068 71.8031 64.8600
811 CA ILE 698 0.0052 71.2920 65.6200
819 CA ALA 699 0.0048 71.1877 68.0100
824 CA ALA 700 0.0044 71.0566 66.8100
829 CA GLN 701 0.0044 71.0429 65.3200
838 CA GLY 702 0.0058 71.4854 65.9200
842 CA PRO 703 0.0063 71.6343 63.6600
849 CA ARG 704 0.0103 72.8750 62.1200
860 CA ASP 705 0.0173 75.0186 64.9600
868 CA GLU 706 0.0229 76.7374 61.8200
877 CA THR 707 0.0112 73.1421 60.1500
884 CA VAL 708 0.0090 72.4512 62.7700
891 CA ASP 709 0.0097 72.6830 60.9500
899 CA ASP 710 0.0079 72.1158 60.9400
907 CA PHE 711 0.0058 71.4821 60.2000
918 CA TRP 712 0.0061 71.5642 57.8300
932 CA ARG 713 0.0073 71.9314 59.6900
943 CA ILE 715 0.0077 72.0734 63.5000
951 CA TRP 716 0.0092 72.5317 65.0500
965 CA GLU 717 0.0093 72.5575 61.8300
974 CA GLN 718 0.0104 72.9052 59.8300
983 CA LYS 719 0.0119 73.3532 61.3400
992 CA ALA 720 0.0088 72.3998 60.1100
997 CA THR 721 0.0086 72.3288 61.5300
1004 CA VAL 722 0.0075 72.0155 59.7000
1011 CA ILE 723 0.0044 71.0461 60.7500
1019 CA VAL 724 0.0044 71.0524 61.3200
1026 CA VAL 726 0.0053 71.3197 65.7300
1033 CA THR 727 0.0060 71.5308 70.3900
1040 CA ARG 728 0.0103 72.8591 73.4500
1051 CA CYS 729 0.0116 73.2552 76.2200
1057 CA GLU 730 0.0251 77.4102 82.3200
1066 CA GLU 731 0.0292 78.6742 87.2500
1075 CA GLY 732 0.1652 120.5046 91.0700
1079 CA ASN 733 0.1337 110.8310 91.7600
1087 CA ARG 734 0.0530 85.9891 89.8500
1098 CA ASN 735 0.0267 77.9156 84.7600
1106 CA LYS 736 0.0100 72.7687 79.5900
1115 CA CYS 737 0.0088 72.4092 73.2200
1121 CA ALA 738 0.0105 72.9413 69.8300
1126 CA GLU 739 0.0091 72.4891 70.8300
1135 CA TYR 740 0.0067 71.7724 70.0500
1147 CA TRP 741 0.0073 71.9533 77.0500
1161 CA PRO 742 0.0179 75.2121 82.3400
1168 CA SER 743 0.0304 79.0584 86.9100
1174 CA GLU 745 0.1478 115.1699 91.0400
1183 CA GLU 746 0.0709 91.5184 88.0800
1192 CA GLY 747 0.0337 80.0753 83.7400
1196 CA THR 748 0.0261 77.7193 77.7400
1203 CA ARG 749 0.0198 75.7903 73.5900
1214 CA ALA 750 0.0196 75.7237 73.6700
1219 CA PHE 751 0.0130 73.6924 74.8600
1230 CA GLY 752 0.0203 75.9303 75.0600
1234 CA ASP 753 0.0254 77.5022 72.7400
1242 CA VAL 754 0.0131 73.7154 72.2100
1249 CA VAL 755 0.0139 73.9813 72.8000
1256 CA VAL 756 0.0106 72.9672 74.0600
1263 CA LYS 757 0.0154 74.4390 73.4600
1272 CA ILE 758 0.0141 74.0482 77.2000
1280 CA ASN 759 0.0242 77.1467 79.8300
1288 CA GLN 760 0.0285 78.4633 82.6800
1297 CA HIS 761 0.0244 77.2028 83.9600
1307 CA LYS 762 0.0258 77.6331 85.7100
1316 CA ARG 763 0.0372 81.1503 85.1900
1327 CA CYS 764 0.0319 79.4995 81.6500
1333 CA PRO 765 0.0411 82.3506 77.7800
1340 CA ASP 766 0.0142 74.0615 78.5500
1348 CA TYR 767 0.0110 73.0957 79.8600
1360 CA ILE 768 0.0109 73.0459 77.8900
1368 CA ILE 769 0.0102 72.8322 74.6900
1376 CA GLN 770 0.0096 72.6367 74.9500
1385 CA LYS 771 0.0111 73.1006 76.6900
1394 CA LEU 772 0.0090 72.4779 75.8000
1402 CA ASN 773 0.0117 73.3073 74.9500
1410 CA ILE 774 0.0102 72.8452 73.5800
1418 CA VAL 775 0.0183 75.3329 75.5600
1425 CA ASN 776 0.0216 76.3544 78.5000
1433 CA LYS 777 0.0492 84.8408 82.1400
1442 CA LYS 778 0.0841 95.5744 84.1900
1451 CA GLU 779 0.0760 93.0747 86.7000
1460 CA LYS 780 0.1034 101.5035 86.6300
1469 CA ALA 781 0.0501 85.1022 84.9700
1474 CA THR 782 0.0584 87.6529 81.0100
1481 CA GLY 783 0.0188 75.4680 78.5300
1485 CA ARG 784 0.0160 74.6203 75.5500
1496 CA GLU 785 0.0129 73.6589 73.7700
1505 CA VAL 786 0.0084 72.2839 70.3900
1512 CA THR 787 0.0075 72.0017 66.8800
1519 CA HIS 788 0.0064 71.6550 65.2100
1529 CA ILE 789 0.0065 71.7033 64.8600
1537 CA GLN 790 0.0068 71.7864 68.2300
1546 CA PHE 791 0.0078 72.1107 72.3300
1557 CA THR 792 0.0093 72.5722 73.0600
1564 CA SER 793 0.0105 72.9278 74.0500
1570 CA TRP 794 0.0083 72.2496 75.6200
1584 CA PRO 795 0.0101 72.7905 75.5200
1591 CA ASP 796 0.0099 72.7507 75.3200
1599 CA HIS 797 0.0128 73.6309 76.9200
1609 CA GLY 798 0.0105 72.9186 76.5400
1613 CA VAL 799 0.0092 72.5206 76.5500
1620 CA PRO 800 0.0104 72.8993 77.0900
1627 CA GLU 801 0.0221 76.4914 80.9600
1636 CA ASP 802 0.0209 76.1345 78.3800
1644 CA PRO 803 0.0113 73.1776 76.4900
1651 CA HIS 804 0.0144 74.1137 74.6600
1661 CA LEU 805 0.0103 72.8500 74.0600
1669 CA LEU 806 0.0079 72.1138 76.7000
1677 CA LEU 807 0.0101 72.8110 82.1800
1685 CA LYS 808 0.0109 73.0527 83.8700
1694 CA LEU 809 0.0086 72.3515 80.6700
1702 CA ARG 810 0.0078 72.1031 79.7800
1713 CA ARG 811 0.0164 74.7479 83.2200
1724 CA ARG 812 0.0126 73.5815 80.3300
1735 CA VAL 813 0.0105 72.9206 74.0500
1742 CA ASN 814 0.0165 74.7810 71.2600
1750 CA ALA 815 0.0253 77.4722 73.0300
1755 CA PHE 816 0.0210 76.1489 76.2800
1766 CA SER 817 0.0234 76.9037 77.0000
1772 CA ASN 818 0.0200 75.8455 75.3500
1780 CA PHE 819 0.0332 79.9161 70.2900
1791 CA PHE 820 0.0288 78.5624 62.3300
1802 CA SER 821 0.0403 82.0843 62.4800
1808 CA GLY 822 0.0152 74.3879 62.2900
1812 CA PRO 823 0.0079 72.1181 63.6900
1819 CA ILE 824 0.0068 71.7854 63.2500
1827 CA VAL 825 0.0045 71.0829 63.9400
1834 CA VAL 826 0.0043 71.0160 64.3100
1841 CA HIS 827 0.0042 71.0035 63.9000
1851 CA SER 828 0.0043 71.0256 66.8500
1857 CA SER 829 0.0060 71.5318 67.8300
1863 CA ALA 830 0.0055 71.3831 69.7400
1868 CA GLY 831 0.0045 71.0957 70.5500
1872 CA VAL 832 0.0047 71.1415 71.4300
1879 CA GLY 833 0.0060 71.5425 72.1700
1883 CA ARG 834 0.0054 71.3721 71.8200
1894 CA THR 835 0.0043 71.0091 71.8200
1901 CA GLY 836 0.0044 71.0546 71.3900
1905 CA THR 837 0.0048 71.1636 71.3000
1912 CA TYR 838 0.0043 71.0323 73.1900
1924 CA ILE 839 0.0049 71.2175 75.1100
1932 CA GLY 840 0.0048 71.1840 75.0500
1936 CA ILE 841 0.0056 71.4136 75.6300
1944 CA ASP 842 0.0064 71.6561 77.1000
1952 CA ALA 843 0.0075 72.0108 77.2000
1957 CA LEU 845 0.0101 72.8105 79.0700
1965 CA GLU 846 0.0136 73.8667 81.6300
1974 CA GLY 847 0.0201 75.8897 83.4300
1978 CA LEU 848 0.0169 74.8889 86.7200
1986 CA GLU 849 0.0309 79.2035 92.1300
1995 CA ALA 850 0.0389 81.6633 91.6100
2000 CA GLU 851 0.0406 82.1749 88.3200
2009 CA ASN 852 0.0312 79.2930 83.1900
2017 CA LYS 853 0.0202 75.9107 78.4600
2026 CA VAL 854 0.0167 74.8260 77.2400
2033 CA ASP 855 0.0136 73.8819 77.5600
2041 CA VAL 856 0.0082 72.2186 75.5500
2048 CA TYR 857 0.0096 72.6541 74.0000
2060 CA GLY 858 0.0109 73.0490 76.2300
2064 CA TYR 859 0.0067 71.7665 75.7600
2076 CA VAL 860 0.0062 71.6144 76.3000
2083 CA VAL 861 0.0084 72.2924 77.1300
2090 CA LYS 862 0.0082 72.2344 77.5900
2099 CA LEU 863 0.0069 71.8237 76.2400
2107 CA ARG 864 0.0069 71.8240 78.6500
2118 CA ARG 865 0.0087 72.3818 78.3500
2129 CA GLN 866 0.0078 72.0814 72.6600
2138 CA ARG 867 0.0057 71.4557 69.9200
2149 CA CYS 868 0.0062 71.5919 74.9400
2155 CA LEU 869 0.0070 71.8540 76.0500
2163 CA VAL 871 0.0057 71.4395 82.5600
2170 CA GLN 872 0.0072 71.9126 82.5800
2179 CA VAL 873 0.0100 72.7611 83.3700
2186 CA GLU 874 0.0101 72.8121 85.0100
2195 CA ALA 875 0.0089 72.4229 85.3400
2200 CA GLN 876 0.0064 71.6609 86.5200
2209 CA TYR 877 0.0073 71.9386 85.8700
2221 CA ILE 878 0.0073 71.9542 83.8300
2229 CA LEU 879 0.0059 71.5136 83.5300
2237 CA ILE 880 0.0053 71.3421 83.8200
2245 CA HIS 881 0.0065 71.7112 82.1300
2255 CA GLN 882 0.0081 72.1976 81.4000
2264 CA ALA 883 0.0078 72.1045 82.0200
2269 CA LEU 884 0.0077 72.0697 82.3700
2277 CA VAL 885 0.0126 73.5727 82.6500
2284 CA GLU 886 0.0149 74.2906 85.0100
2293 CA TYR 887 0.0171 74.9464 87.3500
2305 CA ASN 888 0.0194 75.6673 87.7900
2313 CA GLN 889 0.0548 86.5480 88.1300
2322 CA PHE 890 0.0814 94.7227 88.0500
2333 CA PRO 2002 0.0820 94.9089 81.7600
2340 CA THR 2003 0.2128 135.1656 80.9800
2347 CA SER 2005 0.1134 104.5794 87.7200
2354 CA PRO 2002 0.0513 85.4918 86.8000
2361 CA THR 2003 0.0393 81.8009 85.8500
2368 CA SER 2005 0.0314 79.3607 84.1300

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.