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

* HYDROLASE 05-JAN-98 1JSF *

B-factor analysis for ID 2407241007361079528

Overall B-factor prediction

Correlation= 0.636 for 130 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 1 0.0065 15.5418 18.2500
26 CA VAL 2 0.0066 15.6001 14.6600
42 CA PHE 3 0.0033 13.5884 12.2900
62 CA GLU 4 0.0071 15.8962 16.5500
77 CA ARG 5 0.0037 13.8202 13.7000
101 CA CYS 6 0.0039 13.9360 12.4200
111 CA GLU 7 0.0042 14.0948 12.0700
126 CA LEU 8 0.0019 12.6662 10.9000
145 CA ALA 9 0.0020 12.7513 11.3600
155 CA ARG 10 0.0038 13.8465 12.2600
179 CA THR 11 0.0026 13.1500 11.6000
193 CA LEU 12 0.0017 12.5820 11.1800
212 CA LYS 13 0.0038 13.8514 11.9700
234 CA ARG 14 0.0092 17.2112 12.9600
258 CA LEU 15 0.0040 13.9696 11.7100
277 CA GLY 16 0.0046 14.4005 13.4800
284 CA MET 17 0.0021 12.8414 11.6000
301 CA ASP 18 0.0038 13.8967 14.4100
313 CA GLY 19 0.0073 16.0605 15.0500
320 CA TYR 20 0.0038 13.8546 11.9500
341 CA ARG 21 0.0070 15.8396 14.2800
365 CA GLY 22 0.0228 25.6828 12.7600
372 CA ILE 23 0.0032 13.4947 11.7700
391 CA SER 24 0.0038 13.8898 11.9700
402 CA LEU 25 0.0021 12.8143 12.2300
421 CA ALA 26 0.0024 12.9877 12.1600
431 CA ASN 27 0.0019 12.6656 11.7200
445 CA TRP 28 0.0013 12.3009 10.7700
469 CA MET 29 0.0014 12.3905 10.6100
486 CA CYS 30 0.0018 12.6338 11.4700
496 CA LEU 31 0.0015 12.4762 12.2700
515 CA ALA 32 0.0017 12.5608 11.1200
525 CA LYS 33 0.0028 13.2597 12.8800
547 CA TRP 34 0.0047 14.4152 13.4600
571 CA GLU 35 0.0026 13.1160 13.1100
586 CA SER 36 0.0031 13.4668 13.2500
597 CA GLY 37 0.0044 14.2634 14.6200
604 CA TYR 38 0.0028 13.2290 12.4100
625 CA ASN 39 0.0037 13.8078 13.0000
639 CA THR 40 0.0031 13.4358 12.6800
653 CA ARG 41 0.0055 14.9089 16.4600
677 CA ALA 42 0.0042 14.0954 15.2400
687 CA THR 43 0.0059 15.1913 16.6300
701 CA ASN 44 0.0110 18.3313 17.3600
715 CA TYR 45 0.0132 19.6830 19.2600
736 CA ASN 46 0.0156 21.1936 18.0700
750 CA ALA 47 0.0344 32.8272 23.8000
760 CA GLY 48 0.0584 47.7160 22.0700
767 CA ASP 49 0.0210 24.5552 20.3500
779 CA ARG 50 0.0137 20.0437 19.6800
803 CA SER 51 0.0061 15.2781 15.6200
814 CA THR 52 0.0041 14.0603 11.9400
828 CA ASP 53 0.0033 13.5805 12.5900
840 CA TYR 54 0.0025 13.0620 11.1000
861 CA GLY 55 0.0024 12.9983 11.2200
868 CA THR 56 0.0018 12.6318 11.0600
882 CA PHE 57 0.0016 12.4854 11.5800
902 CA GLN 58 0.0024 13.0258 11.5900
919 CA ILE 59 0.0018 12.6325 12.6900
938 CA ASN 60 0.0029 13.3308 12.2300
952 CA SER 61 0.0026 13.1328 12.0900
963 CA ARG 62 0.0053 14.8302 16.6100
987 CA TYR 63 0.0052 14.7530 17.9700
1008 CA TRP 64 0.0025 13.0892 13.1500
1032 CA CYS 65 0.0024 12.9967 12.6000
1042 CA ASN 66 0.0046 14.3484 12.0700
1056 CA ASP 67 0.0063 15.4341 13.4200
1068 CA GLY 68 0.0271 28.2936 14.7100
1075 CA LYS 69 0.0157 21.2800 17.6000
1097 CA THR 70 0.0077 16.2816 18.0100
1111 CA PRO 71 0.0194 23.5495 23.9600
1125 CA GLY 72 0.0355 33.5188 31.9800
1132 CA ALA 73 0.0086 16.8468 26.1000
1142 CA VAL 74 0.0115 18.6323 27.9900
1158 CA ASN 75 0.0059 15.1520 17.5800
1172 CA ALA 76 0.0058 15.1276 15.8400
1182 CA CYS 77 0.0038 13.8705 15.1500
1192 CA HIS 78 0.0135 19.9134 16.7100
1209 CA LEU 79 0.0049 14.5301 16.1400
1228 CA SER 80 0.0062 15.3788 13.2300
1239 CA CYS 81 0.0030 13.3545 11.8200
1249 CA SER 82 0.0065 15.5309 13.5400
1260 CA ALA 83 0.0046 14.3412 12.5600
1270 CA LEU 84 0.0023 12.9312 12.7100
1289 CA LEU 85 0.0040 13.9756 13.5400
1308 CA GLN 86 0.0055 14.9055 14.0100
1325 CA ASP 87 0.0070 15.8677 14.6100
1337 CA ASN 88 0.0071 15.9262 17.7900
1351 CA ILE 89 0.0026 13.1177 12.7000
1370 CA ALA 90 0.0046 14.3511 11.8800
1380 CA ASP 91 0.0039 13.9211 13.0600
1392 CA ALA 92 0.0020 12.7864 12.9200
1402 CA VAL 93 0.0022 12.8786 11.5800
1418 CA ALA 94 0.0029 13.3161 14.0300
1428 CA CYS 95 0.0022 12.8805 11.4600
1438 CA ALA 96 0.0018 12.6192 11.0900
1448 CA LYS 97 0.0026 13.1451 11.6700
1470 CA ARG 98 0.0033 13.5935 12.8700
1494 CA VAL 99 0.0023 12.9567 12.3300
1510 CA VAL 100 0.0026 13.1497 12.6500
1526 CA ARG 101 0.0053 14.7931 17.7800
1550 CA ASP 102 0.0068 15.7273 18.6000
1562 CA PRO 103 0.0195 23.5969 24.3900
1576 CA GLN 104 0.0101 17.7697 21.2300
1593 CA GLY 105 0.0044 14.2470 17.9100
1600 CA ILE 106 0.0026 13.1276 17.1100
1619 CA ARG 107 0.0052 14.7299 17.1300
1643 CA ALA 108 0.0049 14.5740 21.5800
1653 CA TRP 109 0.0034 13.6163 16.7900
1677 CA VAL 110 0.0092 17.2506 20.7700
1693 CA ALA 111 0.0055 14.9242 20.0800
1703 CA TRP 112 0.0034 13.6041 14.2700
1727 CA ARG 113 0.0067 15.6996 16.4300
1751 CA ASN 114 0.0107 18.1540 17.9900
1765 CA ARG 115 0.0064 15.5178 17.3800
1789 CA CYS 116 0.0041 14.0658 14.6700
1799 CA GLN 117 0.0076 16.2325 18.2000
1816 CA ASN 118 0.0276 28.6146 28.5500
1830 CA ARG 119 0.0135 19.9137 29.4100
1854 CA ASP 120 0.0226 25.5463 27.3500
1866 CA VAL 121 0.0049 14.5469 21.1300
1882 CA ARG 122 0.0101 17.8014 27.6500
1906 CA GLN 123 0.0079 16.3943 28.1900
1923 CA TYR 124 0.0030 13.3517 20.5700
1944 CA VAL 125 0.0036 13.7758 19.0400
1960 CA GLN 126 0.0115 18.6615 29.0600
1977 CA GLY 127 0.0300 30.1377 25.3300
1984 CA CYS 128 0.0070 15.8426 20.3700
1994 CA GLY 129 0.0226 25.5499 29.2900
2001 CA VAL 130 0.0080 16.5044 25.2700

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.