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

* Lyzozyme_1aki_clean_H *

B-factor analysis for ID 250228134049613773

Overall B-factor prediction

Correlation= 0.670 for 129 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 0.0072 17.4781 21.1200
26 CA VAL 2 0.0064 17.1272 18.1000
42 CA PHE 3 0.0033 15.7772 17.4300
62 CA GLY 4 0.0068 17.3165 16.3400
69 CA ARG 5 0.0036 15.9233 15.9100
93 CA CYS 6 0.0042 16.1804 14.6200
103 CA GLU 7 0.0047 16.3907 13.8300
118 CA LEU 8 0.0019 15.2024 12.7200
137 CA ALA 9 0.0020 15.2336 13.2500
147 CA ALA 10 0.0038 15.9916 16.5800
157 CA ALA 11 0.0029 15.6324 15.2300
167 CA MET 12 0.0018 15.1510 13.6900
184 CA LYS 13 0.0037 15.9477 14.5800
206 CA ARG 14 0.0093 18.3754 17.6600
230 CA HIS 15 0.0039 16.0565 15.9900
247 CA GLY 16 0.0042 16.1991 18.7100
254 CA LEU 17 0.0022 15.3002 15.3800
273 CA ASP 18 0.0034 15.8581 16.2500
285 CA ASN 19 0.0065 17.1772 17.1900
299 CA TYR 20 0.0038 16.0065 15.5400
320 CA ARG 21 0.0073 17.5172 15.6800
344 CA GLY 22 0.0122 19.6493 17.7200
351 CA TYR 23 0.0034 15.8357 15.4200
372 CA SER 24 0.0037 15.9877 16.8900
383 CA LEU 25 0.0020 15.2547 13.1600
402 CA GLY 26 0.0021 15.2739 13.8800
409 CA ASN 27 0.0019 15.1836 14.7400
423 CA TRP 28 0.0013 14.9247 16.4900
447 CA VAL 29 0.0014 14.9616 14.1500
463 CA CYS 30 0.0019 15.1889 15.5900
473 CA ALA 31 0.0017 15.1039 15.8200
483 CA ALA 32 0.0017 15.1225 13.0800
493 CA LYS 33 0.0028 15.5799 16.1600
515 CA PHE 34 0.0045 16.3168 17.5100
535 CA GLU 35 0.0027 15.5185 15.4500
550 CA SER 36 0.0030 15.6825 17.7900
561 CA ASN 37 0.0048 16.4232 20.8500
575 CA PHE 38 0.0026 15.4957 14.7500
595 CA ASN 39 0.0036 15.9050 16.7700
609 CA THR 40 0.0031 15.6975 16.0800
623 CA GLN 41 0.0053 16.6775 16.6700
640 CA ALA 42 0.0043 16.2075 17.4200
650 CA THR 43 0.0067 17.2414 17.7300
664 CA ASN 44 0.0111 19.1644 19.5100
678 CA ARG 45 0.0135 20.2006 18.3700
702 CA ASN 46 0.0165 21.5023 20.1000
716 CA THR 47 0.0497 35.7840 19.1200
730 CA ASP 48 0.0255 25.3496 17.3300
742 CA GLY 49 0.0136 20.2404 17.2700
749 CA SER 50 0.0061 17.0203 14.2800
760 CA THR 51 0.0042 16.1876 13.8200
774 CA ASP 52 0.0036 15.9043 13.4300
786 CA TYR 53 0.0026 15.4776 13.6100
807 CA GLY 54 0.0024 15.4270 15.6700
814 CA ILE 55 0.0019 15.1969 14.0100
833 CA LEU 56 0.0016 15.0637 14.9600
852 CA GLN 57 0.0025 15.4504 11.5500
869 CA ILE 58 0.0018 15.1684 16.0900
888 CA ASN 59 0.0028 15.5939 10.6000
902 CA SER 60 0.0026 15.5069 13.8100
913 CA ARG 61 0.0054 16.6905 18.5400
937 CA TRP 62 0.0052 16.5979 16.0600
961 CA TRP 63 0.0025 15.4468 15.2100
985 CA CYS 64 0.0023 15.3767 15.7600
995 CA ASN 65 0.0046 16.3533 16.4600
1009 CA ASP 66 0.0065 17.1803 15.2800
1021 CA GLY 67 0.0283 26.5772 19.4000
1028 CA ARG 68 0.0173 21.8190 19.7700
1052 CA THR 69 0.0084 17.9754 20.0200
1066 CA PRO 70 0.0237 24.5925 21.7300
1080 CA GLY 71 0.0276 26.2620 24.0300
1087 CA SER 72 0.0079 17.7971 26.9400
1098 CA ARG 73 0.0100 18.7003 22.6000
1122 CA ASN 74 0.0053 16.6609 18.8700
1136 CA LEU 75 0.0063 17.0899 14.8200
1155 CA CYS 76 0.0040 16.0787 16.4600
1165 CA ASN 77 0.0093 18.3720 19.1800
1179 CA ILE 78 0.0048 16.4409 20.1400
1198 CA PRO 79 0.0070 17.3744 19.1200
1212 CA CYS 80 0.0029 15.6151 14.3300
1222 CA SER 81 0.0072 17.4745 15.6400
1233 CA ALA 82 0.0054 16.6968 18.0100
1243 CA LEU 83 0.0025 15.4568 18.6600
1262 CA LEU 84 0.0043 16.2470 16.3800
1281 CA SER 85 0.0048 16.4490 20.8600
1292 CA SER 86 0.0072 17.4697 20.4400
1303 CA ASP 87 0.0077 17.6777 18.7200
1315 CA ILE 88 0.0026 15.5098 16.2200
1334 CA THR 89 0.0049 16.4704 16.8700
1348 CA ALA 90 0.0036 15.9226 16.6300
1358 CA SER 91 0.0020 15.2422 11.3500
1369 CA VAL 92 0.0023 15.3558 13.4400
1385 CA ASN 93 0.0034 15.8196 15.1000
1399 CA CYS 94 0.0024 15.3880 13.5800
1409 CA ALA 95 0.0020 15.2257 15.6300
1419 CA LYS 96 0.0029 15.6252 13.2700
1441 CA LYS 97 0.0041 16.1250 16.4300
1463 CA ILE 98 0.0028 15.5592 16.3600
1482 CA VAL 99 0.0033 15.7797 18.7100
1498 CA SER 100 0.0073 17.5368 23.8100
1509 CA ASP 101 0.0120 19.5616 26.9800
1521 CA GLY 102 0.0405 31.8353 30.6700
1528 CA ASN 103 0.0176 21.9599 25.2200
1542 CA GLY 104 0.0053 16.6488 19.5100
1549 CA MET 105 0.0031 15.6908 16.0700
1566 CA ASN 106 0.0065 17.1771 18.5800
1580 CA ALA 107 0.0050 16.5327 18.7400
1590 CA TRP 108 0.0034 15.8314 14.6800
1614 CA VAL 109 0.0080 17.8158 19.9600
1630 CA ALA 110 0.0051 16.5606 18.7800
1640 CA TRP 111 0.0033 15.7885 15.7400
1664 CA ARG 112 0.0065 17.1856 19.6000
1688 CA ASN 113 0.0112 19.2181 20.1600
1702 CA ARG 114 0.0079 17.7737 21.4300
1726 CA CYS 115 0.0043 16.2132 15.0800
1736 CA LYS 116 0.0078 17.7353 19.1400
1758 CA GLY 117 0.0386 31.0211 29.0600
1765 CA THR 118 0.0170 21.6927 22.3100
1779 CA ASP 119 0.0225 24.0819 22.6100
1791 CA VAL 120 0.0042 16.1785 20.1000
1807 CA GLN 121 0.0070 17.3726 21.1200
1824 CA ALA 122 0.0079 17.7800 19.4600
1834 CA TRP 123 0.0030 15.6796 16.7600
1858 CA ILE 124 0.0036 15.9057 16.8200
1877 CA ARG 125 0.0141 20.4455 19.1200
1901 CA GLY 126 0.0303 27.4483 21.2800
1908 CA CYS 127 0.0106 18.9358 19.1300
1918 CA ARG 128 0.0348 29.3806 28.2900
1942 CA LEU 129 0.0149 20.7734 26.8900

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.