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

* 1bkz_monomerB_OPT *

B-factor analysis for ID 240416193437756903

Overall B-factor prediction

Correlation= 0.715 for 135 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 SER 1 0.0934 124.7800 82.7300
15 CA ASN 2 0.0340 65.0788 76.0400
29 CA VAL 3 0.0364 67.5343 60.0100
45 CA PRO 4 0.0090 40.0037 43.0600
59 CA HIS 5 0.0046 35.5333 31.6300
76 CA LYS 6 0.0041 35.0354 28.7600
98 CA SER 7 0.0032 34.1770 30.6400
109 CA SER 8 0.0048 35.7947 34.9700
120 CA LEU 9 0.0035 34.4054 42.2500
139 CA PRO 10 0.0231 54.1601 54.5700
153 CA GLU 11 0.0243 55.3474 60.1600
168 CA GLY 12 0.0046 35.5885 51.5900
175 CA ILE 13 0.0024 33.3189 39.9800
194 CA ARG 14 0.0062 37.1335 35.7200
218 CA PRO 15 0.0068 37.7820 29.3200
232 CA GLY 16 0.0067 37.6775 25.5900
239 CA THR 17 0.0031 34.0786 25.0400
253 CA VAL 18 0.0027 33.6075 23.9200
269 CA LEU 19 0.0016 32.4961 22.7900
288 CA ARG 20 0.0026 33.4839 25.4000
312 CA ILE 21 0.0016 32.5176 28.4100
331 CA ARG 22 0.0032 34.1368 30.6000
355 CA GLY 23 0.0036 34.5412 33.3100
362 CA LEU 24 0.0045 35.4568 40.5600
381 CA VAL 25 0.0030 33.9829 43.1800
397 CA PRO 26 0.0056 36.5641 49.1800
411 CA PRO 27 0.0128 43.8309 50.2600
425 CA ASN 28 0.0200 51.0192 52.9800
439 CA ALA 29 0.0054 36.3375 46.0400
449 CA SER 30 0.0059 36.8730 40.4800
460 CA ARG 31 0.0034 34.3702 37.5500
484 CA PHE 32 0.0019 32.8613 30.4700
504 CA HIS 33 0.0019 32.8068 29.9800
521 CA VAL 34 0.0012 32.1493 22.3800
537 CA ASN 35 0.0015 32.3953 23.5300
551 CA LEU 36 0.0011 31.9829 24.6800
570 CA LEU 37 0.0017 32.6675 26.1900
589 CA CYS 38 0.0026 33.4894 33.1400
600 CA GLY 39 0.0045 35.4615 37.1000
607 CA GLU 40 0.0072 38.1937 45.2300
622 CA GLU 41 0.0170 48.0336 53.7000
637 CA GLN 42 0.0500 81.1986 54.6500
654 CA GLY 43 0.0369 68.0144 50.3400
661 CA SER 44 0.0071 38.1011 42.1600
672 CA ASP 45 0.0036 34.5488 38.5900
684 CA ALA 46 0.0019 32.8706 33.6800
694 CA ALA 47 0.0013 32.2740 30.4700
704 CA LEU 48 0.0011 31.9822 28.0300
723 CA HIS 49 0.0016 32.5413 28.5300
740 CA PHE 50 0.0012 32.0953 30.1500
760 CA ASN 51 0.0019 32.8173 32.0800
774 CA PRO 52 0.0016 32.5144 36.8300
788 CA ARG 53 0.0031 34.0719 38.3900
812 CA LEU 54 0.0034 34.3624 42.1900
831 CA ASP 55 0.0091 40.0627 51.7900
843 CA THR 56 0.0101 41.1204 51.7900
857 CA SER 57 0.0081 39.0571 53.2900
868 CA GLU 58 0.0038 34.7699 50.4600
883 CA VAL 59 0.0020 32.9547 41.8400
899 CA VAL 60 0.0022 33.0953 36.3000
915 CA PHE 61 0.0018 32.7002 34.2500
935 CA ASN 62 0.0023 33.2478 35.8500
949 CA SER 63 0.0023 33.2687 37.6200
960 CA LYS 64 0.0038 34.7086 40.7800
982 CA GLU 65 0.0061 37.0163 50.6200
997 CA GLN 66 0.0234 54.4453 60.0500
1014 CA GLY 67 0.0129 43.8664 58.6000
1021 CA SER 68 0.0196 50.6480 56.9800
1032 CA TRP 69 0.0089 39.9096 55.4100
1056 CA GLY 70 0.0072 38.1577 45.5600
1063 CA ARG 71 0.0131 44.1103 49.6900
1087 CA GLU 72 0.0048 35.7891 46.1000
1102 CA GLU 73 0.0036 34.5735 39.7000
1117 CA ARG 74 0.0044 35.3318 43.3700
1141 CA GLY 75 0.0036 34.5798 44.0500
1148 CA PRO 76 0.0164 47.4300 44.5300
1162 CA GLY 77 0.0106 41.5629 44.5000
1169 CA VAL 78 0.0039 34.8872 40.8100
1185 CA PRO 79 0.0033 34.2563 40.5400
1199 CA PHE 80 0.0024 33.3392 42.0000
1219 CA GLN 81 0.0068 37.7664 49.4100
1236 CA ARG 82 0.0064 37.3691 47.9300
1260 CA GLY 83 0.0087 39.7090 47.9700
1267 CA GLN 84 0.0090 39.9984 45.7200
1284 CA PRO 85 0.0080 38.9767 40.1400
1298 CA PHE 86 0.0029 33.7941 36.0700
1318 CA GLU 87 0.0030 33.8944 34.1700
1333 CA VAL 88 0.0016 32.5777 30.9800
1349 CA LEU 89 0.0020 32.9093 26.7300
1368 CA ILE 90 0.0012 32.1200 25.1400
1387 CA ILE 91 0.0022 33.1509 24.1400
1406 CA ALA 92 0.0022 33.1398 23.8900
1416 CA SER 93 0.0041 35.0004 31.4000
1427 CA ASP 94 0.0123 43.2746 36.6000
1439 CA ASP 95 0.0098 40.7401 36.1900
1451 CA GLY 96 0.0035 34.3951 28.2000
1458 CA PHE 97 0.0015 32.4484 24.1600
1478 CA LYS 98 0.0026 33.5208 28.3300
1500 CA ALA 99 0.0018 32.7390 23.9100
1510 CA VAL 100 0.0029 33.8028 24.0300
1526 CA VAL 101 0.0028 33.7528 31.7900
1542 CA GLY 102 0.0108 41.7661 44.5800
1549 CA ASP 103 0.0183 49.3182 44.9900
1561 CA ALA 104 0.0157 46.7154 39.0000
1571 CA GLN 105 0.0055 36.4764 40.0100
1588 CA TYR 106 0.0033 34.2076 32.5600
1609 CA HIS 107 0.0029 33.8211 32.9400
1626 CA HIS 108 0.0036 34.5708 33.1100
1643 CA PHE 109 0.0020 32.9391 29.3400
1663 CA ARG 110 0.0048 35.7759 29.7200
1687 CA HIS 111 0.0034 34.3215 31.3900
1704 CA ARG 112 0.0036 34.5044 35.1800
1728 CA LEU 113 0.0034 34.3116 36.2500
1747 CA PRO 114 0.0076 38.5561 35.5100
1761 CA LEU 115 0.0030 33.9113 37.2500
1780 CA ALA 116 0.0063 37.2588 37.4900
1790 CA ARG 117 0.0040 34.9628 34.6400
1814 CA VAL 118 0.0017 32.6682 31.1500
1830 CA ARG 119 0.0029 33.8660 31.0700
1854 CA LEU 120 0.0022 33.0961 29.6900
1873 CA VAL 121 0.0015 32.4701 28.7600
1889 CA GLU 122 0.0020 32.9701 26.5900
1904 CA VAL 123 0.0020 32.9633 27.2700
1920 CA GLY 124 0.0034 34.3820 28.1700
1927 CA GLY 125 0.0054 36.3601 30.7900
1934 CA ASP 126 0.0040 34.9663 33.6200
1946 CA VAL 127 0.0028 33.7173 34.9300
1962 CA GLN 128 0.0065 37.4519 41.6900
1979 CA LEU 129 0.0038 34.7796 40.0900
1998 CA ASP 130 0.0078 38.7537 42.3200
2010 CA SER 131 0.0049 35.8253 34.4000
2021 CA VAL 132 0.0026 33.5487 30.6800
2037 CA ARG 133 0.0045 35.4007 28.5300
2061 CA ILE 134 0.0032 34.1144 29.6900
2080 CA PHE 135 0.0096 40.6100 29.4200

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.