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

* fullCterm *

B-factor analysis for ID 2404301458003704551

Overall B-factor prediction

Correlation= -0.556 for 68 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 ASP 1 6.9618 118.5994 96.6700
10 CA VAL 2 3.7841 99.6098 97.8000
17 CA GLU 3 1.4280 85.5293 97.4000
26 CA PHE 4 0.8102 81.8377 96.9700
37 CA LYS 5 0.6523 80.8942 95.9100
46 CA CYS 6 0.4616 79.7541 92.9900
52 CA THR 7 0.5372 80.2058 88.8500
59 CA CYS 8 0.3024 78.8031 89.9100
65 CA SER 9 0.2814 78.6775 90.0900
71 CA ARG 10 0.1902 78.1325 90.3600
82 CA GLU 11 0.3684 79.1975 90.5100
91 CA ARG 12 0.3710 79.2129 88.4500
102 CA CYS 13 0.1754 78.0438 88.6400
108 CA ALA 14 0.2215 78.3197 89.3900
113 CA ASP 15 0.4990 79.9775 88.9800
121 CA ALA 16 0.4695 79.8017 87.5500
126 CA LEU 17 0.3243 78.9336 88.9400
134 CA LYS 18 0.5860 80.4977 89.8000
143 CA THR 19 0.9306 82.5570 88.6700
150 CA LEU 20 0.7932 81.7357 88.3900
158 CA PRO 21 1.0197 83.0893 90.6000
165 CA ASP 22 0.7196 81.2961 90.9900
173 CA GLU 23 0.8826 82.2704 92.0700
182 CA GLU 24 0.7607 81.5414 91.4500
191 CA VAL 25 0.3806 79.2700 92.1300
198 CA ASP 26 0.4158 79.4808 92.9900
206 CA SER 27 0.6472 80.8634 92.9100
212 CA ILE 28 0.4508 79.6899 90.6100
220 CA LEU 29 0.2789 78.6623 91.3200
228 CA ALA 30 0.5514 80.2908 92.1000
233 CA GLU 31 0.7769 81.6384 92.0400
242 CA ASP 32 0.5965 80.5602 90.4700
250 CA GLY 33 0.3920 79.3384 90.7400
254 CA GLU 34 0.2074 78.2351 92.3100
263 CA ILE 35 0.1414 77.8406 92.8500
271 CA ASP 36 0.2016 78.2005 92.4700
279 CA MET 37 0.1425 77.8476 90.5700
287 CA HIS 38 0.2869 78.7100 89.9400
297 CA CYS 39 0.2930 78.7469 91.2800
303 CA ASP 40 0.6139 80.6646 88.0500
311 CA TYR 41 0.5557 80.3169 90.0300
323 CA CYS 42 0.4679 79.7919 88.3200
329 CA GLY 43 0.5294 80.1597 85.4800
333 CA ASN 44 0.3386 79.0189 91.0300
341 CA HIS 45 0.2645 78.5767 92.5300
351 CA TYR 46 0.1269 77.7541 93.4700
363 CA LEU 47 0.1412 77.8397 93.4500
371 CA PHE 48 0.0647 77.3822 94.3700
382 CA ASN 49 0.1325 77.7876 92.9900
390 CA ALA 50 0.1616 77.9613 91.2800
395 CA MET 51 0.2714 78.6178 91.3800
403 CA ASP 52 0.1720 78.0237 92.6100
411 CA ILE 53 0.1541 77.9168 92.1600
419 CA ALA 54 0.3249 78.9371 89.8000
424 CA GLU 55 0.4479 79.6725 89.8600
433 CA ILE 56 0.3880 79.3146 88.1700
441 CA ARG 57 0.5582 80.3317 86.9200
452 CA ASN 58 0.7988 81.7696 84.6900
460 CA ASN 59 0.9111 82.4406 75.5000
468 CA ALA 60 1.0046 82.9993 62.5200
473 CA SER 61 1.3005 84.7674 41.5600
479 CA PRO 62 1.3590 85.1170 47.9100
486 CA ALA 63 2.4316 91.5271 41.2700
491 CA ASP 64 1.6625 86.9308 35.2900
499 CA PRO 65 3.3093 96.7719 39.2400
506 CA GLN 66 5.3919 109.2179 35.2100
515 CA VAL 67 11.2194 144.0433 36.1500
522 CA HIS 68 19.8709 195.7443 41.9400

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.