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

* UBIQUITIN *

B-factor analysis for ID 2405231012312834919

Overall B-factor prediction

Correlation= 0.794 for 76 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 MET 1 0.0256 12.1240 8.1500
10 CA GLN 2 0.0215 11.9413 11.9200
19 CA ILE 3 0.0102 11.4353 12.1400
27 CA PHE 4 0.0129 11.5589 13.1500
38 CA VAL 5 0.0099 11.4227 13.9800
45 CA LYS 6 0.0150 11.6502 14.3000
54 CA THR 7 0.0274 12.2062 16.8800
61 CA LEU 8 0.0648 13.8764 19.9200
69 CA THR 9 0.1504 17.7023 20.1800
76 CA GLY 10 0.1666 18.4270 20.9800
80 CA LYS 11 0.0508 13.2513 18.5400
89 CA THR 12 0.0287 12.2630 15.3400
96 CA ILE 13 0.0170 11.7422 14.0200
104 CA THR 14 0.0213 11.9318 14.2800
111 CA LEU 15 0.0150 11.6514 11.8800
119 CA GLU 16 0.0287 12.2631 12.3400
128 CA VAL 17 0.0203 11.8870 9.7000
135 CA GLU 18 0.0347 12.5302 12.1000
144 CA PRO 19 0.0259 12.1358 9.9600
151 CA SER 20 0.0322 12.4176 10.2700
157 CA ASP 21 0.0173 11.7538 9.7400
165 CA THR 22 0.0167 11.7281 9.4000
172 CA ILE 23 0.0109 11.4685 11.0200
180 CA GLU 24 0.0192 11.8381 12.2600
189 CA ASN 25 0.0165 11.7196 11.9100
197 CA VAL 26 0.0094 11.3986 10.8200
204 CA LYS 27 0.0131 11.5675 10.6900
213 CA ALA 28 0.0181 11.7896 11.5400
218 CA LYS 29 0.0153 11.6643 11.1200
227 CA ILE 30 0.0117 11.5045 7.1800
235 CA GLN 31 0.0188 11.8191 8.5700
244 CA ASP 32 0.0449 12.9873 12.0400
252 CA LYS 33 0.0368 12.6251 11.5200
261 CA GLU 34 0.0354 12.5605 14.7300
270 CA GLY 35 0.0589 13.6113 12.2400
274 CA ILE 36 0.0250 12.0995 11.7000
282 CA PRO 37 0.0371 12.6396 12.4200
289 CA PRO 38 0.0198 11.8651 12.1900
296 CA ASP 39 0.0381 12.6848 13.8000
304 CA GLN 40 0.0230 12.0067 13.8000
313 CA GLN 41 0.0138 11.5966 10.5300
322 CA ARG 42 0.0178 11.7763 8.7200
333 CA LEU 43 0.0100 11.4282 7.9700
341 CA ILE 44 0.0154 11.6693 9.1000
349 CA PHE 45 0.0158 11.6873 9.8600
360 CA ALA 46 0.1076 15.7886 13.4900
365 CA GLY 47 0.1643 18.3239 13.7100
369 CA LYS 48 0.0601 13.6686 10.9400
378 CA GLN 49 0.0282 12.2403 11.6700
387 CA LEU 50 0.0147 11.6384 12.1200
395 CA GLU 51 0.0291 12.2792 14.0100
404 CA ASP 52 0.0254 12.1159 14.7000
412 CA GLY 53 0.0398 12.7572 14.1700
416 CA ARG 54 0.0224 11.9816 12.0800
427 CA THR 55 0.0162 11.7051 10.2400
434 CA LEU 56 0.0108 11.4633 11.9900
442 CA SER 57 0.0223 11.9769 10.3800
448 CA ASP 58 0.0346 12.5255 8.5000
456 CA TYR 59 0.0181 11.7894 11.1300
468 CA ASN 60 0.0421 12.8598 12.4500
476 CA ILE 61 0.0142 11.6156 13.5600
484 CA GLN 62 0.0301 12.3246 13.0100
493 CA LYS 63 0.0411 12.8174 11.6000
502 CA GLU 64 0.0283 12.2449 11.3000
511 CA SER 65 0.0181 11.7893 10.9300
517 CA THR 66 0.0147 11.6355 11.7600
524 CA LEU 67 0.0095 11.4059 11.6700
532 CA HIS 68 0.0138 11.5970 9.4400
542 CA LEU 69 0.0125 11.5399 10.0700
550 CA VAL 70 0.0260 12.1407 11.9100
557 CA LEU 71 0.0313 12.3811 16.8900
565 CA ARG 72 0.0439 12.9418 20.7500
576 CA LEU 73 0.0858 14.8163 24.4200
584 CA ARG 74 0.2469 22.0146 32.2500
595 CA GLY 75 0.7532 44.6437 33.8500
599 CA GLY 76 0.6131 38.3813 31.4200

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.