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

* UBIQUITIN 17-APR-92 1AAR *

B-factor analysis for ID 2405231924023010811

Overall B-factor prediction

Correlation= 0.370 for 152 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 0.0433 12.7787 8.1500
10 CA GLN 2 0.0355 12.7273 11.9200
19 CA ILE 3 0.0196 12.6223 12.1400
27 CA PHE 4 0.0213 12.6338 13.1500
38 CA VAL 5 0.0139 12.5851 13.9800
45 CA LYS 6 0.0202 12.6264 14.3000
54 CA THR 7 0.0253 12.6601 16.8800
61 CA LEU 8 0.0254 12.6609 19.9200
69 CA THR 9 0.0810 13.0272 20.1800
76 CA GLY 10 0.1128 13.2373 20.9800
80 CA LYS 11 0.0533 12.8444 18.5400
89 CA THR 12 0.0371 12.7378 15.3400
96 CA ILE 13 0.0256 12.6619 14.0200
104 CA THR 14 0.0304 12.6939 14.2800
111 CA LEU 15 0.0236 12.6486 11.8800
119 CA GLU 16 0.0398 12.7557 12.3400
128 CA VAL 17 0.0284 12.6806 9.7000
135 CA GLU 18 0.0461 12.7974 12.1000
144 CA PRO 19 0.0396 12.7541 9.9600
151 CA SER 20 0.0478 12.8088 10.2700
157 CA ASP 21 0.0265 12.6682 9.7400
165 CA THR 22 0.0239 12.6510 9.4000
172 CA ILE 23 0.0136 12.5832 11.0200
180 CA GLU 24 0.0230 12.6449 12.2600
189 CA ASN 25 0.0213 12.6336 11.9100
197 CA VAL 26 0.0119 12.5716 10.8200
204 CA LYS 27 0.0150 12.5922 10.6900
213 CA ALA 28 0.0241 12.6522 11.5400
218 CA LYS 29 0.0222 12.6397 11.1200
227 CA ILE 30 0.0176 12.6090 7.1800
235 CA GLN 31 0.0287 12.6827 8.5700
244 CA ASP 32 0.0562 12.8639 12.0400
252 CA LYS 33 0.0499 12.8221 11.5200
261 CA GLU 34 0.0484 12.8126 14.7300
270 CA GLY 35 0.0642 12.9167 12.2400
274 CA ILE 36 0.0336 12.7151 11.7000
282 CA PRO 37 0.0418 12.7687 12.4200
289 CA PRO 38 0.0228 12.6433 12.1900
296 CA ASP 39 0.0395 12.7539 13.8000
304 CA GLN 40 0.0236 12.6488 13.8000
313 CA GLN 41 0.0142 12.5868 10.5300
322 CA ARG 42 0.0121 12.5728 8.7200
333 CA LEU 43 0.0092 12.5539 7.9700
341 CA ILE 44 0.0115 12.5688 9.1000
349 CA PHE 45 0.0161 12.5995 9.8600
360 CA ALA 46 0.0311 12.6985 13.4900
365 CA GLY 47 0.0212 12.6333 13.7100
369 CA LYS 48 0.0179 12.6114 10.9400
378 CA GLN 49 0.0146 12.5893 11.6700
387 CA LEU 50 0.0139 12.5848 12.1200
395 CA GLU 51 0.0254 12.6608 14.0100
404 CA ASP 52 0.0264 12.6675 14.7000
412 CA GLY 53 0.0411 12.7643 14.1700
416 CA ARG 54 0.0331 12.7117 12.0800
427 CA THR 55 0.0274 12.6738 10.2400
434 CA LEU 56 0.0206 12.6289 11.9900
442 CA SER 57 0.0389 12.7495 10.3800
448 CA ASP 58 0.0517 12.8338 8.5000
456 CA TYR 59 0.0312 12.6991 11.1300
468 CA ASN 60 0.0518 12.8349 12.4500
476 CA ILE 61 0.0264 12.6676 13.5600
484 CA GLN 62 0.0437 12.7815 13.0100
493 CA LYS 63 0.0537 12.8473 11.6000
502 CA GLU 64 0.0472 12.8042 11.3000
511 CA SER 65 0.0304 12.6935 10.9300
517 CA THR 66 0.0212 12.6332 11.7600
524 CA LEU 67 0.0123 12.5743 11.6700
532 CA HIS 68 0.0128 12.5777 9.4400
542 CA LEU 69 0.0112 12.5669 10.0700
550 CA VAL 70 0.0120 12.5726 11.9100
557 CA LEU 71 0.0154 12.5945 16.8900
565 CA ARG 72 0.0187 12.6167 20.7500
576 CA LEU 73 0.0316 12.7019 24.4200
584 CA ARG 74 0.0929 13.1056 32.2500
595 CA GLY 75 0.0944 13.1155 33.8500
599 CA GLY 76 0.0266 12.6686 31.4200
603 CA MET 1 0.0418 12.7686 10.5600
611 CA GLN 2 0.0351 12.7247 12.2000
620 CA ILE 3 0.0196 12.6227 11.8100
628 CA PHE 4 0.0204 12.6280 10.7300
639 CA VAL 5 0.0142 12.5869 10.4100
646 CA LYS 6 0.0210 12.6320 10.7100
655 CA THR 7 0.0250 12.6583 12.3300
662 CA LEU 8 0.0239 12.6509 16.5400
670 CA THR 9 0.0836 13.0444 17.9900
677 CA GLY 10 0.1378 13.4018 18.3100
681 CA LYS 11 0.0479 12.8092 15.7900
690 CA THR 12 0.0380 12.7435 13.8200
697 CA ILE 13 0.0250 12.6582 12.0000
705 CA THR 14 0.0314 12.7003 12.6900
712 CA LEU 15 0.0236 12.6487 10.5500
720 CA GLU 16 0.0395 12.7536 10.4300
729 CA VAL 17 0.0284 12.6808 9.0700
736 CA GLU 18 0.0436 12.7807 12.7600
745 CA PRO 19 0.0368 12.7357 10.6500
752 CA SER 20 0.0462 12.7978 11.3700
758 CA ASP 21 0.0250 12.6582 9.4300
766 CA THR 22 0.0210 12.6317 9.7800
773 CA ILE 23 0.0129 12.5785 10.7000
781 CA GLU 24 0.0211 12.6324 11.9200
790 CA ASN 25 0.0224 12.6411 11.4200
798 CA VAL 26 0.0127 12.5769 8.9600
805 CA LYS 27 0.0151 12.5927 8.8100
814 CA ALA 28 0.0249 12.6574 9.7900
819 CA LYS 29 0.0235 12.6483 8.8600
828 CA ILE 30 0.0178 12.6105 8.5300
836 CA GLN 31 0.0287 12.6826 9.3700
845 CA ASP 32 0.0560 12.8625 14.3400
853 CA LYS 33 0.0467 12.8010 16.4800
862 CA GLU 34 0.0463 12.7984 17.3700
871 CA GLY 35 0.0617 12.9002 14.9000
875 CA ILE 36 0.0333 12.7129 13.6600
883 CA PRO 37 0.0400 12.7570 13.3500
890 CA PRO 38 0.0228 12.6434 13.1400
897 CA ASP 39 0.0358 12.7291 14.4500
905 CA GLN 40 0.0236 12.6491 13.3100
914 CA GLN 41 0.0146 12.5892 10.4700
923 CA ARG 42 0.0121 12.5731 8.1000
934 CA LEU 43 0.0086 12.5499 8.9500
942 CA ILE 44 0.0105 12.5623 8.9500
950 CA PHE 45 0.0143 12.5878 10.0900
961 CA ALA 46 0.0278 12.6767 13.0200
966 CA GLY 47 0.0195 12.6221 14.4300
970 CA LYS 48 0.0163 12.6010 15.0000
979 CA GLN 49 0.0127 12.5772 11.6300
988 CA LEU 50 0.0123 12.5742 12.0500
996 CA GLU 51 0.0210 12.6319 14.2600
1005 CA ASP 52 0.0226 12.6422 13.3900
1013 CA GLY 53 0.0345 12.7209 12.8200
1017 CA ARG 54 0.0262 12.6658 12.7900
1028 CA THR 55 0.0232 12.6466 10.2800
1035 CA LEU 56 0.0171 12.6062 11.0400
1043 CA SER 57 0.0322 12.7055 12.2200
1049 CA ASP 58 0.0421 12.7706 12.0400
1057 CA TYR 59 0.0251 12.6585 15.3500
1069 CA ASN 60 0.0474 12.8056 14.6600
1077 CA ILE 61 0.0233 12.6470 12.8400
1085 CA GLN 62 0.0438 12.7822 11.5400
1094 CA LYS 63 0.0515 12.8329 10.8400
1103 CA GLU 64 0.0464 12.7995 11.1200
1112 CA SER 65 0.0305 12.6947 9.7300
1118 CA THR 66 0.0203 12.6268 8.2800
1125 CA LEU 67 0.0122 12.5734 10.2200
1133 CA HIS 68 0.0126 12.5763 10.1100
1143 CA LEU 69 0.0112 12.5672 10.2100
1151 CA VAL 70 0.0121 12.5730 11.5600
1158 CA LEU 71 0.0167 12.6033 14.8200
1166 CA ARG 72 0.0204 12.6277 17.5200
1177 CA LEU 73 0.0352 12.7251 22.7800
1185 CA ARG 74 0.1485 13.4724 28.0900
1196 CA GLY 75 0.9375 18.6743 30.9900
1200 CA GLY 76 8.8666 70.9548 32.0600

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.