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

* NMA_xrayil8 *

B-factor analysis for ID 2503020514001059888

Overall B-factor prediction

Correlation= 0.658 for 73 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 0.2210 32.5346 14.5600
11 CA GLU 2 0.0909 18.2519 9.6400
21 CA LEU 3 0.0232 10.8202 12.8600
39 CA ARG 4 0.0203 10.4955 10.8300
60 CA CYS 5 0.0093 9.2907 9.8000
70 CA GLN 6 0.0102 9.3832 10.8000
87 CA CYS 7 0.0130 9.6957 11.1800
97 CA ILE 8 0.0517 13.9405 16.9300
107 CA LYS 9 0.0262 11.1426 12.4500
126 CA THR 10 0.0060 8.9320 9.6300
140 CA TYR 11 0.0055 8.8771 9.4400
161 CA SER 12 0.0098 9.3456 12.2000
172 CA LYS 13 0.0195 10.4114 9.6800
173 CA LYS 13 0.0202 10.4865 10.6700
187 CA PRO 14 0.0087 9.2220 9.3600
201 CA PHE 15 0.0050 8.8217 9.0800
221 CA HIS 16 0.0089 9.2461 10.3100
238 CA PRO 17 0.0035 8.6516 10.0900
252 CA LYS 18 0.0074 9.0800 9.2200
268 CA PHE 19 0.0048 8.7982 8.0900
288 CA ILE 20 0.0023 8.5261 8.1100
307 CA LYS 21 0.0059 8.9118 7.4700
329 CA GLU 22 0.0057 8.8906 7.4100
344 CA LEU 23 0.0039 8.6960 9.1300
363 CA ARG 24 0.0066 8.9928 7.7500
381 CA VAL 25 0.0058 8.9037 7.1700
397 CA ILE 26 0.0061 8.9350 7.4400
416 CA GLU 27 0.0135 9.7524 7.4100
431 CA SER 28 0.0131 9.7035 8.4200
442 CA GLY 29 0.0371 12.3381 8.1100
449 CA PRO 30 0.0598 14.8351 9.3300
463 CA HIS 31 0.0177 10.2155 8.8100
480 CA CYS 32 0.0115 9.5339 8.7700
490 CA ALA 33 0.0290 11.4493 10.2000
500 CA ASN 34 0.0122 9.6064 10.2400
514 CA THR 35 0.0071 9.0516 7.5100
528 CA GLU 36 0.0038 8.6837 7.5100
543 CA ILE 37 0.0031 8.6055 7.8700
562 CA ILE 38 0.0034 8.6461 9.1400
581 CA VAL 39 0.0025 8.5464 9.4100
597 CA LYS 40 0.0040 8.7120 8.2400
613 CA LEU 41 0.0040 8.7102 8.4900
632 CA SER 42 0.0087 9.2202 12.6200
643 CA ASP 43 0.0226 10.7447 13.9000
655 CA GLY 44 0.0131 9.7063 11.7100
662 CA ARG 45 0.0136 9.7650 9.3900
687 CA GLU 46 0.0068 9.0183 9.8600
688 CA GLU 46 0.0072 9.0570 11.2300
705 CA LEU 47 0.0037 8.6759 8.2900
706 CA LEU 47 0.0040 8.7055 10.0200
720 CA CYS 48 0.0033 8.6309 7.9700
730 CA LEU 49 0.0025 8.5400 8.0900
749 CA ASP 50 0.0050 8.8134 9.3500
761 CA PRO 51 0.0055 8.8736 9.7100
775 CA LYS 52 0.0144 9.8462 11.5000
790 CA GLU 53 0.0070 9.0388 10.2600
805 CA ASN 54 0.0126 9.6485 11.0300
819 CA TRP 55 0.0057 8.8914 9.2300
843 CA VAL 56 0.0030 8.5934 8.1300
859 CA GLN 57 0.0059 8.9180 9.3000
876 CA ARG 58 0.0077 9.1165 10.8300
891 CA VAL 59 0.0027 8.5630 9.6900
902 CA VAL 60 0.0025 8.5432 9.3500
918 CA GLU 61 0.0069 9.0303 10.5200
933 CA LYS 62 0.0055 8.8754 9.2400
950 CA PHE 63 0.0029 8.5911 8.1200
970 CA LEU 64 0.0077 9.1130 9.8200
984 CA LYS 65 0.0166 10.0882 11.8800
999 CA ARG 66 0.0122 9.6104 9.5400
1023 CA ALA 67 0.0181 10.2547 9.4000
1033 CA GLU 68 0.0566 14.4805 14.4100
1042 CA ASN 69 0.0871 17.8263 21.4700
1050 CA SER 70 0.1502 24.7576 34.5900

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.