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

* EXP_1RY2_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000 *

B-factor analysis for ID 24021912181314425

Overall B-factor prediction

Correlation= -0.735 for 14 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 ASN 1 0.1969 110.9808 74.2500
10 CA PRO 2 0.1271 96.5135 83.7500
17 CA GLY 3 0.1595 103.2323 95.0000
21 CA ILE 4 0.0604 82.7052 94.4400
29 CA VAL 5 0.0616 82.9434 94.5000
36 CA ARG 6 0.0580 82.2053 95.0600
47 CA HIS 7 0.0546 81.4942 94.9400
57 CA LEU 8 0.0592 82.4477 95.0600
65 CA ILE 9 0.0556 81.6988 95.1200
73 CA ASP 10 0.0483 80.1907 95.4400
81 CA SER 11 0.0660 83.8572 94.0000
87 CA VAL 12 0.0774 86.2223 89.6200
94 CA LYS 13 0.0909 89.0167 82.7500
103 CA LEU 14 0.1564 102.5820 62.1600

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.