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

* Cll13 *

B-factor analysis for ID 2403151705163353962

Overall B-factor prediction

Correlation= 0.590 for 65 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 0.0083 39.0033 38.2600
26 CA GLU 2 0.0047 34.6116 27.1700
41 CA GLY 3 0.0033 32.8064 30.0900
48 CA TYR 4 0.0028 32.2225 28.2100
69 CA LEU 5 0.0021 31.3914 25.9400
88 CA VAL 6 0.0026 31.9458 36.5300
104 CA ASP 7 0.0052 35.2366 39.4900
116 CA TYR 8 0.0080 38.6764 41.5800
137 CA HIS 9 0.0188 51.8920 45.9800
154 CA THR 10 0.0113 42.7196 45.0400
168 CA GLY 11 0.0039 33.5954 46.2600
175 CA CYS 12 0.0050 34.9511 43.5400
185 CA LYS 13 0.0041 33.8904 34.5400
207 CA TYR 14 0.0038 33.4943 28.0000
228 CA THR 15 0.0105 41.7226 29.0900
242 CA CYS 16 0.0056 35.6330 30.3500
252 CA ALA 17 0.0161 48.5136 38.9800
262 CA LYS 18 0.0137 45.6197 36.1700
284 CA LEU 19 0.0095 40.5078 36.2800
303 CA GLY 20 0.0132 45.0512 37.6700
310 CA ASP 21 0.0124 44.0328 42.9300
322 CA ASN 22 0.0047 34.5980 34.7700
336 CA ASP 23 0.0085 39.2052 43.8200
348 CA TYR 24 0.0052 35.2046 27.9800
369 CA CYS 25 0.0022 31.4442 41.8200
379 CA VAL 26 0.0032 32.7674 33.8800
395 CA ARG 27 0.0062 36.3917 38.3900
419 CA GLU 28 0.0035 33.1498 34.1600
434 CA CYS 29 0.0018 31.0396 36.0000
444 CA ARG 30 0.0035 33.1239 30.9000
468 CA LEU 31 0.0074 37.8255 38.0300
487 CA ARG 32 0.0042 33.9545 40.0400
511 CA TYR 33 0.0027 32.1636 31.5000
532 CA TYR 34 0.0059 35.9953 35.3300
553 CA GLN 35 0.0152 47.5039 31.0500
570 CA SER 36 0.0084 39.1306 37.5500
581 CA ALA 37 0.0027 32.0907 33.6500
591 CA HIS 38 0.0034 33.0147 48.4700
608 CA GLY 39 0.0024 31.7339 31.6300
615 CA TYR 40 0.0031 32.5930 35.1400
636 CA CYS 41 0.0030 32.4407 40.7300
646 CA TYR 42 0.0057 35.7954 40.4600
667 CA ALA 43 0.0128 44.5650 37.2200
677 CA PHE 44 0.0080 38.6292 45.4800
697 CA ALA 45 0.0037 33.3234 36.4100
707 CA CYS 46 0.0019 31.1173 45.5100
717 CA TRP 47 0.0024 31.7150 29.1100
741 CA CYS 48 0.0018 30.9705 31.9300
751 CA THR 49 0.0030 32.4755 40.9000
765 CA HIS 50 0.0054 35.4104 36.3500
782 CA LEU 51 0.0026 32.0387 40.4100
801 CA TYR 52 0.0085 39.1780 37.3900
822 CA GLU 53 0.0156 47.9542 45.7000
837 CA GLN 54 0.0253 59.9022 38.1400
854 CA ALA 55 0.0062 36.3549 36.2000
864 CA VAL 56 0.0063 36.5698 32.4300
880 CA VAL 57 0.0037 33.3623 27.9100
896 CA ARG 58 0.0038 33.4027 41.0600
920 CA PRO 59 0.0067 37.0664 34.4200
934 CA LEU 60 0.0063 36.5177 36.5300
953 CA PRO 61 0.0332 69.5895 54.5200
967 CA ASN 62 0.0361 73.1779 54.6500
981 CA LYS 63 0.0118 43.2966 65.2100
1003 CA ARG 64 0.0239 58.1686 76.5200
1027 CA CYS 65 0.0233 57.3909 59.4600

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.