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B-factor analysis for ID EXAMPLE1

Overall B-factor prediction

Correlation= .280 for 99 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 PRO 1 .2666 41.0872 34.8800
9 CA GLN 2 .3173 43.9636 35.1500
18 CA ILE 3 .1196 32.7589 27.0300
26 CA THR 4 .1870 36.5771 25.6300
33 CA LEU 5 .1154 32.5171 22.0600
41 CA TRP 6 .2462 39.9296 18.4600
55 CA GLN 7 .1592 35.0037 27.7900
64 CA ARG 8 .0939 31.2995 20.6900
75 CA PRO 9 .0374 28.1000 18.9100
82 CA LEU 10 .0356 27.9990 25.3600
90 CA VAL 11 .0265 27.4786 28.6000
97 CA THR 12 .0259 27.4487 36.6300
104 CA ILE 13 .0174 26.9671 34.3900
112 CA LYS 14 .0214 27.1901 42.4500
121 CA ILE 15 .0168 26.9288 43.0200
129 CA GLY 16 .0373 28.0921 45.7500
133 CA GLY 17 .1013 31.7224 48.6900
137 CA GLN 18 .0372 28.0862 47.7400
146 CA LEU 19 .0377 28.1126 43.4400
154 CA LYS 20 .0242 27.3486 40.0200
163 CA GLU 21 .0238 27.3278 33.7400
172 CA ALA 22 .0187 27.0393 26.7500
177 CA LEU 23 .0228 27.2716 20.2400
185 CA LEU 24 .0228 27.2703 20.8800
193 CA ASP 25 .0331 27.8562 21.2000
201 CA THR 26 .0490 28.7544 14.9700
208 CA GLY 27 .1016 31.7342 8.7600
212 CA ALA 28 .0369 28.0712 13.4600
217 CA ASP 29 .0488 28.7432 22.5400
225 CA ASP 30 .0222 27.2361 25.4400
233 CA THR 31 .0129 26.7085 19.7800
240 CA VAL 32 .0118 26.6464 15.1000
247 CA LEU 33 .0103 26.5607 32.7800
255 CA GLU 34 .0172 26.9538 36.5000
264 CA GLU 35 .0227 27.2666 33.4400
273 CA MET 36 .0219 27.2179 41.1300
281 CA SER 37 .0398 28.2343 48.0700
287 CA LEU 38 .0239 27.3312 43.4100
295 CA PRO 39 .1053 31.9478 48.5600
302 CA GLY 40 .1084 32.1241 48.6400
306 CA ARG 41 .0852 30.8051 50.8800
317 CA TRP 42 .0323 27.8088 37.6500
331 CA LYS 43 .0378 28.1196 40.6900
340 CA PRO 44 .0410 28.3001 45.3000
347 CA LYS 45 .0303 27.6965 41.0400
356 CA MET 46 .0543 29.0561 36.0400
364 CA ILE 47 .0523 28.9443 30.2200
372 CA GLY 48 .1538 34.6971 39.9900
376 CA GLY 49 .3375 45.1096 47.5700
380 CA ILE 50 .6244 61.3677 54.2400
388 CA GLY 51 1.1272 89.8627 52.4900
392 CA GLY 52 .4236 49.9897 43.7300
396 CA PHE 53 .1193 32.7429 40.9200
407 CA ILE 54 .0595 29.3510 33.4300
415 CA LYS 55 .0413 28.3167 30.6200
424 CA VAL 56 .0163 26.9032 27.7400
431 CA ARG 57 .0142 26.7814 26.8800
442 CA GLN 58 .0143 26.7902 26.0500
451 CA TYR 59 .0139 26.7648 29.1700
463 CA ASP 60 .0290 27.6251 27.7500
471 CA GLN 61 .0397 28.2277 26.6800
480 CA ILE 62 .0157 26.8682 28.3500
488 CA LEU 63 .0209 27.1615 31.0200
496 CA ILE 64 .0136 26.7512 31.9500
504 CA GLU 65 .0186 27.0338 35.7400
513 CA ILE 66 .0186 27.0329 35.2800
521 CA CYS 67 .0402 28.2566 44.4400
527 CA GLY 68 .0552 29.1077 45.4500
531 CA HIS 69 .0341 27.9094 40.2000
541 CA LYS 70 .0286 27.6007 40.4800
550 CA ALA 71 .0198 27.1026 37.0000
555 CA ILE 72 .0219 27.2223 28.6600
563 CA GLY 73 .0181 27.0034 22.0900
567 CA THR 74 .0147 26.8118 23.1100
574 CA VAL 75 .0097 26.5260 27.0300
581 CA LEU 76 .0091 26.4927 24.9300
589 CA VAL 77 .0087 26.4738 18.7600
596 CA GLY 78 .0129 26.7083 22.2400
600 CA PRO 79 .0336 27.8809 25.9700
607 CA THR 80 .0279 27.5591 31.2800
614 CA PRO 81 .1109 32.2615 28.8200
621 CA VAL 82 .0424 28.3830 28.8300
628 CA ASN 83 .0173 26.9603 28.9400
636 CA ILE 84 .0176 26.9736 20.9000
644 CA ILE 85 .0142 26.7825 17.9000
652 CA GLY 86 .0199 27.1091 18.8100
656 CA ARG 87 .0294 27.6429 22.1600
667 CA ASN 88 .0250 27.3948 20.9500
675 CA LEU 89 .0178 26.9891 16.6700
683 CA LEU 90 .0239 27.3324 19.5800
691 CA THR 91 .0411 28.3090 17.4500
698 CA GLN 92 .0362 28.0296 20.9700
707 CA ILE 93 .0351 27.9674 23.5800
715 CA GLY 94 .0921 31.1982 27.5000
719 CA CYS 95 .0782 30.4127 27.4400
725 CA THR 96 .2107 37.9220 24.8200
732 CA LEU 97 .1838 36.3933 24.2400
740 CA ASN 98 .3121 43.6697 28.6500
748 CA PHE 99 1.1499 91.1493 33.2000

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: October 18th, 2018.

Elnemo is running on a new server. Should you encounter any unexpected behaviour, please let us know.

*** ***

B-factor analysis for ID EXAMPLE1

Overall B-factor prediction

B-factors for all residues

Residue-by-residue B-factor prediction for CA atoms

Elnemo is running on a new server.
Should you encounter any unexpected behaviour,
please let us know.

* *