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

* HIV protease *

B-factor analysis for ID 2402051700431573247

Overall B-factor prediction

Correlation= 0.077 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 0.3455 31.6691 38.8300
9 CA GLN 2 0.2837 29.1057 34.4600
18 CA ILE 3 0.1412 23.1900 24.4500
26 CA THR 4 0.1871 25.0974 22.9700
33 CA LEU 5 0.1269 22.5990 16.5100
41 CA TRP 6 0.2559 27.9540 15.0800
55 CA GLN 7 0.1816 24.8669 14.8100
64 CA ARG 8 0.0862 20.9092 15.3300
75 CA PRO 9 0.0383 18.9207 17.3300
82 CA LEU 10 0.0360 18.8227 18.1700
90 CA VAL 11 0.0288 18.5237 18.9800
97 CA THR 12 0.0287 18.5193 21.6300
104 CA ILE 13 0.0192 18.1282 21.8300
112 CA LYS 14 0.0237 18.3145 25.5800
121 CA ILE 15 0.0196 18.1425 28.4300
129 CA GLY 16 0.0488 19.3555 38.3900
133 CA GLY 17 0.0928 21.1823 41.6100
137 CA GLN 18 0.0418 19.0659 40.9700
146 CA LEU 19 0.0473 19.2939 34.6500
154 CA LYS 20 0.0279 18.4881 25.7500
163 CA GLU 21 0.0279 18.4883 23.7700
172 CA ALA 22 0.0192 18.1257 9.7200
177 CA LEU 23 0.0229 18.2802 11.5600
185 CA LEU 24 0.0234 18.3009 9.6800
193 CA ASP 25 0.0335 18.7208 8.7700
201 CA THR 26 0.0500 19.4043 9.0600
208 CA GLY 27 0.1038 21.6377 8.5200
212 CA ALA 28 0.0365 18.8443 7.6800
217 CA ASP 29 0.0497 19.3917 12.2500
225 CA ASP 30 0.0197 18.1490 14.7300
233 CA THR 31 0.0125 17.8488 12.4600
240 CA VAL 32 0.0114 17.8030 13.7900
247 CA LEU 33 0.0106 17.7697 16.7900
255 CA GLU 34 0.0188 18.1114 22.0400
264 CA GLU 35 0.0263 18.4231 22.3200
273 CA MET 36 0.0243 18.3378 25.0300
281 CA SER 37 0.0498 19.3971 32.1900
287 CA LEU 38 0.0267 18.4391 28.6300
295 CA PRO 39 0.0781 20.5733 36.7800
302 CA GLY 40 0.1446 23.3311 38.3600
306 CA ARG 41 0.0820 20.7318 38.1000
317 CA TRP 42 0.0329 18.6947 28.9600
331 CA LYS 43 0.0364 18.8411 26.3400
340 CA PRO 44 0.0398 18.9816 22.7700
347 CA LYS 45 0.0317 18.6438 15.9600
356 CA MET 46 0.0559 19.6491 17.1500
364 CA ILE 47 0.0503 19.4176 16.6200
372 CA GLY 48 0.1858 25.0419 19.1900
376 CA GLY 49 0.6293 43.4503 24.0100
380 CA ILE 50 1.3264 72.3858 24.8300
388 CA GLY 51 1.3201 72.1252 23.4500
392 CA GLY 52 0.4218 34.8376 18.4400
396 CA PHE 53 0.1180 22.2277 16.7100
407 CA ILE 54 0.0516 19.4731 15.7300
415 CA LYS 55 0.0334 18.7181 18.1300
424 CA VAL 56 0.0157 17.9804 15.9700
431 CA ARG 57 0.0142 17.9185 19.4200
442 CA GLN 58 0.0145 17.9328 17.8000
451 CA TYR 59 0.0141 17.9168 21.4700
463 CA ASP 60 0.0272 18.4592 24.7100
471 CA GLN 61 0.0383 18.9191 29.1900
480 CA ILE 62 0.0170 18.0364 23.7600
488 CA LEU 63 0.0206 18.1871 24.6800
496 CA ILE 64 0.0140 17.9112 28.2000
504 CA GLU 65 0.0199 18.1565 34.6900
513 CA ILE 66 0.0205 18.1807 35.9900
521 CA CYS 67 0.0472 19.2885 51.3900
527 CA GLY 68 0.0660 20.0703 49.8100
531 CA HIS 69 0.0381 18.9102 41.4200
541 CA LYS 70 0.0287 18.5193 37.9200
550 CA ALA 71 0.0204 18.1778 29.7900
555 CA ILE 72 0.0213 18.2130 21.6000
563 CA GLY 73 0.0186 18.1034 13.6600
567 CA THR 74 0.0155 17.9745 16.8100
574 CA VAL 75 0.0098 17.7353 17.5600
581 CA LEU 76 0.0083 17.6765 13.2300
589 CA VAL 77 0.0090 17.7043 16.2800
596 CA GLY 78 0.0138 17.9012 17.7000
600 CA PRO 79 0.0359 18.8212 20.8500
607 CA THR 80 0.0296 18.5570 19.5800
614 CA PRO 81 0.1042 21.6539 21.2000
621 CA VAL 82 0.0435 19.1351 19.5800
628 CA ASN 83 0.0178 18.0684 14.1900
636 CA ILE 84 0.0173 18.0488 14.2200
644 CA ILE 85 0.0138 17.9021 12.8800
652 CA GLY 86 0.0186 18.1036 8.9600
656 CA ARG 87 0.0283 18.5045 11.2500
667 CA ASN 88 0.0232 18.2944 13.8900
675 CA LEU 89 0.0172 18.0441 12.7100
683 CA LEU 90 0.0227 18.2726 12.0200
691 CA THR 91 0.0400 18.9901 15.1800
698 CA GLN 92 0.0353 18.7933 12.2600
707 CA ILE 93 0.0371 18.8691 14.8800
715 CA GLY 94 0.0907 21.0948 15.8800
719 CA CYS 95 0.0761 20.4897 18.5300
725 CA THR 96 0.1920 25.3014 16.4700
732 CA LEU 97 0.1965 25.4881 17.1900
740 CA ASN 98 0.3186 30.5563 19.1800
748 CA PHE 99 1.1370 64.5227 21.9000

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.