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

* RIBONUCLEASE INHIBITOR 09-MAY-94 1BTA *

B-factor analysis for ID 2402291154411098567

Overall B-factor prediction

Correlation= 0.274 for 89 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 0.0075 0.4749 0.5200
26 CA LYS 2 0.0051 0.3725 0.4400
48 CA ALA 3 0.0018 0.2284 0.3000
58 CA VAL 4 0.0024 0.2548 0.2700
74 CA ILE 5 0.0013 0.2079 0.2300
93 CA ASN 6 0.0031 0.2853 0.3100
107 CA GLY 7 0.0025 0.2609 0.3600
114 CA GLU 8 0.0120 0.6681 0.4300
129 CA GLN 9 0.0112 0.6313 0.3800
146 CA ILE 10 0.0025 0.2605 0.3400
165 CA ARG 11 0.0112 0.6326 0.3700
189 CA SER 12 0.0052 0.3769 0.4500
200 CA ILE 13 0.0025 0.2608 0.4600
219 CA SER 14 0.0055 0.3867 0.4400
230 CA ASP 15 0.0035 0.3003 0.3000
242 CA LEU 16 0.0013 0.2076 0.2300
261 CA HIS 17 0.0015 0.2180 0.2200
278 CA GLN 18 0.0029 0.2764 0.1900
295 CA THR 19 0.0017 0.2265 0.1700
309 CA LEU 20 0.0011 0.1986 0.1800
328 CA LYS 21 0.0021 0.2414 0.1600
350 CA LYS 22 0.0056 0.3919 0.2000
372 CA GLU 23 0.0024 0.2559 0.2600
387 CA LEU 24 0.0014 0.2128 0.2300
406 CA ALA 25 0.0042 0.3318 0.2200
416 CA LEU 26 0.0024 0.2536 0.2400
435 CA PRO 27 0.0089 0.5321 0.4100
449 CA GLU 28 0.0230 1.1383 0.5300
464 CA TYR 29 0.0199 1.0081 0.4400
485 CA TYR 30 0.0038 0.3144 0.2800
506 CA GLY 31 0.0109 0.6218 0.5100
513 CA GLU 32 0.0027 0.2670 0.5400
528 CA ASN 33 0.0059 0.4050 0.5300
542 CA LEU 34 0.0028 0.2702 0.4700
561 CA ASP 35 0.0090 0.5368 0.3600
573 CA ALA 36 0.0036 0.3045 0.2500
583 CA LEU 37 0.0013 0.2077 0.1900
602 CA TRP 38 0.0022 0.2452 0.1600
626 CA ASP 39 0.0044 0.3423 0.1800
638 CA CYS 40 0.0019 0.2350 0.1900
649 CA LEU 41 0.0013 0.2093 0.1800
668 CA THR 42 0.0068 0.4437 0.2800
682 CA GLY 43 0.0235 1.1624 0.3100
689 CA TRP 44 0.0057 0.3956 0.2300
713 CA VAL 45 0.0023 0.2513 0.2600
729 CA GLU 46 0.0078 0.4872 0.2300
744 CA TYR 47 0.0049 0.3617 0.2200
765 CA PRO 48 0.0076 0.4761 0.2500
779 CA LEU 49 0.0020 0.2356 0.1900
798 CA VAL 50 0.0023 0.2501 0.2200
814 CA LEU 51 0.0011 0.1993 0.1800
833 CA GLU 52 0.0024 0.2554 0.2100
848 CA TRP 53 0.0014 0.2121 0.2000
872 CA ARG 54 0.0035 0.3018 0.3500
896 CA GLN 55 0.0040 0.3238 0.4600
913 CA PHE 56 0.0021 0.2422 0.5700
933 CA GLU 57 0.0054 0.3823 0.6500
948 CA GLN 58 0.0052 0.3757 0.6000
965 CA SER 59 0.0016 0.2223 0.5200
976 CA LYS 60 0.0028 0.2717 0.4200
998 CA GLN 61 0.0073 0.4642 0.6200
1015 CA LEU 62 0.0058 0.4008 0.7100
1034 CA THR 63 0.0046 0.3505 0.7000
1048 CA GLU 64 0.0157 0.8249 1.2100
1063 CA ASN 65 0.0083 0.5083 1.6800
1077 CA GLY 66 0.0025 0.2577 1.2000
1084 CA ALA 67 0.0014 0.2108 0.4600
1094 CA GLU 68 0.0029 0.2742 0.3800
1109 CA SER 69 0.0026 0.2624 0.4700
1120 CA VAL 70 0.0011 0.1988 0.2700
1136 CA LEU 71 0.0014 0.2102 0.2300
1155 CA GLN 72 0.0031 0.2829 0.3000
1172 CA VAL 73 0.0015 0.2169 0.2000
1188 CA PHE 74 0.0009 0.1920 0.1400
1208 CA ARG 75 0.0026 0.2617 0.2300
1232 CA GLU 76 0.0040 0.3256 0.2300
1247 CA ALA 77 0.0021 0.2416 0.1700
1257 CA LYS 78 0.0030 0.2791 0.2400
1279 CA ALA 79 0.0130 0.7084 0.3300
1289 CA GLU 80 0.0135 0.7325 0.2900
1304 CA GLY 81 0.0337 1.5997 0.4500
1311 CA CYS 82 0.0047 0.3537 0.3800
1322 CA ASP 83 0.0062 0.4187 0.3700
1334 CA ILE 84 0.0015 0.2163 0.3100
1353 CA THR 85 0.0035 0.3001 0.5000
1367 CA ILE 86 0.0021 0.2422 0.4000
1386 CA ILE 87 0.0039 0.3182 0.4400
1405 CA LEU 88 0.0041 0.3268 0.5200
1424 CA SER 89 0.0113 0.6367 0.6200

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.