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

* *

B-factor analysis for ID 22102716150789813

Overall B-factor prediction

Correlation= -0.131 for 140 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
5 CA MET 1 70.1088 53.6257 64.5200
22 CA ASP 2 52.6394 52.9824 65.4400
34 CA VAL 3 62.2808 53.3375 64.1800
50 CA PHE 4 69.0439 53.5865 61.6200
70 CA MET 5 51.6860 52.9473 65.0300
87 CA LYS 6 43.6111 52.6499 63.0600
109 CA GLY 7 55.9789 53.1054 63.5400
116 CA LEU 8 53.9060 53.0291 63.5600
135 CA SER 9 37.7983 52.4359 60.9100
146 CA LYS 10 38.2846 52.4538 60.3400
168 CA ALA 11 47.4788 52.7924 60.8500
178 CA LYS 12 39.9973 52.5169 59.1900
200 CA GLU 13 29.4845 52.1297 61.4700
215 CA GLY 14 35.3052 52.3441 61.0800
222 CA VAL 15 38.9297 52.4775 61.0300
238 CA VAL 16 29.8731 52.1440 64.3800
254 CA ALA 17 25.5971 51.9865 59.2300
264 CA ALA 18 31.2458 52.1946 58.6800
274 CA ALA 19 31.1787 52.1921 59.0500
284 CA GLU 20 24.2365 51.9364 60.5100
299 CA LYS 21 23.3613 51.9042 64.0500
321 CA THR 22 26.5363 52.0211 59.5800
335 CA LYS 23 26.0250 52.0023 58.6600
357 CA GLN 24 22.1646 51.8601 60.8200
374 CA GLY 25 21.7834 51.8461 60.9200
381 CA VAL 26 24.2784 51.9380 61.3700
397 CA ALA 27 25.0145 51.9651 62.4100
407 CA GLU 28 22.1543 51.8598 60.7400
422 CA ALA 29 20.5673 51.8013 60.2300
432 CA ALA 30 24.6277 51.9509 58.4600
442 CA GLY 31 26.7360 52.0285 63.7700
449 CA LYS 32 22.6406 51.8777 66.9200
471 CA THR 33 21.5384 51.8371 65.1200
485 CA LYS 34 29.9980 52.1486 65.6300
507 CA GLU 35 31.2248 52.1938 67.5100
522 CA GLY 36 23.3989 51.9056 70.3600
529 CA VAL 37 27.0226 52.0390 71.6500
545 CA LEU 38 38.4937 52.4615 72.6500
564 CA TYR 39 34.8911 52.3288 73.4800
585 CA VAL 40 26.7487 52.0290 73.8100
601 CA GLY 41 37.7474 52.4340 70.8900
608 CA SER 42 49.7618 52.8764 67.5000
619 CA LYS 43 40.4947 52.5352 65.4700
641 CA THR 44 35.8728 52.3650 65.6600
655 CA LYS 45 55.4198 53.0848 62.8300
677 CA GLU 46 62.0607 53.3294 61.6700
692 CA GLY 47 45.0871 52.7043 62.6700
699 CA VAL 48 48.6262 52.8346 62.7800
715 CA VAL 49 72.7775 53.7240 60.2200
731 CA HIS 50 69.8495 53.6162 57.9200
748 CA GLY 51 50.3312 52.8974 59.8500
755 CA VAL 52 64.6878 53.4261 59.0300
771 CA ALA 53 86.9788 54.2470 60.2000
781 CA THR 54 71.9223 53.6925 59.9200
795 CA VAL 55 58.6991 53.2056 59.1100
811 CA ALA 56 84.7154 54.1637 56.7100
821 CA GLU 57 97.0132 54.6165 58.2600
836 CA LYS 58 72.0085 53.6957 57.1500
858 CA THR 59 69.6106 53.6074 55.7100
872 CA LYS 60 99.5269 54.7091 54.5600
894 CA GLU 61 96.8192 54.6094 57.3900
909 CA GLN 62 67.7930 53.5405 51.7500
926 CA VAL 63 72.4287 53.7112 50.6600
942 CA THR 64 98.1067 54.6568 55.5900
956 CA ASN 65 84.1538 54.1430 54.7100
970 CA VAL 66 57.9180 53.1768 53.6600
986 CA GLY 67 71.5677 53.6795 52.7500
993 CA GLY 68 86.0047 54.2111 55.2000
1000 CA ALA 69 63.1896 53.3709 58.0000
1010 CA VAL 70 48.5867 52.8332 55.4900
1026 CA VAL 71 67.2997 53.5223 55.8700
1042 CA THR 72 69.8521 53.6163 59.7900
1056 CA GLY 73 46.1354 52.7429 57.5300
1063 CA VAL 74 43.4534 52.6441 58.1700
1079 CA THR 75 59.4602 53.2336 59.0400
1093 CA ALA 76 51.1432 52.9273 58.3600
1103 CA VAL 77 32.8799 52.2547 57.1700
1119 CA ALA 78 39.8210 52.5104 56.8900
1129 CA GLN 79 48.1395 52.8167 53.5900
1146 CA LYS 80 35.4479 52.3493 54.6000
1168 CA THR 81 25.2931 51.9754 56.0700
1182 CA VAL 82 33.1876 52.2661 50.9800
1198 CA GLU 83 35.7094 52.3589 52.6900
1213 CA GLY 84 25.0423 51.9661 54.1700
1220 CA ALA 85 19.7221 51.7702 50.6400
1230 CA GLY 86 24.5097 51.9465 50.6400
1237 CA SER 87 27.7429 52.0656 57.2800
1248 CA ILE 88 21.4540 51.8340 52.3800
1267 CA ALA 89 17.8725 51.7021 52.6400
1277 CA ALA 90 23.2986 51.9019 52.1000
1287 CA ALA 91 30.6928 52.1742 52.7100
1297 CA THR 92 27.9570 52.0735 54.2700
1311 CA GLY 93 25.0576 51.9667 51.3500
1318 CA PHE 94 23.5287 51.9104 47.0200
1338 CA VAL 95 19.0587 51.7458 48.0600
1354 CA LYS 96 27.0265 52.0392 50.7500
1376 CA LYS 97 26.0920 52.0048 53.4000
1398 CA ASP 98 41.0527 52.5557 43.2300
1410 CA GLN 99 53.9278 53.0299 45.0100
1427 CA LEU 100 60.6959 53.2791 39.2200
1446 CA GLY 101 64.1698 53.4070 38.0100
1453 CA LYS 102 58.0806 53.1828 36.7000
1475 CA ASN 103 46.6970 52.7636 39.5800
1489 CA GLU 104 36.4178 52.3850 41.0700
1504 CA GLU 105 28.3381 52.0875 38.9700
1519 CA GLY 106 25.0461 51.9663 33.7400
1526 CA ALA 107 24.9737 51.9636 40.9400
1535 CA PRO 108 31.7947 52.2148 44.2400
1550 CA GLN 109 38.4375 52.4594 36.7700
1567 CA GLU 110 50.5436 52.9052 39.4000
1582 CA GLY 111 64.8195 53.4310 36.8300
1589 CA ILE 112 73.4479 53.7487 38.8800
1608 CA LEU 113 74.5054 53.7877 45.2000
1627 CA GLU 114 78.8792 53.9487 39.8500
1642 CA ASP 115 77.9492 53.9145 45.3400
1654 CA MET 116 71.9552 53.6937 51.1400
1670 CA PRO 117 66.5152 53.4934 43.4800
1685 CA VAL 118 81.8007 54.0563 52.9800
1701 CA ASP 119 94.7942 54.5348 54.6100
1712 CA PRO 120 116.2114 55.3235 54.3000
1727 CA ASP 121 140.0880 56.2028 44.6100
1739 CA ASN 122 148.7372 56.5213 52.6400
1753 CA GLU 123 187.4874 57.9484 46.1600
1768 CA ALA 124 209.3493 58.7535 52.7600
1778 CA TYR 125 247.3659 60.1535 49.4600
1799 CA GLU 126 277.7543 61.2726 55.5100
1814 CA MET 127 318.1753 62.7611 55.5200
1830 CA PRO 128 366.4045 64.5372 48.8700
1845 CA SER 129 421.3947 66.5623 49.5900
1856 CA GLU 130 466.0879 68.2082 51.2700
1871 CA GLU 131 530.6565 70.5860 54.4700
1886 CA GLY 132 582.5957 72.4987 49.4300
1893 CA TYR 133 607.7768 73.4261 53.1200
1914 CA GLN 134 700.9351 76.8567 49.8300
1931 CA ASP 135 806.0700 80.7285 53.9200
1943 CA TYR 136 867.7576 83.0002 56.6500
1964 CA GLU 137 957.9150 86.3203 62.0800
1978 CA PRO 138 1071.3493 90.4977 55.4200
1993 CA GLU 139 1190.5712 94.8882 48.1800
2008 CA ALA 140 1272.6873 97.9122 48.3900

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.

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

*** ***

B-factor analysis for ID 22102716150789813

Overall B-factor prediction

B-factors for all residues

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

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

* *