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

* 1exr *

B-factor analysis for ID 240124131923244126

Overall B-factor prediction

Correlation= 0.284 for 183 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 GLU 2 1.5042 56.7141 54.5100
11 CA GLN 3 0.5075 22.2832 43.9800
20 CA LEU 4 0.2661 13.9447 29.5100
28 CA THR 5 0.3237 15.9331 23.3800
35 CA GLU 6 0.3095 15.4439 23.4100
44 CA GLU 7 0.2752 14.2573 18.7400
53 CA GLN 8 0.1667 10.5091 15.7900
63 CA ILE 9 0.1235 9.0191 16.1600
64 CA ILE 9 0.1293 9.2174 14.9700
78 CA ALA 10 0.1692 10.5964 15.8600
84 CA GLU 11 0.1393 9.5620 14.6600
85 CA GLU 11 0.1409 9.6177 15.8000
102 CA PHE 12 0.0612 6.8662 12.8600
103 CA PHE 12 0.0618 6.8878 13.2800
124 CA LYS 13 0.0919 7.9253 10.5100
125 CA LYS 13 0.0888 7.8176 10.5400
141 CA GLU 14 0.1515 9.9848 11.8600
150 CA ALA 15 0.0925 7.9468 11.8900
155 CA PHE 16 0.0602 6.8312 8.4500
166 CA ALA 17 0.1499 9.9279 9.1800
171 CA LEU 18 0.1928 11.4110 11.4200
179 CA PHE 19 0.1359 9.4456 8.6800
190 CA ASP 20 0.1723 10.7039 7.4300
198 CA LYS 21 0.3206 15.8247 12.0200
207 CA ASP 22 0.4631 20.7506 9.9500
215 CA GLY 23 0.3907 18.2494 9.5000
219 CA ASP 24 0.3847 18.0401 8.3300
227 CA GLY 25 0.2162 12.2211 7.5000
231 CA THR 26 0.1512 9.9756 7.2300
238 CA ILE 27 0.1101 8.5535 7.7800
246 CA THR 28 0.1861 11.1793 9.0300
253 CA THR 29 0.2263 12.5693 11.8100
260 CA LYS 30 0.3328 16.2468 14.0500
269 CA GLU 31 0.2426 13.1335 9.8700
278 CA LEU 32 0.1865 11.1924 9.7600
286 CA GLY 33 0.3304 16.1649 9.5800
290 CA THR 34 0.3971 18.4693 9.3200
297 CA VAL 35 0.3171 15.7056 9.5900
305 CA MET 36 0.3984 18.5137 9.6700
306 CA MET 36 0.3890 18.1907 8.4300
320 CA ARG 37 0.5785 24.7364 8.7200
331 CA SER 38 0.6341 26.6558 12.3200
338 CA LEU 39 0.6593 27.5277 15.7200
339 CA LEU 39 0.6764 28.1163 16.0800
353 CA GLY 40 0.8885 35.4455 12.2100
357 CA GLN 41 0.7129 29.3794 10.2400
366 CA ASN 42 0.7006 28.9534 7.4200
375 CA PRO 43 0.5659 24.3014 8.3700
376 CA PRO 43 0.5753 24.6248 9.7700
388 CA THR 44 0.6325 26.6007 9.9500
395 CA GLU 45 0.5011 22.0614 10.9100
404 CA ALA 46 0.5359 23.2641 11.6300
409 CA GLU 47 0.4574 20.5519 9.3400
418 CA LEU 48 0.2970 15.0114 8.8800
426 CA GLN 49 0.2925 14.8556 9.6200
435 CA ASP 50 0.3315 16.2019 10.3700
443 CA MET 51 0.2179 12.2790 10.9300
452 CA ILE 52 0.1428 9.6839 9.6300
453 CA ILE 52 0.1456 9.7819 9.3400
467 CA ASN 53 0.2185 12.2982 10.1900
475 CA GLU 54 0.2184 12.2950 17.1000
485 CA VAL 55 0.1090 8.5173 15.6000
486 CA VAL 55 0.1133 8.6666 15.7600
498 CA ASP 56 0.1372 9.4900 15.4600
506 CA ALA 57 0.2306 12.7158 13.5900
511 CA ASP 58 0.3428 16.5938 12.1700
519 CA GLY 59 0.3467 16.7289 16.0700
523 CA ASN 60 0.3493 16.8177 15.6300
531 CA GLY 61 0.2498 13.3792 11.8200
535 CA THR 62 0.1519 9.9984 8.4300
542 CA ILE 63 0.0725 7.2559 7.2100
550 CA ASP 64 0.0845 7.6696 7.7300
558 CA PHE 65 0.0570 6.7213 9.0500
569 CA PRO 66 0.0813 7.5607 11.6200
576 CA GLU 67 0.0623 6.9025 9.0600
586 CA PHE 68 0.0227 5.5365 9.6200
587 CA PHE 68 0.0229 5.5414 10.2700
607 CA LEU 69 0.0386 6.0837 13.9400
616 CA SER 70 0.0803 7.5252 14.5100
617 CA SER 70 0.0780 7.4459 15.8800
628 CA LEU 71 0.0756 7.3643 12.6400
629 CA LEU 71 0.0668 7.0596 16.1600
644 CA MET 72 0.0639 6.9603 14.5700
645 CA MET 72 0.0641 6.9653 13.8300
660 CA ALA 73 0.1000 8.2065 17.6800
661 CA ALA 73 0.1134 8.6693 16.5500
670 CA ARG 74 0.1478 9.8563 16.5900
671 CA ARG 74 0.1544 10.0834 17.1500
691 CA LYS 75 0.1434 9.7039 22.0300
701 CA MET 76 0.1624 10.3599 22.3500
702 CA MET 76 0.1581 10.2143 22.9500
716 CA LYS 77 0.2006 11.6798 25.5000
726 CA GLU 78 0.2164 12.2284 19.9300
727 CA GLU 78 0.2203 12.3600 20.3800
743 CA GLN 79 0.2181 12.2838 18.6700
753 CA ASP 80 0.2326 12.7868 19.2600
754 CA ASP 80 0.2322 12.7737 19.6400
769 CA SER 81 0.2111 12.0445 21.0400
770 CA SER 81 0.2113 12.0507 20.4700
781 CA GLU 82 0.2094 11.9845 18.4400
782 CA GLU 82 0.2110 12.0411 16.8900
798 CA GLU 83 0.2316 12.7518 17.6900
807 CA GLU 84 0.1780 10.8986 21.9400
817 CA LEU 85 0.1249 9.0653 14.3000
818 CA LEU 85 0.1278 9.1674 13.8800
832 CA ILE 86 0.1766 10.8523 13.4600
841 CA GLU 87 0.1893 11.2920 16.1800
842 CA GLU 87 0.1882 11.2543 16.4100
858 CA ALA 88 0.0998 8.1976 16.7700
863 CA PHE 89 0.0914 7.9093 12.7700
875 CA LYS 90 0.1908 11.3425 11.0500
876 CA LYS 90 0.1787 10.9240 12.5500
893 CA VAL 91 0.1702 10.6320 12.3000
894 CA VAL 91 0.1524 10.0147 12.1300
907 CA PHE 92 0.0839 7.6498 11.4500
908 CA PHE 92 0.0832 7.6261 10.6000
928 CA ASP 93 0.1587 10.2346 12.4300
936 CA ARG 94 0.2625 13.8189 15.0500
947 CA ASP 95 0.4489 20.2586 17.8100
955 CA GLY 96 0.4397 19.9396 21.7400
959 CA ASN 97 0.5006 22.0432 21.8600
967 CA GLY 98 0.3415 16.5483 18.4700
971 CA LEU 99 0.2346 12.8543 13.2800
980 CA ILE 100 0.1122 8.6264 9.8100
981 CA ILE 100 0.1122 8.6263 9.3200
995 CA SER 101 0.1452 9.7671 10.2700
1001 CA ALA 102 0.1263 9.1126 10.6900
1006 CA ALA 103 0.1801 10.9729 11.6400
1011 CA GLU 104 0.1331 9.3492 9.3800
1020 CA LEU 105 0.0672 7.0713 9.4100
1028 CA ARG 106 0.1405 9.6036 9.6500
1040 CA HIS 107 0.2060 11.8677 10.8200
1041 CA HIS 107 0.2103 12.0161 10.9200
1059 CA VAL 108 0.1561 10.1449 11.5300
1066 CA MET 109 0.1751 10.8015 10.5200
1074 CA THR 110 0.3238 15.9367 11.8000
1082 CA ASN 111 0.3867 18.1081 10.9100
1083 CA ASN 111 0.3648 17.3525 11.9300
1097 CA LEU 112 0.3470 16.7379 12.3200
1105 CA GLY 113 0.5331 23.1665 11.9600
1109 CA GLU 114 0.4225 19.3450 10.9000
1119 CA LYS 115 0.4538 20.4290 10.4100
1120 CA LYS 115 0.4470 20.1923 8.4700
1137 CA LEU 116 0.3494 16.8221 8.3500
1138 CA LEU 116 0.3359 16.3536 8.3500
1152 CA THR 117 0.3915 18.2738 8.5300
1159 CA ASP 118 0.3088 15.4192 8.6800
1168 CA ASP 119 0.4040 18.7070 8.5300
1169 CA ASP 119 0.3963 18.4419 10.1100
1183 CA GLU 120 0.3348 16.3151 9.3700
1192 CA VAL 121 0.1763 10.8423 9.3900
1199 CA ASP 122 0.2328 12.7945 9.6500
1207 CA GLU 123 0.3157 15.6579 10.7500
1216 CA MET 124 0.1903 11.3259 10.6000
1225 CA ILE 125 0.1566 10.1607 11.1600
1226 CA ILE 125 0.1562 10.1465 11.3300
1240 CA ARG 126 0.3112 15.5025 11.3000
1251 CA GLU 127 0.3357 16.3468 13.2400
1260 CA ALA 128 0.2270 12.5916 13.3800
1265 CA ASP 129 0.2947 14.9331 11.0100
1273 CA ILE 130 0.4827 21.4272 12.4500
1281 CA ASP 131 0.6035 25.6000 14.0600
1289 CA GLY 132 0.5755 24.6306 14.9500
1293 CA ASP 133 0.4771 21.2308 14.2100
1301 CA GLY 134 0.2989 15.0754 12.6900
1305 CA HIS 135 0.1998 11.6528 10.7400
1316 CA ILE 136 0.1389 9.5511 9.6100
1317 CA ILE 136 0.1378 9.5122 9.6400
1331 CA ASN 137 0.2149 12.1746 10.6500
1340 CA TYR 138 0.1903 11.3251 11.5700
1341 CA TYR 138 0.1965 11.5397 11.4700
1363 CA GLU 139 0.2838 14.5534 12.6200
1372 CA GLU 140 0.2178 12.2745 10.8800
1382 CA PHE 141 0.1057 8.4014 10.5700
1383 CA PHE 141 0.1060 8.4116 10.5700
1403 CA VAL 142 0.1602 10.2848 13.0200
1411 CA ARG 143 0.2719 14.1448 16.9200
1412 CA ARG 143 0.2703 14.0877 15.3700
1433 CA MET 144 0.2061 11.8697 17.9100
1434 CA MET 144 0.2101 12.0104 16.9600
1448 CA MET 145 0.1588 10.2375 23.3000
1456 CA VAL 146 0.3091 15.4305 30.3600
1463 CA SER 147 0.4469 20.1878 49.8300

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.