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

* 2QLE *

B-factor analysis for ID 240228055824920786

Overall B-factor prediction

Correlation= 0.476 for 236 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 GLY 1 0.0182 24.6885 54.3700
6 CA GLU 2 0.0157 23.3337 99.9700
14 CA GLU 3 0.0418 37.4042 40.3000
23 CA LEU 4 0.0217 26.5843 42.9100
31 CA PHE 5 0.0138 22.3383 25.6700
42 CA THR 6 0.0288 30.3841 32.3100
49 CA GLY 7 0.0251 28.4260 28.7100
53 CA VAL 8 0.0231 27.3249 23.7700
60 CA VAL 9 0.0125 21.6588 17.8400
67 CA PRO 10 0.0145 22.6925 17.2100
74 CA ILE 11 0.0094 19.9517 16.2400
82 CA LEU 12 0.0101 20.3406 22.8900
90 CA VAL 13 0.0083 19.3499 19.6100
97 CA GLU 14 0.0096 20.0528 20.8600
106 CA LEU 15 0.0101 20.3209 39.6300
114 CA ASP 16 0.0120 21.3852 27.9000
122 CA GLY 17 0.0171 24.0940 21.9600
126 CA ASP 18 0.0160 23.5304 24.9300
134 CA VAL 19 0.0132 22.0312 20.3700
141 CA ASN 20 0.0207 26.0279 35.6200
149 CA GLY 21 0.0367 34.6504 30.2400
153 CA HIS 22 0.0267 29.2788 24.8000
163 CA LYS 23 0.0260 28.9071 35.6500
171 CA PHE 24 0.0166 23.8386 26.8300
182 CA SER 25 0.0123 21.5340 19.6000
183 CA SER 25 0.0123 21.5161 18.8700
191 CA VAL 26 0.0093 19.9080 16.5000
198 CA SER 27 0.0098 20.2032 22.2600
199 CA SER 27 0.0098 20.1989 18.4600
207 CA GLY 28 0.0098 20.1588 15.3200
211 CA GLU 29 0.0110 20.8375 24.5500
220 CA GLY 30 0.0172 24.1725 20.1900
224 CA GLU 31 0.0139 22.3638 20.6600
233 CA GLY 32 0.0099 20.2504 23.8400
237 CA ASP 33 0.0122 21.4447 20.8500
245 CA ALA 34 0.0096 20.0624 24.3300
250 CA THR 35 0.0226 27.0855 22.7700
257 CA TYR 36 0.0181 24.6676 20.0600
269 CA GLY 37 0.0093 19.9158 16.7000
273 CA LYS 38 0.0099 20.2581 17.0700
282 CA LEU 39 0.0089 19.6849 18.4100
290 CA THR 40 0.0106 20.6302 19.2200
291 CA THR 40 0.0106 20.6283 17.7000
301 CA LEU 41 0.0086 19.5380 14.7000
309 CA LYS 42 0.0077 19.0404 19.8400
318 CA PHE 43 0.0067 18.5072 16.9700
329 CA ILE 44 0.0085 19.4539 23.9400
337 CA CYS 45 0.0106 20.6183 19.7900
343 CA THR 46 0.0183 24.7713 25.7400
350 CA THR 47 0.0294 30.7293 22.9600
357 CA GLY 48 0.0333 32.8118 43.8900
361 CA LYS 49 0.0274 29.6455 29.7400
367 CA LEU 50 0.0124 21.5776 22.8200
375 CA PRO 51 0.0112 20.9230 41.1800
382 CA VAL 52 0.0087 19.5956 18.4800
389 CA PRO 53 0.0061 18.1837 22.1800
396 CA TRP 54 0.0055 17.8840 24.1600
410 CA PRO 55 0.0052 17.7129 16.9500
417 CA THR 56 0.0051 17.6723 21.9500
424 CA LEU 57 0.0047 17.4354 21.3400
432 CA VAL 58 0.0051 17.6337 14.6700
439 CA THR 59 0.0057 17.9792 18.2200
446 CA THR 60 0.0054 17.7840 15.2000
453 CA PHE 61 0.0039 16.9824 16.3500
464 CA VAL 62 0.0046 17.4041 20.2800
471 CA GLN 63 0.0042 17.1568 19.8300
480 CA CYS 64 0.0039 17.0038 17.2500
486 CA PHE 65 0.0048 17.4758 21.8900
497 CA SER 66 0.0055 17.8896 17.9100
503 CA ARG 67 0.0087 19.5753 16.8000
514 CA TYR 68 0.0079 19.1544 24.5900
526 CA PRO 69 0.0292 30.6173 22.6500
533 CA ASP 70 0.0502 41.8970 21.0100
541 CA HIS 71 0.0393 36.0475 27.8600
551 CA MET 72 0.0170 24.0291 27.3100
559 CA LYS 73 0.0199 25.6407 22.9800
568 CA ARG 74 0.0189 25.0764 25.9100
579 CA HIS 75 0.0084 19.4310 20.3200
589 CA ASP 76 0.0065 18.4059 16.4400
597 CA PHE 77 0.0051 17.6371 22.0700
608 CA PHE 78 0.0048 17.4992 27.4500
619 CA LYS 79 0.0066 18.4705 20.6900
628 CA SER 80 0.0083 19.3477 23.4800
634 CA ALA 81 0.0087 19.5959 28.4400
639 CA MET 82 0.0093 19.9207 27.5000
647 CA PRO 83 0.0175 24.3083 25.9400
654 CA GLU 84 0.0189 25.0567 20.6500
662 CA GLY 85 0.0083 19.3781 22.3200
666 CA TYR 86 0.0070 18.6916 16.3500
678 CA VAL 87 0.0088 19.6287 16.9700
685 CA GLN 88 0.0074 18.8695 23.4000
694 CA GLU 89 0.0092 19.8390 22.2300
703 CA ARG 90 0.0089 19.7189 21.2000
714 CA THR 91 0.0103 20.4482 19.4600
721 CA ILE 92 0.0080 19.2038 29.8300
729 CA PHE 93 0.0100 20.2624 20.6400
740 CA PHE 94 0.0094 19.9732 22.1600
751 CA LYS 95 0.0277 29.8152 37.6300
757 CA ASP 96 0.0646 49.6793 25.1100
765 CA ASP 97 0.0161 23.5899 22.4400
773 CA GLY 98 0.0139 22.3787 26.7500
777 CA ASN 99 0.0092 19.8355 22.3200
785 CA TYR 100 0.0081 19.2506 22.2800
797 CA LYS 101 0.0098 20.1542 20.8700
806 CA THR 102 0.0106 20.5898 25.2000
813 CA ARG 103 0.0136 22.2438 29.2200
824 CA ALA 104 0.0095 19.9945 23.0200
829 CA GLU 105 0.0093 19.9236 20.4500
838 CA VAL 106 0.0078 19.1279 20.8000
845 CA LYS 107 0.0107 20.6513 21.9300
854 CA PHE 108 0.0115 21.0754 25.4300
865 CA GLU 109 0.0311 31.6577 28.5000
874 CA GLY 110 0.0610 47.7194 25.2100
878 CA ASP 111 0.0520 42.8754 24.8100
886 CA THR 112 0.0183 24.7686 28.3800
893 CA LEU 113 0.0083 19.3592 23.5700
901 CA VAL 114 0.0088 19.6506 18.5600
908 CA ASN 115 0.0079 19.1722 18.1600
916 CA ARG 116 0.0102 20.3892 19.1600
927 CA ILE 117 0.0096 20.0907 20.0300
935 CA GLU 118 0.0140 22.4195 21.2400
944 CA LEU 119 0.0106 20.6215 18.8000
952 CA LYS 120 0.0112 20.9187 31.9200
957 CA GLY 121 0.0132 21.9999 19.8100
961 CA ILE 122 0.0173 24.2035 29.9400
969 CA ASP 123 0.0301 31.0917 21.5200
977 CA PHE 124 0.0166 23.8360 31.4200
988 CA LYS 125 0.0336 32.9874 30.4500
996 CA GLU 126 0.0406 36.7813 70.4200
1001 CA ASP 127 0.0555 44.7520 34.1100
1009 CA GLY 128 0.0320 32.1433 28.0800
1013 CA ASN 129 0.0122 21.4629 21.2000
1021 CA ILE 130 0.0091 19.8053 23.6400
1029 CA LEU 131 0.0142 22.5364 27.7200
1037 CA GLY 132 0.0201 25.7347 24.5700
1041 CA HIS 133 0.0157 23.3733 31.5400
1051 CA LYS 134 0.0197 25.5313 23.7000
1060 CA LEU 135 0.0118 21.2550 20.3700
1068 CA GLU 136 0.0179 24.5273 20.7300
1077 CA TYR 137 0.0118 21.2793 15.5500
1089 CA ASN 138 0.0125 21.6221 22.1000
1097 CA TYR 139 0.0098 20.1731 23.5700
1109 CA ASN 140 0.0112 20.9145 22.5600
1117 CA SER 141 0.0125 21.6134 11.4100
1118 CA SER 141 0.0124 21.5769 21.6000
1126 CA HIS 142 0.0128 21.7742 19.2000
1136 CA ASN 143 0.0111 20.8686 16.1400
1144 CA VAL 144 0.0101 20.3615 14.8100
1151 CA TYR 145 0.0103 20.4681 18.9700
1163 CA ILE 146 0.0090 19.7646 42.3700
1171 CA MET 147 0.0143 22.5988 25.3800
1179 CA ALA 148 0.0163 23.6835 22.5800
1184 CA ASP 149 0.0392 36.0195 36.7200
1192 CA LYS 150 0.0561 45.1020 99.9700
1197 CA GLN 151 0.1419 91.2908 35.1200
1201 CA LYS 152 0.0859 61.1241 61.4800
1205 CA ASN 153 0.0222 26.8330 32.3000
1213 CA GLY 154 0.0134 22.0996 57.2800
1217 CA ILE 155 0.0087 19.5846 22.6100
1225 CA LYS 156 0.0116 21.1255 20.5500
1232 CA VAL 157 0.0088 19.6365 20.5300
1239 CA ASN 158 0.0100 20.2815 25.3000
1247 CA PHE 159 0.0107 20.6873 19.8300
1258 CA LYS 160 0.0105 20.5485 21.5400
1267 CA ILE 161 0.0096 20.0927 18.5700
1275 CA ARG 162 0.0105 20.5361 20.0400
1286 CA HIS 163 0.0084 19.4076 19.6900
1296 CA ASN 164 0.0129 21.8523 29.9000
1304 CA ILE 165 0.0197 25.5086 35.7600
1312 CA GLU 166 0.0365 34.5281 65.3100
1318 CA ASP 167 0.0963 66.7319 50.1300
1326 CA GLY 168 0.0880 62.2774 99.9700
1330 CA SER 169 0.0520 42.9143 38.5600
1336 CA VAL 170 0.0229 27.2438 25.6300
1343 CA GLN 171 0.0111 20.8765 25.1600
1352 CA LEU 172 0.0111 20.8727 21.4900
1360 CA ALA 173 0.0098 20.1743 21.5700
1365 CA ASP 174 0.0102 20.3813 16.6900
1373 CA HIS 175 0.0085 19.4950 17.9500
1383 CA TYR 176 0.0118 21.2789 20.7500
1395 CA GLN 177 0.0088 19.6284 21.4500
1404 CA GLN 178 0.0086 19.5523 20.9700
1413 CA ASN 179 0.0077 19.0417 25.6100
1421 CA THR 180 0.0099 20.2121 20.0800
1422 CA THR 180 0.0099 20.2430 23.7100
1432 CA PRO 181 0.0109 20.7575 20.9200
1439 CA ILE 182 0.0158 23.4239 28.5700
1447 CA GLY 183 0.0665 50.7198 39.1700
1451 CA ASP 184 0.1019 69.7752 35.3800
1459 CA GLY 185 0.1341 87.0665 33.5000
1463 CA PRO 186 0.0892 62.9303 49.3600
1470 CA VAL 187 0.0152 23.0593 22.8400
1477 CA LEU 188 0.0133 22.0373 28.4400
1485 CA LEU 189 0.0116 21.1541 29.2900
1493 CA PRO 190 0.0109 20.7510 26.4100
1500 CA ASP 191 0.0184 24.8195 27.3000
1508 CA ASN 192 0.0191 25.1933 20.9200
1516 CA HIS 193 0.0101 20.3617 20.5400
1526 CA TYR 194 0.0093 19.9010 18.1600
1538 CA LEU 195 0.0079 19.1667 18.4000
1546 CA SER 196 0.0099 20.2261 29.7400
1547 CA SER 196 0.0099 20.2291 27.4600
1548 CA SER 196 0.0099 20.2218 6.4800
1558 CA THR 197 0.0106 20.6303 16.1500
1565 CA GLN 198 0.0128 21.7966 14.8100
1574 CA VAL 199 0.0108 20.7389 25.5200
1581 CA ALA 200 0.0114 21.0539 20.4800
1586 CA LEU 201 0.0101 20.3189 17.1900
1594 CA SER 202 0.0142 22.5480 19.3700
1600 CA LYS 203 0.0281 30.0201 26.4800
1609 CA ASP 204 0.0371 34.8864 25.5100
1617 CA PRO 205 0.1490 95.1089 28.0800
1624 CA ASN 206 0.1245 81.9336 27.2200
1632 CA GLU 207 0.0514 42.5462 24.3700
1641 CA LYS 208 0.0812 58.5956 26.5900
1650 CA ARG 209 0.0252 28.4664 23.8300
1661 CA ASP 210 0.0176 24.3936 19.1300
1669 CA HIS 211 0.0093 19.9220 26.7100
1679 CA MET 212 0.0071 18.7432 17.1200
1687 CA VAL 213 0.0087 19.5894 14.0300
1694 CA LEU 214 0.0079 19.1737 23.2000
1695 CA LEU 214 0.0079 19.1787 22.8600
1707 CA LEU 215 0.0098 20.1654 17.6200
1714 CA GLU 216 0.0089 19.7145 18.7800
1723 CA PHE 217 0.0099 20.2163 18.2100
1734 CA VAL 218 0.0085 19.4528 21.0700
1735 CA VAL 218 0.0084 19.4500 21.0700
1745 CA THR 219 0.0087 19.5863 20.8500
1746 CA THR 219 0.0087 19.5794 27.5200
1756 CA ALA 220 0.0083 19.3584 19.2500
1761 CA ALA 221 0.0133 22.0378 26.9400
1766 CA GLY 222 0.0212 26.3157 23.6300
1770 CA ILE 223 0.0306 31.3973 20.0900
1778 CA THR 224 0.0688 51.9543 28.4600
1785 CA HIS 225 0.0881 62.3081 29.4300
1795 CA GLY 226 0.1110 74.6425 99.9700

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.