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

* hexokinase bound *

B-factor analysis for ID 22050518240126990

Overall B-factor prediction

Correlation= 0.143 for 299 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 MET 1 0.0927 22.9490 41.1400
10 CA MET 2 0.0516 20.7639 29.4700
18 CA ILE 3 0.0280 19.5071 23.3200
26 CA ILE 4 0.0181 18.9827 16.9500
34 CA VAL 5 0.0122 18.6678 16.9300
41 CA GLY 6 0.0098 18.5414 15.5000
45 CA VAL 7 0.0089 18.4947 15.3000
52 CA ASP 8 0.0104 18.5713 15.2100
60 CA ALA 9 0.0111 18.6110 18.0100
65 CA GLY 10 0.0156 18.8514 21.2800
69 CA GLY 11 0.0185 19.0053 21.1400
73 CA THR 12 0.0269 19.4489 20.4300
80 CA LYS 13 0.0284 19.5324 17.5600
89 CA THR 14 0.0191 19.0370 14.7000
96 CA LYS 15 0.0203 19.0993 17.7200
105 CA ALA 16 0.0168 18.9121 14.5300
110 CA VAL 17 0.0199 19.0767 15.9600
117 CA ALA 18 0.0210 19.1394 16.6000
122 CA TYR 19 0.0273 19.4727 17.8300
134 CA ASP 20 0.0352 19.8941 17.1700
142 CA CYS 21 0.0401 20.1544 16.4400
148 CA GLU 22 0.0567 21.0363 21.2500
157 CA GLY 23 0.0461 20.4718 17.4600
161 CA ASN 24 0.0549 20.9414 18.7200
169 CA PHE 25 0.0499 20.6753 17.9800
180 CA ILE 26 0.0483 20.5883 21.1400
188 CA GLY 27 0.0431 20.3114 18.7100
192 CA GLU 28 0.0379 20.0348 18.2100
201 CA GLY 29 0.0325 19.7500 19.8200
205 CA SER 30 0.0328 19.7666 19.9400
211 CA SER 31 0.0319 19.7142 19.9000
217 CA GLY 32 0.0319 19.7163 19.7000
221 CA PRO 33 0.0220 19.1928 21.7000
228 CA GLY 34 0.0160 18.8692 17.7000
232 CA ASN 35 0.0166 18.9023 16.1200
240 CA TYR 36 0.0197 19.0658 18.3200
252 CA HIS 37 0.0222 19.1997 24.2000
262 CA ASN 38 0.0248 19.3391 25.9300
270 CA VAL 39 0.0349 19.8754 22.9700
277 CA GLY 40 0.0352 19.8931 21.4700
281 CA LEU 41 0.0295 19.5909 18.3800
289 CA THR 42 0.0419 20.2493 20.1200
296 CA ARG 43 0.0389 20.0897 18.0600
307 CA ALA 44 0.0222 19.2017 19.2500
312 CA ILE 45 0.0221 19.1949 19.4900
320 CA GLU 46 0.0315 19.6958 18.7100
329 CA ASN 47 0.0245 19.3232 21.3100
337 CA ILE 48 0.0169 18.9216 18.7500
345 CA LYS 49 0.0233 19.2586 18.9000
354 CA GLU 50 0.0305 19.6413 17.1400
363 CA ALA 51 0.0243 19.3136 18.6400
368 CA VAL 52 0.0194 19.0523 15.9900
375 CA LYS 53 0.0383 20.0555 22.8400
384 CA ILE 54 0.0423 20.2703 21.2700
392 CA ALA 55 0.0311 19.6738 21.6900
397 CA ALA 56 0.0317 19.7055 21.7400
402 CA LYS 57 0.0594 21.1765 32.5900
411 CA GLY 58 0.0624 21.3353 33.3200
415 CA GLU 59 0.0499 20.6756 30.0400
424 CA ALA 60 0.0279 19.5027 21.9200
429 CA ASP 61 0.0305 19.6407 21.7500
437 CA VAL 62 0.0199 19.0797 22.1800
444 CA VAL 63 0.0115 18.6335 17.0100
451 CA GLY 64 0.0092 18.5118 18.5900
455 CA MET 65 0.0070 18.3951 13.7900
463 CA GLY 66 0.0080 18.4452 13.6900
467 CA VAL 67 0.0090 18.4978 14.8400
474 CA ALA 68 0.0119 18.6547 16.9200
479 CA GLY 69 0.0158 18.8595 19.1500
483 CA LEU 70 0.0141 18.7683 15.8300
491 CA ASP 71 0.0204 19.1055 18.6000
499 CA SER 72 0.0350 19.8803 20.5700
505 CA LYS 73 0.0669 21.5771 21.5500
514 CA PHE 74 0.0531 20.8430 23.9100
525 CA ASP 75 0.0247 19.3325 23.0800
533 CA TRP 76 0.0224 19.2122 24.2900
547 CA GLU 77 0.0449 20.4075 30.2200
556 CA ASN 78 0.0363 19.9515 35.5900
564 CA PHE 79 0.0193 19.0459 24.4800
575 CA THR 80 0.0230 19.2449 23.2500
582 CA PRO 81 0.0364 19.9544 30.6800
589 CA LEU 82 0.0293 19.5798 28.9400
597 CA ALA 83 0.0198 19.0750 22.3400
602 CA SER 84 0.0264 19.4227 29.0800
608 CA LEU 85 0.0381 20.0441 35.4400
616 CA ILE 86 0.0260 19.4013 29.8500
624 CA ALA 87 0.0302 19.6242 23.3000
629 CA PRO 88 0.0458 20.4569 24.0900
636 CA LYS 89 0.0288 19.5538 24.2700
645 CA VAL 90 0.0199 19.0786 17.9700
652 CA ILE 91 0.0122 18.6714 16.4400
660 CA ILE 92 0.0108 18.5954 14.2900
668 CA GLN 93 0.0087 18.4814 15.6800
677 CA HIS 94 0.0088 18.4883 18.4400
687 CA ASP 95 0.0082 18.4588 12.2100
695 CA GLY 96 0.0083 18.4600 14.5600
699 CA VAL 97 0.0085 18.4729 16.0900
706 CA ILE 98 0.0075 18.4198 16.0400
714 CA ALA 99 0.0086 18.4787 14.7000
719 CA LEU 100 0.0084 18.4649 15.5900
727 CA PHE 101 0.0118 18.6500 17.5700
738 CA ALA 102 0.0118 18.6485 14.4100
743 CA GLU 103 0.0139 18.7613 14.2900
752 CA THR 104 0.0162 18.8824 17.7700
759 CA LEU 105 0.0217 19.1745 20.8100
767 CA GLY 106 0.0319 19.7172 25.8400
771 CA GLU 107 0.0410 20.2007 22.8100
780 CA PRO 108 0.0246 19.3288 21.4000
787 CA GLY 109 0.0133 18.7303 16.3100
791 CA VAL 110 0.0102 18.5639 15.5300
798 CA VAL 111 0.0077 18.4311 14.3000
805 CA VAL 112 0.0083 18.4615 14.6600
812 CA ILE 113 0.0088 18.4896 12.3000
820 CA ALA 114 0.0109 18.5975 15.6700
825 CA GLY 115 0.0141 18.7679 16.8600
829 CA THR 116 0.0132 18.7242 11.4400
836 CA GLY 117 0.0119 18.6554 13.8900
840 CA SER 118 0.0111 18.6104 11.9300
846 CA VAL 119 0.0094 18.5182 13.7300
853 CA VAL 120 0.0087 18.4848 15.7600
860 CA GLU 121 0.0090 18.4982 15.4400
869 CA GLY 122 0.0108 18.5960 18.9200
873 CA TYR 123 0.0200 19.0813 17.4600
885 CA ASN 124 0.0303 19.6304 30.2100
893 CA GLY 125 0.0756 22.0403 34.4700
897 CA LYS 126 0.0870 22.6448 30.4900
906 CA GLU 127 0.0424 20.2754 27.9900
915 CA PHE 128 0.0254 19.3726 20.9500
926 CA LEU 129 0.0164 18.8931 20.3400
934 CA ARG 130 0.0122 18.6675 19.6900
945 CA VAL 131 0.0123 18.6753 20.1500
952 CA GLY 132 0.0133 18.7266 15.4400
956 CA GLY 133 0.0148 18.8075 14.4500
960 CA ARG 134 0.0193 19.0463 14.3000
971 CA GLY 135 0.0227 19.2253 14.1500
975 CA TRP 136 0.0202 19.0949 15.1200
989 CA LEU 137 0.0667 21.5687 12.7600
997 CA LEU 138 0.0607 21.2461 14.8200
1005 CA SER 139 0.0186 19.0083 13.8400
1011 CA ASP 140 0.0140 18.7649 14.4600
1019 CA ASP 141 0.0112 18.6141 13.3200
1027 CA GLY 142 0.0097 18.5379 13.8200
1031 CA SER 143 0.0113 18.6215 13.8000
1037 CA ALA 144 0.0119 18.6521 12.5400
1042 CA TYR 145 0.0133 18.7254 15.1100
1054 CA TRP 146 0.0108 18.5943 13.9500
1068 CA VAL 147 0.0096 18.5317 12.0700
1075 CA GLY 148 0.0107 18.5897 16.3000
1079 CA ARG 149 0.0136 18.7411 12.2700
1090 CA LYS 150 0.0124 18.6795 13.2900
1099 CA ALA 151 0.0110 18.6062 15.1700
1104 CA LEU 152 0.0138 18.7521 16.7400
1112 CA ARG 153 0.0302 19.6243 13.3800
1123 CA LYS 154 0.0244 19.3199 16.5000
1132 CA VAL 155 0.0239 19.2920 18.0400
1139 CA LEU 156 0.0372 19.9986 14.4200
1147 CA LYS 157 0.0526 20.8179 16.6200
1156 CA MET 158 0.0455 20.4394 19.0500
1164 CA MET 159 0.0575 21.0798 20.2300
1172 CA ASP 160 0.0938 23.0063 20.7600
1180 CA GLY 161 0.1181 24.3001 23.0800
1184 CA LEU 162 0.1260 24.7161 23.3400
1192 CA GLU 163 0.0809 22.3225 29.8500
1201 CA ASN 164 0.0917 22.8946 27.5900
1209 CA LYS 165 0.0486 20.6022 22.9800
1218 CA THR 166 0.0444 20.3831 21.1300
1225 CA ILE 167 0.0385 20.0676 24.4300
1233 CA LEU 168 0.0233 19.2595 19.8600
1241 CA TYR 169 0.0287 19.5451 20.8100
1253 CA ASN 170 0.0392 20.1038 24.8200
1261 CA LYS 171 0.0309 19.6656 21.2300
1270 CA VAL 172 0.0230 19.2439 21.0900
1277 CA LEU 173 0.0372 19.9959 27.6100
1285 CA LYS 174 0.0591 21.1638 28.1100
1294 CA THR 175 0.0409 20.1936 28.5100
1301 CA ILE 176 0.0405 20.1756 23.8500
1309 CA ASN 177 0.0760 22.0595 31.7500
1317 CA VAL 178 0.0553 20.9614 25.8900
1324 CA LYS 179 0.0953 23.0879 33.8100
1333 CA ASP 180 0.0806 22.3038 24.6600
1341 CA LEU 181 0.0689 21.6841 24.7400
1349 CA ASP 182 0.0866 22.6259 24.2700
1357 CA GLU 183 0.0668 21.5743 21.6100
1366 CA LEU 184 0.0430 20.3040 22.4300
1374 CA VAL 185 0.0715 21.8215 24.4100
1381 CA MET 186 0.0810 22.3255 26.5100
1389 CA TRP 187 0.0496 20.6589 25.7500
1403 CA SER 188 0.0469 20.5149 27.8500
1409 CA TYR 189 0.0944 23.0413 41.4600
1421 CA THR 190 0.0915 22.8872 42.4900
1428 CA SER 191 0.0449 20.4093 35.9500
1434 CA SER 192 0.0526 20.8154 38.2800
1440 CA CYS 193 0.0582 21.1135 36.6700
1446 CA GLN 194 0.0436 20.3366 29.9200
1455 CA ILE 195 0.0219 19.1868 21.0300
1463 CA ASP 196 0.0270 19.4570 21.2200
1471 CA LEU 197 0.0285 19.5361 20.4700
1479 CA VAL 198 0.0171 18.9301 16.8000
1486 CA ALA 199 0.0173 18.9398 13.6800
1491 CA SER 200 0.0240 19.2939 19.1500
1497 CA ILE 201 0.0162 18.8826 16.8200
1505 CA ALA 202 0.0164 18.8936 16.2000
1510 CA LYS 203 0.0267 19.4392 21.5300
1519 CA ALA 204 0.0233 19.2607 17.2200
1524 CA VAL 205 0.0167 18.9081 16.6300
1531 CA ASP 206 0.0218 19.1808 15.4900
1539 CA GLU 207 0.0369 19.9815 19.8600
1548 CA ALA 208 0.0295 19.5882 20.5200
1553 CA ALA 209 0.0284 19.5316 16.8300
1558 CA ASN 210 0.0467 20.5006 19.3200
1566 CA GLU 211 0.0643 21.4371 24.0800
1575 CA GLY 212 0.0660 21.5290 21.3300
1579 CA ASP 213 0.0392 20.1025 23.1000
1587 CA THR 214 0.0432 20.3195 24.2100
1594 CA VAL 215 0.0269 19.4488 21.0600
1601 CA ALA 216 0.0186 19.0093 17.0900
1606 CA MET 217 0.0212 19.1494 18.7400
1614 CA ASP 218 0.0229 19.2393 18.6800
1622 CA ILE 219 0.0121 18.6637 14.2500
1630 CA LEU 220 0.0121 18.6614 13.3500
1638 CA LYS 221 0.0151 18.8226 17.4000
1647 CA GLN 222 0.0144 18.7884 14.4800
1656 CA GLY 223 0.0109 18.6003 16.0300
1660 CA ALA 224 0.0108 18.5967 14.8600
1665 CA GLU 225 0.0132 18.7220 15.8500
1674 CA LEU 226 0.0137 18.7516 15.5200
1682 CA LEU 227 0.0104 18.5711 15.7400
1690 CA ALA 228 0.0112 18.6149 15.2700
1695 CA SER 229 0.0147 18.8020 18.7900
1701 CA GLN 230 0.0130 18.7104 16.6700
1710 CA ALA 231 0.0114 18.6252 15.0400
1715 CA VAL 232 0.0151 18.8251 19.0600
1722 CA TYR 233 0.0239 19.2905 21.2900
1734 CA LEU 234 0.0156 18.8500 18.5800
1742 CA ALA 235 0.0172 18.9340 17.6300
1747 CA ARG 236 0.0262 19.4135 20.2500
1758 CA LYS 237 0.0323 19.7371 22.7100
1767 CA ILE 238 0.0254 19.3735 26.5700
1775 CA GLY 239 0.0342 19.8362 25.7200
1779 CA THR 240 0.0259 19.3951 23.1200
1786 CA ASN 241 0.0290 19.5613 24.1100
1794 CA LYS 242 0.0195 19.0570 19.4300
1803 CA VAL 243 0.0111 18.6133 17.3200
1810 CA TYR 244 0.0113 18.6203 15.9200
1822 CA LEU 245 0.0108 18.5974 14.7200
1830 CA LYS 246 0.0128 18.7008 13.4200
1839 CA GLY 247 0.0188 19.0219 14.3100
1843 CA GLY 248 0.0246 19.3291 17.5800
1847 CA MET 249 0.0150 18.8200 13.6600
1855 CA PHE 250 0.0158 18.8619 18.3200
1866 CA ARG 251 0.0303 19.6319 19.0800
1877 CA SER 252 0.0246 19.3289 17.4900
1883 CA ASN 253 0.0300 19.6141 21.5500
1891 CA ILE 254 0.0218 19.1785 17.9300
1899 CA TYR 255 0.0146 18.7985 18.9100
1911 CA HIS 256 0.0155 18.8443 18.2400
1921 CA LYS 257 0.0242 19.3047 18.4800
1930 CA PHE 258 0.0174 18.9449 16.6100
1941 CA PHE 259 0.0134 18.7331 17.3100
1952 CA THR 260 0.0177 18.9595 16.5100
1959 CA LEU 261 0.0250 19.3497 22.5000
1967 CA TYR 262 0.0197 19.0668 19.2000
1979 CA LEU 263 0.0177 18.9595 16.4600
1987 CA GLU 264 0.0287 19.5484 23.2400
1996 CA LYS 265 0.0424 20.2764 26.0800
2005 CA GLU 266 0.0352 19.8893 26.9400
2014 CA GLY 267 0.0361 19.9394 25.3300
2018 CA ILE 268 0.0231 19.2499 23.1600
2026 CA ILE 269 0.0230 19.2435 19.4200
2034 CA SER 270 0.0170 18.9220 23.5700
2040 CA ASP 271 0.0189 19.0272 15.4300
2048 CA LEU 272 0.0191 19.0382 17.5100
2056 CA GLY 273 0.0257 19.3847 17.1000
2060 CA LYS 274 0.0489 20.6194 16.6600
2069 CA ARG 275 0.0192 19.0402 13.0900
2080 CA SER 276 0.0177 18.9598 15.3100
2086 CA PRO 277 0.0109 18.6007 15.4300
2093 CA GLU 278 0.0104 18.5745 14.4800
2102 CA ILE 279 0.0132 18.7231 15.3100
2110 CA GLY 280 0.0110 18.6070 16.2200
2114 CA ALA 281 0.0085 18.4708 18.6300
2119 CA VAL 282 0.0103 18.5677 13.1200
2126 CA ILE 283 0.0139 18.7611 14.8400
2134 CA LEU 284 0.0133 18.7269 17.6900
2142 CA ALA 285 0.0155 18.8458 19.4900
2147 CA TYR 286 0.0214 19.1606 21.5900
2159 CA LYS 287 0.0305 19.6424 24.6900
2168 CA GLU 288 0.0367 19.9695 30.7000
2177 CA VAL 289 0.0432 20.3153 28.1100
2184 CA GLY 290 0.0598 21.1987 26.8800
2188 CA CYS 291 0.0460 20.4653 20.7300
2194 CA ASP 292 0.0598 21.2014 22.6900
2202 CA ILE 293 0.0448 20.4031 20.1700
2210 CA LYS 294 0.0816 22.3587 17.5000
2219 CA LYS 295 0.0666 21.5589 18.1600
2228 CA LEU 296 0.0559 20.9927 14.3200
2236 CA ILE 297 0.1748 27.3101 16.3900
2244 CA SER 298 0.4436 41.6028 17.2400
2250 CA ASP 299 1.7572 111.4292 22.5100

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.