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

* SUGAR BINDING PROTEIN 09-MAY-18 6GHV *

B-factor analysis for ID 2404081712023039829

Overall B-factor prediction

Correlation= 0.823 for 133 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 LEU 252 0.1560 76.8767 66.3600
21 CA CYS 253 0.0837 53.3751 52.4900
31 CA HIS 254 0.0332 36.9338 36.1000
48 CA PRO 255 0.0143 30.8023 28.1500
62 CA CYS 256 0.0075 28.5775 27.5100
72 CA PRO 257 0.0110 29.7036 31.4900
86 CA TRP 258 0.0301 35.9354 34.8700
110 CA GLU 259 0.0171 31.7078 39.3500
125 CA TRP 260 0.0044 27.5657 30.3900
149 CA THR 261 0.0041 27.4640 29.2000
163 CA PHE 262 0.0057 27.9924 27.1900
183 CA PHE 263 0.0048 27.6830 26.8300
203 CA GLN 264 0.0092 29.1248 26.1600
220 CA GLY 265 0.0122 30.1155 29.6600
227 CA ASN 266 0.0044 27.5815 26.5700
241 CA CYS 267 0.0030 27.1025 29.4700
251 CA TYR 268 0.0023 26.8953 27.7500
272 CA PHE 269 0.0027 27.0013 26.7300
292 CA MET 270 0.0026 26.9698 27.7400
309 CA SER 271 0.0034 27.2289 26.5500
320 CA ASN 272 0.0085 28.9035 29.8000
334 CA SER 273 0.0097 29.3064 27.9300
345 CA GLN 274 0.0047 27.6619 26.6400
362 CA ARG 275 0.0033 27.2138 26.0000
386 CA ASN 276 0.0031 27.1408 25.0500
400 CA TRP 277 0.0017 26.6999 22.2900
424 CA HIS 278 0.0037 27.3252 24.5800
441 CA ASP 279 0.0040 27.4456 22.2500
453 CA SER 280 0.0022 26.8602 21.8500
464 CA ILE 281 0.0029 27.0863 23.2400
483 CA THR 282 0.0055 27.9306 24.3400
497 CA ALA 283 0.0040 27.4445 25.2500
507 CA CYS 284 0.0034 27.2401 25.8700
517 CA LYS 285 0.0097 29.3011 31.3100
539 CA GLU 286 0.0137 30.5897 30.0500
554 CA VAL 287 0.0072 28.4660 28.2900
570 CA GLY 288 0.0145 30.8536 27.2000
577 CA ALA 289 0.0045 27.5967 26.6000
587 CA GLN 290 0.0026 26.9704 28.2000
604 CA LEU 291 0.0017 26.6851 22.4600
623 CA VAL 292 0.0015 26.6206 21.5700
639 CA VAL 293 0.0020 26.7989 26.7000
655 CA ILE 294 0.0018 26.7287 26.4600
674 CA LYS 295 0.0035 27.2874 29.5600
696 CA SER 296 0.0051 27.7858 31.6000
707 CA ALA 297 0.0055 27.9121 33.5400
717 CA GLU 298 0.0077 28.6510 35.0100
732 CA GLU 299 0.0028 27.0528 31.3600
747 CA GLN 300 0.0024 26.9251 26.5900
764 CA ASN 301 0.0041 27.4733 25.4700
778 CA PHE 302 0.0033 27.1980 25.5000
798 CA LEU 303 0.0020 26.7821 23.5300
817 CA GLN 304 0.0026 26.9735 24.3700
834 CA LEU 305 0.0058 28.0156 28.1700
853 CA GLN 306 0.0033 27.2196 29.7400
870 CA SER 307 0.0028 27.0528 28.0200
881 CA SER 308 0.0062 28.1454 32.9400
892 CA ARG 309 0.0116 29.9137 37.2600
916 CA SER 310 0.0077 28.6353 33.7700
927 CA ASN 311 0.0140 30.6870 35.9600
941 CA ARG 312 0.0047 27.6621 29.7700
965 CA PHE 313 0.0029 27.0626 23.4900
985 CA THR 314 0.0014 26.6041 23.5900
999 CA TRP 315 0.0013 26.5469 24.8500
1023 CA MET 316 0.0010 26.4756 23.4300
1040 CA GLY 317 0.0015 26.6113 22.9500
1047 CA LEU 318 0.0013 26.5523 24.3700
1066 CA SER 319 0.0018 26.7131 26.2100
1077 CA ASP 320 0.0032 27.1619 27.6000
1089 CA LEU 321 0.0053 27.8749 29.6000
1108 CA ASN 322 0.0124 30.1793 37.4400
1122 CA GLN 323 0.0168 31.6034 34.4500
1139 CA GLU 324 0.0111 29.7390 31.4200
1154 CA GLY 325 0.0081 28.7782 29.7900
1161 CA THR 326 0.0096 29.2533 28.0600
1175 CA TRP 327 0.0025 26.9417 29.8700
1199 CA GLN 328 0.0031 27.1528 29.8800
1216 CA TRP 329 0.0023 26.8976 24.0700
1240 CA VAL 330 0.0030 27.1086 26.7800
1256 CA ASP 331 0.0098 29.3084 29.8200
1268 CA GLY 332 0.0170 31.6494 35.0000
1275 CA SER 333 0.0073 28.5093 31.4800
1286 CA PRO 334 0.0062 28.1400 32.0100
1300 CA LEU 335 0.0029 27.0940 33.0400
1319 CA LEU 336 0.0060 28.0896 33.6300
1338 CA PRO 337 0.0132 30.4147 37.7300
1352 CA SER 338 0.0113 29.7975 36.7200
1363 CA PHE 339 0.0035 27.2584 34.7900
1383 CA LYS 340 0.0043 27.5200 35.9700
1405 CA GLN 341 0.0093 29.1707 30.1100
1422 CA TYR 342 0.0032 27.1662 29.0300
1443 CA TRP 343 0.0028 27.0564 30.4800
1467 CA ASN 344 0.0056 27.9679 32.1600
1481 CA ARG 345 0.0425 39.9504 35.8300
1505 CA GLY 346 0.0392 38.8725 27.2100
1512 CA GLU 347 0.0052 27.8114 30.6300
1527 CA PRO 348 0.0033 27.2132 32.1100
1541 CA ASN 349 0.0106 29.5892 30.6500
1555 CA ASN 350 0.0072 28.4719 27.6900
1569 CA VAL 351 0.0167 31.5780 32.2700
1585 CA GLY 352 0.0301 35.9220 33.5400
1592 CA GLU 353 0.0126 30.2323 34.8700
1607 CA GLU 354 0.0045 27.5939 26.3600
1622 CA ASP 355 0.0026 26.9716 26.7700
1634 CA CYS 356 0.0014 26.6042 26.3900
1644 CA ALA 357 0.0009 26.4425 23.2200
1654 CA GLU 358 0.0012 26.5396 24.6600
1669 CA PHE 359 0.0014 26.5791 22.9400
1689 CA SER 360 0.0030 27.1168 28.2400
1700 CA GLY 361 0.0076 28.5983 30.5900
1707 CA ASN 362 0.0132 30.4264 30.6600
1721 CA GLY 363 0.0032 27.1728 27.5800
1728 CA TRP 364 0.0016 26.6651 26.9800
1752 CA ASN 365 0.0018 26.7339 25.1300
1766 CA ASP 366 0.0020 26.7711 24.6600
1778 CA ASP 367 0.0023 26.8743 23.3100
1790 CA LYS 368 0.0045 27.5931 27.9800
1812 CA CYS 369 0.0026 26.9949 25.7300
1822 CA ASN 370 0.0076 28.5986 30.2300
1836 CA LEU 371 0.0054 27.9016 26.5000
1855 CA ALA 372 0.0051 27.7876 25.4200
1865 CA LYS 373 0.0024 26.9036 23.3400
1887 CA PHE 374 0.0024 26.9103 20.6200
1907 CA TRP 375 0.0017 26.6800 22.9600
1931 CA ILE 376 0.0015 26.6264 25.0100
1950 CA CYS 377 0.0020 26.7819 23.9200
1960 CA LYS 378 0.0023 26.8916 24.7900
1982 CA LYS 379 0.0043 27.5290 29.1000
2004 CA SER 380 0.0111 29.7598 33.2900
2015 CA ALA 381 0.0093 29.1716 29.2200
2025 CA ALA 382 0.0302 35.9615 31.4200
2035 CA SER 383 0.0951 57.0804 44.2800
2046 CA CYS 384 0.0775 51.3396 53.9500

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.