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

* SUGAR BINDING PROTEIN 10-SEP-10 2XR5 *

B-factor analysis for ID 240511163828700048

Overall B-factor prediction

Correlation= 0.518 for 156 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 HIS 254 0.1117 23.0893 22.2000
12 CA PRO 255 0.1282 25.6845 18.2000
19 CA CYS 256 0.0281 9.9450 15.1600
25 CA PRO 257 0.0451 12.6217 19.8800
32 CA TRP 258 0.0849 18.8749 19.0000
33 CA TRP 258 0.0849 18.8736 18.1800
58 CA GLU 259 0.0323 10.6003 20.3500
59 CA GLU 259 0.0333 10.7700 20.4200
75 CA TRP 260 0.0116 7.3543 8.8300
89 CA THR 261 0.0111 7.2779 6.8800
96 CA PHE 262 0.0182 8.3887 5.7400
107 CA PHE 263 0.0159 8.0205 5.4200
118 CA GLN 264 0.0358 11.1558 5.6200
127 CA GLY 265 0.0391 11.6804 6.0100
131 CA ASN 266 0.0149 7.8678 5.2900
139 CA CYS 267 0.0097 7.0564 4.7500
140 CA CYS 267 0.0098 7.0603 6.5600
148 CA TYR 268 0.0063 6.5114 5.4200
160 CA PHE 269 0.0068 6.5888 6.4400
171 CA MET 270 0.0073 6.6684 7.8600
172 CA MET 270 0.0073 6.6686 8.3900
184 CA SER 271 0.0095 7.0227 6.6000
190 CA ASN 272 0.0189 8.4911 12.6700
191 CA ASN 272 0.0198 8.6338 11.9800
203 CA SER 273 0.0234 9.2112 9.8300
209 CA GLN 274 0.0146 7.8285 5.5300
218 CA ARG 275 0.0108 7.2196 5.4300
229 CA ASN 276 0.0100 7.0964 5.2100
237 CA TRP 277 0.0065 6.5506 4.7300
251 CA HIS 278 0.0135 7.6431 5.7500
261 CA ASP 279 0.0156 7.9827 4.8000
269 CA SER 280 0.0077 6.7374 5.0300
275 CA ILE 281 0.0118 7.3784 4.9700
283 CA THR 282 0.0233 9.1889 6.5600
290 CA ALA 283 0.0163 8.0953 6.4700
295 CA CYS 284 0.0115 7.3291 6.8200
301 CA LYS 285 0.0275 9.8478 9.9100
310 CA GLU 286 0.0609 15.1081 13.0600
311 CA GLU 286 0.0618 15.2393 13.1200
325 CA VAL 287 0.0321 10.5793 14.2100
332 CA GLY 288 0.0740 17.1601 11.4600
336 CA ALA 289 0.0146 7.8211 7.8200
341 CA GLN 290 0.0096 7.0422 6.0000
350 CA LEU 291 0.0055 6.3869 4.1700
358 CA VAL 292 0.0050 6.3200 5.0200
365 CA VAL 293 0.0080 6.7894 5.9000
372 CA ILE 294 0.0072 6.6658 5.6300
373 CA ILE 294 0.0072 6.6650 5.8600
385 CA LYS 295 0.0143 7.7752 6.8100
394 CA SER 296 0.0166 8.1328 5.4900
400 CA ALA 297 0.0165 8.1231 6.1700
405 CA GLU 298 0.0233 9.1937 6.2500
406 CA GLU 298 0.0227 9.0965 7.5800
420 CA GLU 299 0.0100 7.0916 5.5500
429 CA GLN 300 0.0081 6.7953 6.3800
438 CA ASN 301 0.0143 7.7784 6.5100
446 CA PHE 302 0.0114 7.3223 5.4800
457 CA LEU 303 0.0070 6.6209 6.1400
465 CA GLN 304 0.0089 6.9217 6.9900
474 CA LEU 305 0.0172 8.2239 9.2300
482 CA GLN 306 0.0118 7.3806 11.3400
491 CA SER 307 0.0091 6.9541 15.6400
492 CA SER 307 0.0091 6.9549 16.1300
500 CA SER 308 0.0163 8.0970 14.1600
501 CA SER 308 0.0163 8.0950 14.8500
509 CA ARG 309 0.0345 10.9457 16.4500
520 CA SER 310 0.0226 9.0878 19.6700
521 CA SER 310 0.0226 9.0842 20.4100
529 CA ASN 311 0.0255 9.5423 20.5400
530 CA ASN 311 0.0255 9.5313 20.7500
542 CA ARG 312 0.0125 7.4985 17.3700
543 CA ARG 312 0.0127 7.5187 17.6500
561 CA PHE 313 0.0084 6.8415 9.5500
572 CA THR 314 0.0049 6.2983 5.4700
579 CA TRP 315 0.0045 6.2355 4.1300
593 CA MET 316 0.0039 6.1442 3.7300
601 CA GLY 317 0.0056 6.4029 5.1400
605 CA LEU 318 0.0049 6.2912 3.9300
613 CA SER 319 0.0073 6.6666 5.7100
614 CA SER 319 0.0073 6.6684 6.4600
622 CA ASP 320 0.0100 7.1033 6.1700
630 CA LEU 321 0.0158 8.0103 8.4300
638 CA ASN 322 0.0406 11.9135 10.4300
639 CA ASN 322 0.0406 11.9145 10.5300
651 CA GLN 323 0.0433 12.3426 12.4000
660 CA GLU 324 0.0305 10.3243 11.0300
669 CA GLY 325 0.0330 10.7198 11.7900
673 CA THR 326 0.0274 9.8373 13.4200
680 CA TRP 327 0.0079 6.7722 7.5200
694 CA GLN 328 0.0114 7.3180 7.4200
695 CA GLN 328 0.0115 7.3351 6.3500
709 CA TRP 329 0.0084 6.8435 5.6500
723 CA VAL 330 0.0118 7.3786 7.7600
730 CA ASP 331 0.0315 10.4730 8.4800
738 CA GLY 332 0.0352 11.0655 10.8200
742 CA SER 333 0.0240 9.2980 10.5100
743 CA SER 333 0.0238 9.2721 11.2800
751 CA PRO 334 0.0228 9.1181 10.6200
758 CA LEU 335 0.0114 7.3229 9.2200
766 CA LEU 336 0.0263 9.6563 11.2100
774 CA PRO 337 0.0520 13.7041 13.1700
781 CA SER 338 0.0354 11.0941 13.0400
787 CA PHE 339 0.0118 7.3861 8.8300
788 CA PHE 339 0.0118 7.3885 9.1000
806 CA LYS 340 0.0157 7.9901 7.9100
815 CA GLN 341 0.0276 9.8711 7.9300
816 CA GLN 341 0.0279 9.9151 7.8400
830 CA TYR 342 0.0101 7.1197 6.7100
842 CA TRP 343 0.0091 6.9580 6.2000
856 CA ASN 344 0.0144 7.7916 7.8300
864 CA ARG 345 0.1138 23.4220 12.7500
875 CA GLY 346 0.2706 48.0890 11.0600
879 CA GLU 347 0.0177 8.3165 5.6700
888 CA PRO 348 0.0125 7.4948 6.1700
895 CA ASN 349 0.0343 10.9145 7.5900
903 CA ASN 350 0.0193 8.5640 7.8400
911 CA VAL 351 0.0408 11.9389 13.0800
912 CA VAL 351 0.0408 11.9421 13.1900
922 CA GLY 352 0.1374 27.1368 20.0800
926 CA GLU 353 0.0303 10.2957 15.0000
935 CA GLU 354 0.0106 7.1883 8.6200
944 CA ASP 355 0.0075 6.6978 5.2900
952 CA CYS 356 0.0047 6.2696 4.6900
958 CA ALA 357 0.0034 6.0553 4.3900
963 CA GLU 358 0.0047 6.2618 5.3000
972 CA PHE 359 0.0051 6.3206 4.8000
983 CA SER 360 0.0089 6.9303 9.4200
989 CA GLY 361 0.0150 7.8851 10.0900
993 CA ASN 362 0.0249 9.4485 11.6200
1001 CA GLY 363 0.0094 7.0056 6.9200
1005 CA TRP 364 0.0059 6.4500 5.0300
1019 CA ASN 365 0.0067 6.5734 5.2000
1027 CA ASP 366 0.0073 6.6686 5.1700
1035 CA ASP 367 0.0075 6.7112 5.4100
1043 CA LYS 368 0.0115 7.3323 7.3700
1052 CA CYS 369 0.0089 6.9277 6.8400
1053 CA CYS 369 0.0090 6.9398 9.3400
1054 CA CYS 369 0.0090 6.9352 9.0900
1064 CA ASN 370 0.0213 8.8724 4.9300
1072 CA LEU 371 0.0154 7.9449 6.8900
1073 CA LEU 371 0.0154 7.9417 6.5900
1085 CA ALA 372 0.0137 7.6749 6.8700
1090 CA LYS 373 0.0074 6.6968 5.4400
1099 CA PHE 374 0.0072 6.6550 3.9200
1110 CA TRP 375 0.0061 6.4781 4.9700
1124 CA ILE 376 0.0048 6.2844 5.3000
1132 CA CYS 377 0.0063 6.5094 5.9200
1133 CA CYS 377 0.0062 6.4969 8.6100
1141 CA LYS 378 0.0068 6.5892 5.1800
1150 CA LYS 379 0.0157 7.9887 7.5600
1159 CA SER 380 0.0315 10.4801 8.0300
1160 CA SER 380 0.0317 10.5186 7.3700
1168 CA ALA 381 0.0271 9.7953 8.6600
1173 CA ALA 382 0.0809 18.2501 14.6100
1178 CA SER 383 0.0921 20.0176 22.1100
1184 CA CYS 384 0.0708 16.6673 29.5400

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.