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

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

B-factor analysis for ID 2404061749242688586

Overall B-factor prediction

Correlation= 0.780 for 272 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 CYS 253 0.4470 66.4693 75.6000
8 CA HIS 254 0.2123 44.8872 49.0500
18 CA PRO 255 0.1011 34.6553 38.6800
25 CA CYS 256 0.0675 31.5668 34.6900
31 CA PRO 257 0.0830 32.9941 34.2800
38 CA TRP 258 0.1317 37.4678 36.2900
52 CA GLU 259 0.0866 33.3242 38.0400
61 CA TRP 260 0.0474 29.7202 33.3400
75 CA THR 261 0.0408 29.1141 32.7200
82 CA PHE 262 0.0453 29.5295 34.1500
93 CA PHE 263 0.0432 29.3314 30.9600
104 CA GLN 264 0.0571 30.6096 28.8400
113 CA GLY 265 0.0590 30.7866 29.0700
117 CA ASN 266 0.0358 28.6498 32.4300
125 CA CYS 267 0.0271 27.8508 28.3000
131 CA TYR 268 0.0195 27.1532 28.5600
143 CA PHE 269 0.0187 27.0799 31.4300
154 CA MET 270 0.0191 27.1179 30.9400
162 CA SER 271 0.0212 27.3085 28.1500
168 CA ASN 272 0.0323 28.3292 32.3300
169 CA ASN 272 0.0323 28.3325 36.6900
181 CA SER 273 0.0233 27.5029 30.1900
187 CA GLN 274 0.0178 26.9995 24.0500
196 CA ARG 275 0.0222 27.3995 21.3700
207 CA ASN 276 0.0209 27.2839 21.1000
215 CA TRP 277 0.0151 26.7478 18.8100
229 CA HIS 278 0.0233 27.5015 21.4400
239 CA ASP 279 0.0292 28.0479 25.0200
247 CA SER 280 0.0169 26.9115 25.9400
253 CA ILE 281 0.0201 27.2085 26.8400
261 CA THR 282 0.0349 28.5730 30.0600
268 CA ALA 283 0.0309 28.2032 27.8100
273 CA CYS 284 0.0225 27.4262 28.1800
279 CA LYS 285 0.0473 29.7061 30.6600
288 CA GLU 286 0.0721 31.9919 34.7400
297 CA VAL 287 0.0529 30.2252 30.8300
304 CA GLY 288 0.0535 30.2816 26.8000
308 CA ALA 289 0.0247 27.6325 27.8900
313 CA GLN 290 0.0166 26.8851 25.9000
314 CA GLN 290 0.0165 26.8793 26.5100
328 CA LEU 291 0.0090 26.1840 25.5100
336 CA VAL 292 0.0072 26.0256 21.9400
343 CA VAL 293 0.0099 26.2730 25.0700
350 CA ILE 294 0.0119 26.4541 26.6800
358 CA LYS 295 0.0243 27.5933 33.7900
367 CA SER 296 0.0331 28.4056 34.1000
373 CA ALA 297 0.0438 29.3912 34.6500
378 CA GLU 298 0.0443 29.4303 31.8300
379 CA GLU 298 0.0444 29.4383 31.8000
393 CA GLU 299 0.0225 27.4320 28.2700
402 CA GLN 300 0.0194 27.1449 24.6200
411 CA ASN 301 0.0322 28.3195 24.9900
419 CA PHE 302 0.0270 27.8430 24.3700
430 CA LEU 303 0.0156 26.7942 26.8300
438 CA GLN 304 0.0184 27.0547 27.4100
447 CA LEU 305 0.0305 28.1615 37.9600
455 CA GLN 306 0.0251 27.6659 38.9900
464 CA SER 307 0.0199 27.1874 35.0300
470 CA SER 308 0.0321 28.3149 36.3300
476 CA ARG 309 0.0527 30.2079 37.8300
487 CA SER 310 0.0465 29.6394 30.1900
493 CA ASN 311 0.0290 28.0271 32.5400
501 CA ARG 312 0.0190 27.1071 30.6700
512 CA PHE 313 0.0134 26.5903 25.5500
523 CA THR 314 0.0099 26.2708 26.4900
530 CA TRP 315 0.0072 26.0251 23.0900
544 CA MET 316 0.0053 25.8436 25.6000
552 CA GLY 317 0.0084 26.1359 23.1900
556 CA LEU 318 0.0093 26.2118 23.5300
564 CA SER 319 0.0167 26.8942 26.4500
570 CA ASP 320 0.0258 27.7323 27.1600
578 CA LEU 321 0.0399 29.0263 25.8500
586 CA ASN 322 0.0697 31.7679 28.7600
587 CA ASN 322 0.0695 31.7548 32.1600
599 CA GLN 323 0.0658 31.4093 28.7300
608 CA GLU 324 0.0576 30.6525 26.8200
617 CA GLY 325 0.0568 30.5809 28.8900
621 CA THR 326 0.0510 30.0460 29.7100
628 CA TRP 327 0.0237 27.5389 25.4300
642 CA GLN 328 0.0241 27.5724 29.0800
651 CA TRP 329 0.0149 26.7294 26.3400
665 CA VAL 330 0.0186 27.0719 30.4700
672 CA ASP 331 0.0358 28.6469 30.0700
680 CA GLY 332 0.0454 29.5296 26.8500
684 CA SER 333 0.0386 28.9127 28.2300
690 CA PRO 334 0.0384 28.8914 27.1100
697 CA LEU 335 0.0287 27.9993 29.7900
705 CA LEU 336 0.0451 29.5029 36.5400
713 CA PRO 337 0.0788 32.6096 38.7000
720 CA SER 338 0.0717 31.9485 40.6900
726 CA PHE 339 0.0325 28.3499 38.1900
737 CA LYS 340 0.0399 29.0261 34.2500
746 CA GLN 341 0.0497 29.9303 31.5000
755 CA TYR 342 0.0312 28.2238 32.2400
767 CA TRP 343 0.0291 28.0376 30.0100
781 CA ASN 344 0.0394 28.9851 30.6000
789 CA ARG 345 0.1566 39.7582 37.9700
800 CA GLY 346 0.1470 38.8789 29.5300
804 CA GLU 347 0.0424 29.2609 27.7100
813 CA PRO 348 0.0352 28.5984 27.0600
820 CA ASN 349 0.0579 30.6828 26.2500
828 CA ASN 350 0.0469 29.6718 25.1200
836 CA VAL 351 0.0772 32.4576 25.2900
843 CA GLY 352 0.0915 33.7762 30.1300
847 CA GLU 353 0.0630 31.1567 33.4100
856 CA GLU 354 0.0322 28.3174 25.1800
865 CA ASP 355 0.0239 27.5543 28.4000
873 CA CYS 356 0.0142 26.6648 25.0200
879 CA ALA 357 0.0097 26.2491 21.1300
884 CA GLU 358 0.0098 26.2577 22.4700
893 CA PHE 359 0.0116 26.4229 24.6100
904 CA SER 360 0.0192 27.1262 28.5100
910 CA GLY 361 0.0416 29.1856 30.9300
914 CA ASN 362 0.0426 29.2790 33.1000
922 CA GLY 363 0.0243 27.5968 30.5800
926 CA TRP 364 0.0181 27.0204 26.6800
940 CA ASN 365 0.0200 27.2012 25.3400
948 CA ASP 366 0.0192 27.1281 20.4500
956 CA ASP 367 0.0184 27.0537 22.9400
964 CA LYS 368 0.0218 27.3666 24.2400
973 CA CYS 369 0.0198 27.1790 22.2100
979 CA ASN 370 0.0248 27.6361 24.5200
987 CA LEU 371 0.0192 27.1255 25.4000
995 CA ALA 372 0.0182 27.0361 24.7400
1000 CA LYS 373 0.0143 26.6731 22.5900
1009 CA PHE 374 0.0130 26.5583 23.5600
1020 CA TRP 375 0.0100 26.2766 23.7200
1034 CA ILE 376 0.0087 26.1574 23.8400
1042 CA CYS 377 0.0123 26.4931 25.5000
1048 CA LYS 378 0.0136 26.6113 27.8000
1057 CA LYS 379 0.0301 28.1285 29.3500
1066 CA SER 380 0.0489 29.8557 35.9400
1072 CA ALA 381 0.0685 31.6619 40.0600
1077 CA ALA 382 0.1392 38.1617 50.3100
1082 CA SER 383 0.4554 67.2365 81.9400
1088 CA CYS 384 0.4722 68.7894 97.7000
1094 CA LEU 252 1.0272 119.8297 66.3600
1102 CA CYS 253 0.4667 68.2745 52.4900
1108 CA HIS 254 0.1748 41.4323 36.1000
1118 CA PRO 255 0.1011 34.6562 28.1500
1125 CA CYS 256 0.0601 30.8833 27.5100
1131 CA PRO 257 0.0710 31.8876 31.4900
1138 CA TRP 258 0.1441 38.6150 34.8700
1152 CA GLU 259 0.1019 34.7286 39.3500
1161 CA TRP 260 0.0385 28.8952 30.3900
1175 CA THR 261 0.0383 28.8814 29.2000
1182 CA PHE 262 0.0449 29.4922 27.1900
1193 CA PHE 263 0.0375 28.8085 26.8300
1204 CA GLN 264 0.0578 30.6770 26.1600
1213 CA GLY 265 0.0601 30.8823 29.6600
1217 CA ASN 266 0.0339 28.4759 26.5700
1225 CA CYS 267 0.0275 27.8860 29.4700
1231 CA TYR 268 0.0168 26.9060 27.7500
1243 CA PHE 269 0.0182 27.0356 26.7300
1254 CA MET 270 0.0159 26.8228 27.7400
1262 CA SER 271 0.0183 27.0464 26.5500
1268 CA ASN 272 0.0353 28.6063 29.8000
1269 CA ASN 272 0.0349 28.5715 30.3900
1281 CA SER 273 0.0268 27.8200 27.9300
1287 CA GLN 274 0.0186 27.0711 26.6400
1296 CA ARG 275 0.0194 27.1476 26.0000
1307 CA ASN 276 0.0205 27.2399 25.0500
1315 CA TRP 277 0.0142 26.6664 22.2900
1329 CA HIS 278 0.0250 27.6607 24.5800
1339 CA ASP 279 0.0278 27.9133 22.2500
1347 CA SER 280 0.0166 26.8881 21.8500
1353 CA ILE 281 0.0185 27.0619 23.2400
1361 CA THR 282 0.0361 28.6785 24.3400
1368 CA ALA 283 0.0313 28.2365 25.2500
1373 CA CYS 284 0.0218 27.3667 25.8700
1379 CA LYS 285 0.0403 29.0664 31.3100
1388 CA GLU 286 0.0675 31.5684 30.0500
1397 CA VAL 287 0.0584 30.7295 28.2900
1404 CA GLY 288 0.0588 30.7709 27.2000
1408 CA ALA 289 0.0278 27.9181 26.6000
1413 CA GLN 290 0.0156 26.7966 28.2000
1422 CA LEU 291 0.0095 26.2294 22.4600
1430 CA VAL 292 0.0079 26.0858 21.5700
1437 CA VAL 293 0.0105 26.3257 26.7000
1444 CA ILE 294 0.0135 26.6041 26.4600
1452 CA LYS 295 0.0243 27.5893 29.5600
1461 CA SER 296 0.0365 28.7119 31.6000
1467 CA ALA 297 0.0389 28.9405 33.5400
1472 CA GLU 298 0.0455 29.5419 35.0100
1473 CA GLU 298 0.0454 29.5320 33.1000
1487 CA GLU 299 0.0245 27.6160 31.3600
1496 CA GLN 300 0.0197 27.1685 26.5900
1505 CA ASN 301 0.0304 28.1519 25.4700
1513 CA PHE 302 0.0249 27.6481 25.5000
1524 CA LEU 303 0.0167 26.8948 23.5300
1532 CA GLN 304 0.0196 27.1577 24.3700
1541 CA LEU 305 0.0291 28.0390 28.1700
1549 CA GLN 306 0.0225 27.4325 29.7400
1558 CA SER 307 0.0188 27.0901 28.0200
1564 CA SER 308 0.0334 28.4334 32.9400
1570 CA ARG 309 0.0496 29.9245 37.2600
1581 CA SER 310 0.0433 29.3400 33.7700
1587 CA ASN 311 0.0363 28.6954 35.9600
1595 CA ARG 312 0.0164 26.8712 29.7700
1606 CA PHE 313 0.0146 26.7005 23.4900
1617 CA THR 314 0.0096 26.2420 23.5900
1624 CA TRP 315 0.0075 26.0462 24.8500
1638 CA MET 316 0.0059 25.9053 23.4300
1646 CA GLY 317 0.0076 26.0578 22.9500
1650 CA LEU 318 0.0107 26.3428 24.3700
1658 CA SER 319 0.0159 26.8214 26.2100
1664 CA ASP 320 0.0278 27.9111 27.6000
1672 CA LEU 321 0.0381 28.8673 29.6000
1680 CA ASN 322 0.0742 32.1811 37.4400
1681 CA ASN 322 0.0741 32.1762 34.9800
1693 CA GLN 323 0.0781 32.5447 34.4500
1702 CA GLU 324 0.0582 30.7096 31.4200
1711 CA GLY 325 0.0552 30.4386 29.7900
1715 CA THR 326 0.0415 29.1711 28.0600
1722 CA TRP 327 0.0244 27.6022 29.8700
1736 CA GLN 328 0.0238 27.5448 29.8800
1745 CA TRP 329 0.0171 26.9320 24.0700
1759 CA VAL 330 0.0216 27.3458 26.7800
1766 CA ASP 331 0.0345 28.5339 29.8200
1774 CA GLY 332 0.0504 29.9984 35.0000
1778 CA SER 333 0.0415 29.1794 31.4800
1784 CA PRO 334 0.0418 29.2011 32.0100
1791 CA LEU 335 0.0283 27.9646 33.0400
1799 CA LEU 336 0.0539 30.3163 33.6300
1807 CA PRO 337 0.0781 32.5430 37.7300
1814 CA SER 338 0.0620 31.0613 36.7200
1820 CA PHE 339 0.0347 28.5490 34.7900
1831 CA LYS 340 0.0415 29.1780 35.9700
1840 CA GLN 341 0.0531 30.2441 30.1100
1849 CA TYR 342 0.0291 28.0357 29.0300
1861 CA TRP 343 0.0282 27.9498 30.4800
1875 CA ASN 344 0.0426 29.2771 32.1600
1883 CA ARG 345 0.1012 34.6674 35.8300
1894 CA GLY 346 0.0716 31.9438 27.2100
1898 CA GLU 347 0.0413 29.1529 30.6300
1907 CA PRO 348 0.0337 28.4568 32.1100
1914 CA ASN 349 0.0508 30.0323 30.6500
1922 CA ASN 350 0.0471 29.6905 27.6900
1930 CA VAL 351 0.0651 31.3438 32.2700
1937 CA GLY 352 0.0899 33.6222 33.5400
1941 CA GLU 353 0.0633 31.1836 34.8700
1950 CA GLU 354 0.0297 28.0927 26.3600
1959 CA ASP 355 0.0240 27.5634 26.7700
1967 CA CYS 356 0.0132 26.5694 26.3900
1973 CA ALA 357 0.0103 26.3025 23.2200
1978 CA GLU 358 0.0095 26.2296 24.6600
1987 CA PHE 359 0.0109 26.3637 22.9400
1998 CA SER 360 0.0190 27.1086 28.2400
2004 CA GLY 361 0.0295 28.0745 30.5900
2008 CA ASN 362 0.0510 30.0494 30.6600
2016 CA GLY 363 0.0263 27.7746 27.5800
2020 CA TRP 364 0.0170 26.9240 26.9800
2034 CA ASN 365 0.0191 27.1159 25.1300
2042 CA ASP 366 0.0183 27.0451 24.6600
2050 CA ASP 367 0.0190 27.1080 23.3100
2058 CA LYS 368 0.0217 27.3534 27.9800
2067 CA CYS 369 0.0194 27.1462 25.7300
2073 CA ASN 370 0.0247 27.6349 30.2300
2081 CA LEU 371 0.0193 27.1352 26.5000
2089 CA ALA 372 0.0175 26.9670 25.4200
2094 CA LYS 373 0.0147 26.7096 23.3400
2103 CA PHE 374 0.0134 26.5886 20.6200
2114 CA TRP 375 0.0100 26.2830 22.9600
2128 CA ILE 376 0.0087 26.1615 25.0100
2136 CA CYS 377 0.0106 26.3341 23.9200
2142 CA LYS 378 0.0150 26.7365 24.7900
2151 CA LYS 379 0.0249 27.6469 29.1000
2160 CA SER 380 0.0562 30.5251 33.2900
2166 CA ALA 381 0.0632 31.1749 29.2200
2171 CA ALA 382 0.1566 39.7569 31.4200
2176 CA SER 383 0.3192 54.7181 44.2800
2182 CA CYS 384 0.4758 69.1187 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.