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

* Xilanase_model1_428-522 *

B-factor analysis for ID 2404070544032760801

Overall B-factor prediction

Correlation= 0.541 for 295 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 LYS 228 0.0714 7.0287 1.9400
24 CA LYS 229 0.0260 3.2894 1.9900
46 CA ILE 230 0.0062 1.6566 2.0500
65 CA GLY 231 0.0071 1.7377 1.7700
72 CA PHE 232 0.0019 1.3063 0.9200
92 CA PRO 233 0.0020 1.3171 0.7800
106 CA PHE 234 0.0012 1.2480 0.7300
126 CA GLY 235 0.0012 1.2508 0.5900
133 CA CYS 236 0.0009 1.2238 0.6000
144 CA ALA 237 0.0010 1.2333 0.5400
154 CA ILE 238 0.0015 1.2736 0.7100
173 CA ASN 239 0.0019 1.3027 0.8000
187 CA ARG 240 0.0028 1.3787 1.2300
211 CA ASN 241 0.0061 1.6543 1.6900
225 CA ILE 242 0.0033 1.4227 1.2300
244 CA LEU 243 0.0025 1.3579 1.1300
263 CA ASN 244 0.0052 1.5758 1.3400
277 CA ASN 245 0.0059 1.6322 1.3600
291 CA ASN 246 0.0115 2.0958 1.4500
305 CA ALA 247 0.0061 1.6518 1.3800
315 CA TYR 248 0.0027 1.3712 1.2100
336 CA GLN 249 0.0034 1.4294 1.2800
353 CA SER 250 0.0041 1.4888 1.3800
364 CA TRP 251 0.0024 1.3451 1.2100
388 CA PHE 252 0.0019 1.3090 1.0400
408 CA SER 253 0.0033 1.4239 1.2300
419 CA SER 254 0.0036 1.4494 1.2500
430 CA ARG 255 0.0023 1.3406 1.0000
454 CA PHE 256 0.0013 1.2548 0.8600
474 CA THR 257 0.0017 1.2869 0.8000
488 CA VAL 258 0.0011 1.2428 0.6400
504 CA THR 259 0.0011 1.2399 0.6200
518 CA THR 260 0.0010 1.2326 0.5400
532 CA PHE 261 0.0011 1.2394 0.6400
552 CA GLU 262 0.0013 1.2589 0.7200
567 CA ASN 263 0.0014 1.2670 1.1900
581 CA GLU 264 0.0016 1.2788 1.0500
596 CA MET 265 0.0013 1.2581 0.9700
613 CA LYS 266 0.0019 1.3043 1.0300
635 CA TRP 267 0.0017 1.2920 1.2200
659 CA ALA 268 0.0028 1.3832 1.3900
669 CA SER 269 0.0030 1.3950 1.3000
680 CA THR 270 0.0028 1.3819 1.1900
694 CA GLU 271 0.0030 1.4001 1.4600
709 CA PRO 272 0.0090 1.8882 1.8200
723 CA SER 273 0.0116 2.1028 2.0100
734 CA GLN 274 0.0095 1.9360 1.9900
751 CA GLY 275 0.0106 2.0247 2.4200
758 CA HIS 276 0.0104 2.0051 1.7800
776 CA GLU 277 0.0060 1.6462 1.5300
791 CA ASP 278 0.0052 1.5821 1.4700
803 CA TYR 279 0.0036 1.4491 1.3500
824 CA SER 280 0.0054 1.5945 1.4200
835 CA THR 281 0.0041 1.4873 1.2000
849 CA ALA 282 0.0022 1.3349 1.0400
859 CA ASP 283 0.0029 1.3854 1.2500
871 CA ALA 284 0.0034 1.4278 1.3000
881 CA MET 285 0.0022 1.3317 1.0500
898 CA VAL 286 0.0022 1.3351 1.0300
914 CA GLN 287 0.0038 1.4630 1.2900
931 CA PHE 288 0.0033 1.4227 1.2500
951 CA ALA 289 0.0025 1.3571 1.0300
961 CA LYS 290 0.0045 1.5184 1.1900
983 CA LYS 291 0.0083 1.8349 1.4000
1005 CA ASN 292 0.0049 1.5554 1.2700
1019 CA GLY 293 0.0059 1.6387 1.1700
1026 CA ILE 294 0.0021 1.3268 0.9100
1045 CA ALA 295 0.0021 1.3235 0.7800
1055 CA ILE 296 0.0013 1.2539 0.6900
1074 CA ARG 297 0.0010 1.2325 0.5800
1098 CA GLY 298 0.0010 1.2286 0.7000
1105 CA HIS 299 0.0009 1.2210 0.7900
1123 CA ASN 300 0.0010 1.2340 1.2000
1137 CA VAL 301 0.0009 1.2219 1.0800
1153 CA PHE 302 0.0011 1.2435 1.1900
1173 CA TRP 303 0.0013 1.2601 1.3000
1197 CA ASP 304 0.0026 1.3654 1.6400
1209 CA ASP 305 0.0046 1.5286 1.5900
1221 CA PRO 306 0.0075 1.7702 4.4400
1235 CA LYS 307 0.0137 2.2799 1.8400
1257 CA TYR 308 0.0094 1.9253 5.3100
1278 CA GLN 309 0.0058 1.6284 3.2400
1295 CA SER 310 0.0076 1.7748 2.2600
1306 CA GLY 311 0.0091 1.8969 1.9300
1313 CA TRP 312 0.0046 1.5276 1.8800
1337 CA VAL 313 0.0039 1.4717 1.7000
1353 CA SER 314 0.0087 1.8648 1.7700
1364 CA SER 315 0.0112 2.0682 1.8200
1375 CA LEU 316 0.0083 1.8344 1.7500
1394 CA SER 317 0.0123 2.1594 1.8700
1405 CA PRO 318 0.0088 1.8727 1.7900
1419 CA ASN 319 0.0134 2.2523 1.8700
1433 CA ASP 320 0.0073 1.7487 1.7900
1445 CA LEU 321 0.0040 1.4788 1.6200
1464 CA ASN 322 0.0035 1.4410 1.6100
1478 CA ALA 323 0.0046 1.5285 1.6600
1488 CA ALA 324 0.0032 1.4176 1.5200
1498 CA ALA 325 0.0020 1.3129 1.3500
1508 CA THR 326 0.0024 1.3464 1.4600
1522 CA LYS 327 0.0037 1.4567 1.4800
1544 CA ARG 328 0.0015 1.2773 1.3400
1568 CA ILE 329 0.0014 1.2681 1.2300
1587 CA ASN 330 0.0024 1.3478 1.3700
1601 CA SER 331 0.0026 1.3635 1.3700
1612 CA VAL 332 0.0017 1.2871 1.1200
1628 CA MET 333 0.0018 1.2986 1.1200
1645 CA ASN 334 0.0038 1.4600 1.3800
1659 CA ARG 335 0.0035 1.4395 1.3300
1683 CA TYR 336 0.0024 1.3489 1.1700
1704 CA LYS 337 0.0035 1.4371 1.2700
1726 CA GLY 338 0.0046 1.5315 1.3000
1733 CA GLN 339 0.0033 1.4192 1.1100
1750 CA VAL 340 0.0016 1.2827 0.9000
1766 CA ILE 341 0.0016 1.2842 0.8400
1785 CA GLY 342 0.0014 1.2623 0.7600
1792 CA TRP 343 0.0012 1.2477 0.7900
1816 CA ASP 344 0.0009 1.2208 0.7300
1828 CA VAL 345 0.0008 1.2167 0.8900
1844 CA VAL 346 0.0010 1.2357 0.9500
1860 CA ASN 347 0.0012 1.2461 0.9100
1874 CA GLU 348 0.0017 1.2926 1.0800
1889 CA ASN 349 0.0015 1.2759 1.2400
1903 CA LEU 350 0.0025 1.3585 1.5200
1922 CA HIS 351 0.0036 1.4448 2.1000
1940 CA PHE 352 0.0081 1.8176 3.1900
1960 CA SER 353 0.0055 1.6039 3.1600
1971 CA PHE 354 0.0061 1.6490 3.1700
1991 CA PHE 355 0.0040 1.4821 3.2600
2011 CA GLU 356 0.0087 1.8676 2.9600
2026 CA SER 357 0.0111 2.0645 3.2000
2037 CA LYS 358 0.0116 2.1029 3.3500
2059 CA LEU 359 0.0046 1.5298 1.9700
2078 CA GLY 360 0.0029 1.3912 1.6100
2085 CA ALA 361 0.0027 1.3760 1.6200
2095 CA ASN 362 0.0039 1.4702 1.6600
2109 CA ALA 363 0.0023 1.3419 1.5000
2119 CA SER 364 0.0017 1.2895 1.3900
2130 CA ALA 365 0.0021 1.3232 1.5200
2140 CA VAL 366 0.0020 1.3156 1.5300
2156 CA PHE 367 0.0015 1.2714 1.3900
2176 CA TYR 368 0.0016 1.2854 1.3200
2197 CA GLY 369 0.0025 1.3519 1.5100
2204 CA GLU 370 0.0023 1.3424 1.4500
2219 CA ALA 371 0.0019 1.3069 1.3800
2229 CA HIS 372 0.0034 1.4264 1.4800
2247 CA LYS 373 0.0056 1.6110 1.5300
2269 CA THR 374 0.0035 1.4401 1.4200
2283 CA ASP 375 0.0036 1.4431 1.3200
2295 CA PRO 376 0.0075 1.7641 1.3900
2309 CA SER 377 0.0094 1.9220 1.2700
2320 CA THR 378 0.0024 1.3439 1.1500
2334 CA THR 379 0.0020 1.3183 1.0300
2348 CA LEU 380 0.0011 1.2445 1.0500
2367 CA PHE 381 0.0011 1.2418 0.9400
2387 CA MET 382 0.0009 1.2245 1.0500
2404 CA ASN 383 0.0009 1.2254 0.9100
2418 CA GLU 384 0.0013 1.2589 1.1700
2433 CA TYR 385 0.0016 1.2787 1.1500
2454 CA ASN 386 0.0023 1.3357 1.6100
2468 CA THR 387 0.0017 1.2920 2.3700
2482 CA VAL 388 0.0028 1.3815 2.9600
2498 CA GLU 389 0.0035 1.4369 2.0100
2513 CA ASP 390 0.0119 2.1276 3.3900
2525 CA SER 391 0.0172 2.5689 4.1700
2536 CA ARG 392 0.0586 5.9757 4.0000
2560 CA ASP 393 0.0572 5.8576 4.9900
2572 CA GLY 394 0.0208 2.8650 5.8200
2579 CA GLN 395 0.0175 2.5944 3.7200
2596 CA ALA 396 0.0070 1.7242 3.0400
2606 CA THR 397 0.0072 1.7450 1.8500
2620 CA PRO 398 0.0033 1.4200 1.7200
2634 CA ALA 399 0.0050 1.5602 1.7700
2644 CA LYS 400 0.0051 1.5659 1.7500
2666 CA TYR 401 0.0026 1.3635 1.6500
2687 CA LEU 402 0.0027 1.3749 1.6600
2706 CA GLU 403 0.0040 1.4792 1.8000
2721 CA LYS 404 0.0025 1.3580 1.6600
2743 CA LEU 405 0.0019 1.3058 1.5700
2762 CA ARG 406 0.0034 1.4327 1.7500
2786 CA SER 407 0.0040 1.4773 1.8000
2797 CA ILE 408 0.0025 1.3600 1.6000
2816 CA GLN 409 0.0031 1.4059 1.7200
2833 CA SER 410 0.0079 1.7981 1.9500
2844 CA LEU 411 0.0064 1.6769 1.8500
2863 CA PRO 412 0.0179 2.6250 1.8800
2877 CA GLY 413 0.0118 2.1257 2.0500
2884 CA ASN 414 0.0034 1.4295 2.4000
2898 CA GLY 415 0.0048 1.5438 1.8300
2905 CA ASN 416 0.0029 1.3900 1.8500
2919 CA MET 417 0.0020 1.3184 1.3600
2936 CA GLY 418 0.0014 1.2627 1.1500
2943 CA ILE 419 0.0012 1.2479 1.1000
2962 CA GLY 420 0.0010 1.2324 0.8900
2969 CA LEU 421 0.0010 1.2339 0.9600
2988 CA GLU 422 0.0011 1.2399 0.9700
3003 CA SER 423 0.0011 1.2445 1.1700
3014 CA HIS 424 0.0019 1.3106 1.1100
3032 CA PHE 425 0.0022 1.3325 1.3500
3052 CA SER 426 0.0086 1.8604 1.7200
3063 CA SER 427 0.0072 1.7453 2.3900
3074 CA SER 428 0.0133 2.2459 2.3500
3085 CA PRO 429 0.0075 1.7704 2.1200
3099 CA PRO 430 0.0032 1.4159 1.7800
3113 CA ASN 431 0.0040 1.4813 1.7800
3127 CA ILE 432 0.0032 1.4132 1.6600
3146 CA PRO 433 0.0051 1.5726 1.8700
3160 CA TYR 434 0.0041 1.4881 1.7800
3181 CA MET 435 0.0023 1.3401 1.5100
3198 CA ARG 436 0.0033 1.4187 1.6300
3222 CA SER 437 0.0047 1.5410 1.8100
3233 CA ALA 438 0.0025 1.3584 1.6200
3243 CA ILE 439 0.0020 1.3141 1.4800
3262 CA ASP 440 0.0035 1.4397 1.7200
3274 CA THR 441 0.0038 1.4643 1.8000
3288 CA LEU 442 0.0024 1.3449 1.6000
3307 CA ALA 443 0.0032 1.4156 1.6200
3317 CA ALA 444 0.0072 1.7464 1.8800
3327 CA THR 445 0.0056 1.6135 1.8300
3341 CA GLY 446 0.0047 1.5390 1.6600
3348 CA LEU 447 0.0028 1.3841 1.4500
3367 CA PRO 448 0.0021 1.3245 1.2000
3381 CA VAL 449 0.0015 1.2772 1.0800
3397 CA TRP 450 0.0010 1.2298 0.8700
3421 CA LEU 451 0.0010 1.2301 0.8500
3440 CA THR 452 0.0009 1.2219 0.7700
3454 CA GLU 453 0.0010 1.2297 0.7300
3469 CA VAL 454 0.0011 1.2418 0.9300
3485 CA ASP 455 0.0014 1.2644 1.0200
3497 CA VAL 456 0.0024 1.3443 1.2000
3513 CA GLN 457 0.0039 1.4681 1.2400
3530 CA SER 458 0.0047 1.5374 1.6200
3541 CA GLY 459 0.0060 1.6449 2.2800
3548 CA GLY 460 0.0111 2.0620 2.2300
3555 CA ASN 461 0.0075 1.7638 1.8500
3569 CA GLN 462 0.0029 1.3929 1.4500
3586 CA ALA 463 0.0030 1.3966 1.4900
3596 CA GLN 464 0.0059 1.6381 1.6400
3613 CA SER 465 0.0029 1.3871 1.4900
3624 CA LEU 466 0.0016 1.2789 1.2500
3643 CA GLU 467 0.0022 1.3289 1.3800
3658 CA GLN 468 0.0024 1.3498 1.5000
3675 CA ILE 469 0.0016 1.2825 1.2800
3694 CA LEU 470 0.0016 1.2789 1.1400
3713 CA ARG 471 0.0030 1.3996 1.3200
3737 CA GLU 472 0.0023 1.3366 1.3800
3752 CA ALA 473 0.0018 1.3013 1.1800
3762 CA HIS 474 0.0025 1.3599 1.1700
3780 CA SER 475 0.0039 1.4716 1.4300
3791 CA HIS 476 0.0037 1.4587 1.4400
3809 CA PRO 477 0.0066 1.6940 1.4400
3823 CA LYS 478 0.0032 1.4114 1.3800
3845 CA VAL 479 0.0020 1.3167 1.1400
3861 CA ARG 480 0.0022 1.3349 1.0300
3885 CA GLY 481 0.0017 1.2861 0.7500
3892 CA ILE 482 0.0009 1.2232 0.6600
3911 CA VAL 483 0.0008 1.2193 0.5800
3927 CA ILE 484 0.0008 1.2149 0.8000
3946 CA TRP 485 0.0009 1.2240 1.0700
3970 CA SER 486 0.0017 1.2872 1.0500
3981 CA ALA 487 0.0014 1.2633 1.0000
3991 CA TRP 488 0.0022 1.3278 1.2200
4015 CA SER 489 0.0032 1.4110 1.6700
4026 CA PRO 490 0.0091 1.8958 3.8600
4040 CA ASN 491 0.0155 2.4224 1.9500
4054 CA GLY 492 0.0091 1.9025 2.8300
4061 CA CYS 493 0.0083 1.8364 3.1600
4072 CA TYR 494 0.0032 1.4142 3.5100
4093 CA ARG 495 0.0038 1.4628 2.0000
4117 CA MET 496 0.0020 1.3154 2.1800
4134 CA CYS 497 0.0020 1.3173 1.6700
4145 CA LEU 498 0.0017 1.2893 1.3500
4164 CA THR 499 0.0024 1.3502 1.5500
4178 CA ASP 500 0.0058 1.6278 1.8100
4190 CA ASN 501 0.0100 1.9704 1.9300
4204 CA ASN 502 0.0111 2.0647 2.0700
4218 CA PHE 503 0.0057 1.6219 1.5700
4238 CA HIS 504 0.0091 1.8953 1.8500
4256 CA ASN 505 0.0047 1.5371 1.5200
4270 CA LEU 506 0.0034 1.4335 1.5100
4289 CA PRO 507 0.0037 1.4518 1.5000
4303 CA THR 508 0.0020 1.3144 1.3500
4317 CA GLY 509 0.0021 1.3220 1.2800
4324 CA ASP 510 0.0033 1.4232 1.4100
4336 CA VAL 511 0.0026 1.3679 1.3400
4352 CA VAL 512 0.0018 1.2958 1.1100
4368 CA ASP 513 0.0027 1.3710 1.2300
4380 CA LYS 514 0.0045 1.5227 1.3800
4402 CA LEU 515 0.0030 1.3953 1.2500
4421 CA LEU 516 0.0032 1.4110 1.1400
4440 CA ARG 517 0.0059 1.6383 1.3400
4464 CA GLU 518 0.0067 1.7056 1.4000
4479 CA TRP 519 0.0055 1.6024 1.3700
4503 CA GLY 520 0.0129 2.2155 1.8300
4510 CA GLY 521 0.0193 2.7423 4.5300
4517 CA GLY 522 0.1163 10.7253 4.3800

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.