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
5 CA GLU- 4 0.0155
20 CA ASP- 5 0.0107
32 CA ALA 6 0.0111
42 CA GLU- 7 0.0043
57 CA LEU 8 0.0035
76 CA LEU 9 0.0047
95 CA VAL 10 0.0031
111 CA THR 11 0.0041
125 CA VAL 12 0.0037
141 CA ARG+ 13 0.0054
165 CA GLY 14 0.0049
172 CA GLY 15 0.0052
179 CA ARG+ 16 0.0046
203 CA LEU 17 0.0033
222 CA ARG+ 18 0.0037
246 CA GLY 19 0.0027
253 CA ILE 20 0.0029
272 CA ARG+ 21 0.0032
296 CA LEU 22 0.0031
315 CA LYS+ 23 0.0039
337 CA THR 24 0.0039
359 CA PRO 25 0.0072
365 CA GLY 26 0.0086
372 CA GLY 27 0.0076
387 CA PRO 28 0.0035
393 CA VAL 29 0.0021
409 CA SER 30 0.0020
420 CA ALA 31 0.0015
430 CA PHE 32 0.0014
450 CA LEU 33 0.0016
469 CA GLY 34 0.0018
476 CA ILE 35 0.0015
503 CA PRO 36 0.0018
509 CA PHE 37 0.0016
529 CA ALA 38 0.0018
539 CA GLU- 39 0.0028
562 CA PRO 40 0.0025
576 CA PRO 41 0.0019
582 CA MET 42 0.0027
599 CA GLY 43 0.0034
614 CA PRO 44 0.0035
620 CA ARG+ 45 0.0025
644 CA ARG+ 46 0.0016
668 CA PHE 47 0.0016
688 CA LEU 48 0.0020
715 CA PRO 49 0.0018
729 CA PRO 50 0.0020
735 CA GLU- 51 0.0034
758 CA PRO 52 0.0042
764 CA LYS+ 53 0.0040
786 CA GLN 54 0.0072
811 CA PRO 55 0.0096
817 CA TRP 56 0.0102
841 CA SER 57 0.0185
852 CA GLY 58 0.0132
859 CA VAL 59 0.0083
875 CA VAL 60 0.0066
891 CA ASP- 61 0.0048
903 CA ALA 62 0.0030
913 CA THR 63 0.0033
927 CA THR 64 0.0025
941 CA PHE 65 0.0018
961 CA GLN 66 0.0023
978 CA SER 67 0.0019
989 CA VAL 68 0.0015
1005 CA CYSS 69 0.0015
1015 CA TYR 70 0.0019
1036 CA GLN 71 0.0016
1053 CA TYR 72 0.0018
1074 CA VAL 73 0.0028
1090 CA ASP- 74 0.0032
1102 CA THR 75 0.0062
1116 CA LEU 76 0.0041
1135 CA TYR 77 0.0031
1164 CA PRO 78 0.0040
1170 CA GLY 79 0.0055
1177 CA PHE 80 0.0043
1197 CA GLU- 81 0.0040
1212 CA GLY 82 0.0024
1219 CA THR 83 0.0026
1233 CA GLU- 84 0.0037
1248 CA MET 85 0.0018
1265 CA TRP 86 0.0018
1289 CA ASN 87 0.0025
1311 CA PRO 88 0.0021
1317 CA ASN 89 0.0023
1331 CA ARG+ 90 0.0024
1355 CA GLU- 91 0.0032
1370 CA LEU 92 0.0024
1389 CA SER 93 0.0026
1400 CA GLU- 94 0.0018
1415 CA ASP- 95 0.0017
1427 CA CYSS 96 0.0017
1437 CA LEU 97 0.0011
1456 CA TYR 98 0.0010
1477 CA LEU 99 0.0010
1496 CA ASN 100 0.0009
1510 CA VAL 101 0.0008
1526 CA TRP 102 0.0009
1550 CA THR 103 0.0016
1572 CA PRO 104 0.0022
1578 CA TYR 105 0.0030
1607 CA PRO 106 0.0040
1613 CA ARG+ 107 0.0028
1645 CA PRO 108 0.0033
1651 CA THR 109 0.0102
1665 CA SER 110 0.0120
1684 CA PRO 111 0.0052
1690 CA THR 112 0.0021
1712 CA PRO 113 0.0017
1718 CA VAL 114 0.0013
1734 CA LEU 115 0.0007
1753 CA VAL 116 0.0006
1769 CA TRP 117 0.0006
1793 CA ILE 118 0.0006
1812 CA TYR 119 0.0007
1833 CA GLY 120 0.0007
1840 CA GLY 121 0.0009
1847 CA GLY 122 0.0008
1854 CA PHE 123 0.0008
1874 CA TYR 124 0.0010
1895 CA SER 125 0.0010
1906 CA GLY 126 0.0012
1913 CA ALA 127 0.0010
1923 CA SER 128 0.0010
1934 CA SER 129 0.0012
1945 CA LEU 130 0.0012
1964 CA ASP- 131 0.0011
1976 CA VAL 132 0.0011
1992 CA TYR 133 0.0008
2013 CA ASP- 134 0.0008
2025 CA GLY 135 0.0009
2032 CA ARG+ 136 0.0011
2056 CA PHE 137 0.0011
2076 CA LEU 138 0.0011
2095 CA VAL 139 0.0014
2111 CA GLN 140 0.0020
2128 CA ALA 141 0.0025
2138 CA GLU- 142 0.0017
2153 CA ARG+ 143 0.0017
2177 CA THR 144 0.0013
2191 CA VAL 145 0.0010
2207 CA LEU 146 0.0008
2226 CA VAL 147 0.0008
2242 CA SER 148 0.0007
2253 CA MET 149 0.0007
2270 CA ASN 150 0.0008
2284 CA TYR 151 0.0008
2305 CA ARG+ 152 0.0008
2329 CA VAL 153 0.0009
2345 CA GLY 154 0.0011
2352 CA ALA 155 0.0011
2362 CA PHE 156 0.0011
2382 CA GLY 157 0.0009
2389 CA PHE 158 0.0009
2409 CA LEU 159 0.0010
2428 CA ALA 160 0.0017
2438 CA LEU 161 0.0022
2465 CA PRO 162 0.0027
2471 CA GLY 163 0.0045
2478 CA SER 164 0.0039
2489 CA ARG+ 165 0.0034
2513 CA GLU- 166 0.0030
2528 CA ALA 167 0.0022
2546 CA PRO 168 0.0022
2552 CA GLY 169 0.0013
2559 CA ASN 170 0.0012
2573 CA VAL 171 0.0012
2589 CA GLY 172 0.0010
2596 CA LEU 173 0.0010
2615 CA LEU 174 0.0011
2634 CA ASP- 175 0.0010
2646 CA GLN 176 0.0010
2663 CA ARG+ 177 0.0011
2687 CA LEU 178 0.0012
2706 CA ALA 179 0.0010
2716 CA LEU 180 0.0010
2735 CA GLN 181 0.0016
2752 CA TRP 182 0.0014
2776 CA VAL 183 0.0012
2792 CA GLN 184 0.0020
2809 CA GLU- 185 0.0026
2824 CA ASN 186 0.0024
2838 CA VAL 187 0.0021
2854 CA ALA 188 0.0024
2864 CA ALA 189 0.0025
2874 CA PHE 190 0.0015
2894 CA GLY 191 0.0020
2901 CA GLY 192 0.0019
2908 CA ASP- 193 0.0027
2928 CA PRO 194 0.0033
2934 CA THR 195 0.0039
2948 CA SER 196 0.0016
2959 CA VAL 197 0.0013
2975 CA THR 198 0.0011
2989 CA LEU 199 0.0007
3008 CA PHE 200 0.0006
3028 CA GLY 201 0.0007
3035 CA GLU- 202 0.0007
3050 CA SER 203 0.0007
3061 CA ALA 204 0.0007
3071 CA GLY 205 0.0008
3078 CA ALA 206 0.0007
3088 CA ALA 207 0.0008
3098 CA SER 208 0.0008
3109 CA VAL 209 0.0008
3125 CA GLY 210 0.0009
3132 CA MET 211 0.0010
3149 CA HIS 212 0.0011
3166 CA LEU 213 0.0012
3185 CA LEU 214 0.0021
3204 CA SER 215 0.0021
3223 CA PRO 216 0.0035
3237 CA PRO 217 0.0036
3243 CA SER 218 0.0023
3254 CA ARG+ 219 0.0023
3278 CA GLY 220 0.0020
3285 CA LEU 221 0.0017
3304 CA PHE 222 0.0016
3324 CA HIS 223 0.0017
3341 CA ARG+ 224 0.0013
3365 CA ALA 225 0.0012
3375 CA VAL 226 0.0007
3391 CA LEU 227 0.0007
3410 CA GLN 228 0.0007
3427 CA SER 229 0.0008
3438 CA GLY 230 0.0008
3445 CA ALA 231 0.0009
3463 CA PRO 232 0.0012
3469 CA ASN 233 0.0014
3483 CA GLY 234 0.0014
3498 CA PRO 235 0.0011
3504 CA TRP 236 0.0010
3528 CA ALA 237 0.0010
3538 CA THR 238 0.0016
3552 CA VAL 239 0.0020
3568 CA GLY 240 0.0029
3575 CA MET 241 0.0034
3592 CA GLY 242 0.0045
3599 CA GLU- 243 0.0042
3614 CA ALA 244 0.0026
3624 CA ARG+ 245 0.0026
3648 CA ARG+ 246 0.0030
3672 CA ARG+ 247 0.0022
3696 CA ALA 248 0.0021
3706 CA THR 249 0.0031
3720 CA GLN 250 0.0032
3737 CA LEU 251 0.0026
3756 CA ALA 252 0.0031
3766 CA HIS 253 0.0060
3783 CA LEU 254 0.0054
3802 CA VAL 255 0.0050
3818 CA GLY 256 0.0075
3825 CA CYS 257 0.0059
3844 CA PRO 258 0.0064
3853 CA ASN 265 0.0070
3867 CA ASP- 266 0.0070
3879 CA THR 267 0.0129
3893 CA GLU- 268 0.0067
3908 CA LEU 269 0.0038
3927 CA VAL 270 0.0042
3943 CA ALA 271 0.0052
3953 CA CYS 272 0.0042
3964 CA LEU 273 0.0029
3983 CA ARG+ 274 0.0029
4007 CA THR 275 0.0041
4021 CA ARG+ 276 0.0041
4053 CA PRO 277 0.0033
4059 CA ALA 278 0.0031
4069 CA GLN 279 0.0038
4086 CA VAL 280 0.0035
4102 CA LEU 281 0.0022
4121 CA VAL 282 0.0024
4137 CA ASN 283 0.0040
4151 CA HIS 284 0.0031
4168 CA GLU- 285 0.0021
4183 CA TRP 286 0.0021
4207 CA HIS 287 0.0028
4224 CA VAL 288 0.0024
4240 CA LEU 289 0.0029
4267 CA PRO 290 0.0037
4273 CA GLN 291 0.0036
4290 CA GLU- 292 0.0029
4305 CA SER 293 0.0020
4316 CA VAL 294 0.0017
4332 CA PHE 295 0.0011
4352 CA ARG+ 296 0.0011
4376 CA PHE 297 0.0012
4396 CA SER 298 0.0012
4407 CA PHE 299 0.0010
4427 CA VAL 300 0.0011
4451 CA PRO 301 0.0012
4457 CA VAL 302 0.0016
4473 CA VAL 303 0.0021
4489 CA ASP- 304 0.0024
4501 CA GLY 305 0.0029
4508 CA ASP- 306 0.0025
4520 CA PHE 307 0.0017
4540 CA LEU 308 0.0019
4559 CA SER 309 0.0028
4570 CA ASP- 310 0.0076
4582 CA THR 311 0.0051
4604 CA PRO 312 0.0028
4610 CA GLU- 313 0.0031
4625 CA ALA 314 0.0039
4635 CA LEU 315 0.0036
4654 CA ILE 316 0.0028
4673 CA ASN 317 0.0042
4687 CA ALA 318 0.0054
4697 CA GLY 319 0.0039
4704 CA ASP- 320 0.0038
4716 CA PHE 321 0.0028
4736 CA HIS 322 0.0037
4753 CA GLY 323 0.0037
4760 CA LEU 324 0.0024
4779 CA GLN 325 0.0014
4796 CA VAL 326 0.0012
4812 CA LEU 327 0.0010
4831 CA VAL 328 0.0009
4847 CA GLY 329 0.0008
4854 CA VAL 330 0.0010
4870 CA VAL 331 0.0010
4886 CA LYS+ 332 0.0011
4908 CA ASP- 333 0.0011
4920 CA GLU- 334 0.0009
4935 CA GLY 335 0.0010
4942 CA SER 336 0.0010
4953 CA TYR 337 0.0011
4974 CA PHE 338 0.0012
4994 CA LEU 339 0.0012
5013 CA VAL 340 0.0015
5029 CA TYR 341 0.0016
5050 CA GLY 342 0.0018
5057 CA ALA 343 0.0028
5075 CA PRO 344 0.0071
5081 CA GLY 345 0.0078
5088 CA PHE 346 0.0025
5108 CA SER 347 0.0024
5119 CA LYS+ 348 0.0025
5141 CA ASP- 349 0.0053
5153 CA ASN 350 0.0046
5167 CA GLU- 351 0.0043
5182 CA SER 352 0.0045
5193 CA LEU 353 0.0062
5212 CA ILE 354 0.0058
5231 CA SER 355 0.0070
5242 CA ARG+ 356 0.0054
5266 CA ALA 357 0.0074
5276 CA GLU- 358 0.0054
5291 CA PHE 359 0.0033
5311 CA LEU 360 0.0039
5330 CA ALA 361 0.0038
5340 CA GLY 362 0.0028
5347 CA VAL 363 0.0025
5363 CA ARG+ 364 0.0030
5387 CA VAL 365 0.0025
5403 CA GLY 366 0.0022
5410 CA VAL 367 0.0023
5434 CA PRO 368 0.0036
5440 CA GLN 369 0.0070
5457 CA VAL 370 0.0072
5473 CA SER 371 0.0114
5484 CA ASP- 372 0.0107
5496 CA LEU 373 0.0141
5515 CA ALA 374 0.0070
5525 CA ALA 375 0.0045
5535 CA GLU- 376 0.0047
5550 CA ALA 377 0.0052
5560 CA VAL 378 0.0040
5576 CA VAL 379 0.0034
5592 CA LEU 380 0.0056
5611 CA HIS 381 0.0068
5628 CA TYR 382 0.0044
5649 CA THR 383 0.0065
5663 CA ASP- 384 0.0108
5675 CA TRP 385 0.0311
5699 CA LEU 386 0.0359
5718 CA HIS 387 0.0233
5743 CA PRO 388 0.0134
5749 CA GLU- 389 0.0106
5764 CA ASP- 390 0.0121
5784 CA PRO 391 0.0105
5790 CA ALA 392 0.0099
5800 CA ARG+ 393 0.0062
5824 CA LEU 394 0.0041
5843 CA ARG+ 395 0.0030
5867 CA GLU- 396 0.0032
5882 CA ALA 397 0.0021
5892 CA LEU 398 0.0016
5911 CA SER 399 0.0016
5922 CA ASP- 400 0.0015
5934 CA VAL 401 0.0013
5950 CA VAL 402 0.0013
5966 CA GLY 403 0.0012
5973 CA ASP- 404 0.0012
5985 CA HIS 405 0.0013
6002 CA ASN 406 0.0010
6016 CA VAL 407 0.0010
6032 CA VAL 408 0.0010
6048 CA CYS 409 0.0014
6067 CA PRO 410 0.0013
6073 CA VAL 411 0.0012
6089 CA ALA 412 0.0016
6099 CA GLN 413 0.0016
6116 CA LEU 414 0.0014
6135 CA ALA 415 0.0018
6145 CA GLY 416 0.0024
6152 CA ARG+ 417 0.0024
6176 CA LEU 418 0.0019
6195 CA ALA 419 0.0028
6205 CA ALA 420 0.0039
6215 CA GLN 421 0.0037
6232 CA GLY 422 0.0041
6239 CA ALA 423 0.0029
6249 CA ARG+ 424 0.0022
6273 CA VAL 425 0.0016
6289 CA TYR 426 0.0015
6310 CA ALA 427 0.0012
6320 CA TYR 428 0.0010
6341 CA VAL 429 0.0011
6357 CA PHE 430 0.0012
6377 CA GLU- 431 0.0015
6392 CA HIS 432 0.0017
6409 CA ARG+ 433 0.0017
6433 CA ALA 434 0.0017
6443 CA SER 435 0.0023
6454 CA THR 436 0.0020
6468 CA LEU 437 0.0018
6487 CA SER 438 0.0024
6498 CA TRP 439 0.0022
6530 CA PRO 440 0.0025
6536 CA LEU 441 0.0033
6555 CA TRP 442 0.0020
6579 CA MET 443 0.0017
6596 CA GLY 444 0.0022
6603 CA VAL 445 0.0012
6627 CA PRO 446 0.0010
6633 CA HIS 447 0.0010
6650 CA GLY 448 0.0010
6657 CA TYR 449 0.0009
6678 CA GLU- 450 0.0008
6693 CA ILE 451 0.0009
6712 CA GLU- 452 0.0009
6727 CA PHE 453 0.0010
6747 CA ILE 454 0.0008
6766 CA PHE 455 0.0008
6786 CA GLY 456 0.0010
6793 CA ILE 457 0.0015
6820 CA PRO 458 0.0017
6826 CA LEU 459 0.0021
6845 CA ASP- 460 0.0039
6865 CA PRO 461 0.0087
6871 CA SER 462 0.0120
6882 CA ARG+ 463 0.0037
6906 CA ASN 464 0.0039
6920 CA TYR 465 0.0032
6941 CA THR 466 0.0071
6955 CA ALA 467 0.0078
6965 CA GLU- 468 0.0066
6980 CA GLU- 469 0.0028
6995 CA LYS+ 470 0.0030
7017 CA ILE 471 0.0041
7036 CA PHE 472 0.0020
7056 CA ALA 473 0.0018
7066 CA GLN 474 0.0024
7083 CA ARG+ 475 0.0015
7107 CA LEU 476 0.0012
7126 CA MET 477 0.0013
7143 CA ARG+ 478 0.0013
7167 CA TYR 479 0.0011
7188 CA TRP 480 0.0010
7212 CA ALA 481 0.0013
7222 CA ASN 482 0.0014
7236 CA PHE 483 0.0012
7256 CA ALA 484 0.0012
7266 CA ARG+ 485 0.0015
7290 CA THR 486 0.0018
7304 CA GLY 487 0.0018
7311 CA ASP- 488 0.0017
7331 CA PRO 489 0.0016
7337 CA ASN 490 0.0030
7351 CA GLU- 491 0.0071
7374 CA PRO 492 0.0145
7380 CA ARG+ 493 0.0108
7404 CA ASP- 494 0.0187
7427 CA PRO 498 0.0058
7433 CA GLN 499 0.0037
7450 CA TRP 500 0.0025
7482 CA PRO 501 0.0029
7496 CA PRO 502 0.0026
7502 CA TYR 503 0.0023
7523 CA THR 504 0.0049
7537 CA ALA 505 0.0090
7547 CA GLY 506 0.0113
7554 CA ALA 507 0.0061
7564 CA GLN 508 0.0045
7581 CA GLN 509 0.0034
7598 CA TYR 510 0.0020
7619 CA VAL 511 0.0018
7635 CA SER 512 0.0020
7646 CA LEU 513 0.0016
7665 CA ASP- 514 0.0022
7677 CA LEU 515 0.0032
7696 CA ARG+ 516 0.0059
7728 CA PRO 517 0.0053
7734 CA LEU 518 0.0034
7753 CA GLU- 519 0.0037
7768 CA VAL 520 0.0037
7784 CA ARG+ 521 0.0039
7808 CA ARG+ 522 0.0039
7832 CA GLY 523 0.0032
7839 CA LEU 524 0.0021
7858 CA ARG+ 525 0.0017
7882 CA ALA 526 0.0025
7892 CA GLN 527 0.0025
7909 CA ALA 528 0.0023
7919 CA CYS 529 0.0020
7930 CA ALA 530 0.0031
7940 CA PHE 531 0.0032
7960 CA TRP 532 0.0024
7984 CA ASN 533 0.0032
7998 CA ARG+ 534 0.0054
8022 CA PHE 535 0.0082
8042 CA LEU 536 0.0068
8069 CA PRO 537 0.0175
8075 CA LYS+ 538 0.0196
8097 CA LEU 539 0.0138
8116 CA LEU 540 0.0296
8135 CA SER 541 0.0505
8146 CA ALA 542 0.0894
If you find results from this site helpful for your research, please cite one of our papers:
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.