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

* TRANSCRIPTION/DNA 23-JUN-16 5KL2 *

B-factor analysis for ID 2402291147081064783

Overall B-factor prediction

Correlation= 0.783 for 89 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 GLU 350 0.0539 52.5492 53.9900
16 CA LYS 351 0.0126 25.5759 34.0400
38 CA PRO 352 0.0153 27.3474 33.7700
52 CA TYR 353 0.0080 22.5668 22.9800
73 CA GLN 354 0.0096 23.5857 35.2900
90 CA CYS 355 0.0074 22.1709 24.6300
100 CA ASP 356 0.0204 30.6803 24.7500
112 CA PHE 357 0.0179 29.0004 26.3400
132 CA LYS 358 0.0618 57.7320 30.3100
154 CA ASP 359 0.0781 68.3964 26.6000
166 CA CYS 360 0.0210 31.0285 21.8100
176 CA GLU 361 0.0233 32.5272 29.5200
191 CA ARG 362 0.0073 22.1216 24.9800
215 CA ARG 363 0.0076 22.2910 32.6000
239 CA PHE 364 0.0047 20.3795 18.8200
259 CA SER 365 0.0077 22.3547 26.2800
270 CA ARG 366 0.0053 20.8005 23.4700
294 CA SER 367 0.0057 21.0204 20.5600
305 CA ASP 368 0.0036 19.7109 20.1400
317 CA GLN 369 0.0024 18.8946 18.1700
334 CA LEU 370 0.0031 19.3721 15.4100
353 CA LYS 371 0.0036 19.6632 15.4400
375 CA ARG 372 0.0021 18.7069 16.8800
399 CA HIS 373 0.0026 19.0541 16.4300
416 CA GLN 374 0.0040 19.9727 20.3500
433 CA ARG 375 0.0045 20.2759 17.5800
434 CA ARG 375 0.0045 20.2940 17.1400
478 CA ARG 376 0.0054 20.8720 17.2700
502 CA HIS 377 0.0111 24.5489 20.5200
519 CA THR 378 0.0152 27.2917 24.7800
533 CA GLY 379 0.0133 26.0181 34.6800
540 CA VAL 380 0.0091 23.2848 27.7800
556 CA LYS 381 0.0052 20.7061 20.1200
578 CA PRO 382 0.0059 21.1615 23.6500
592 CA PHE 383 0.0042 20.0438 22.6200
612 CA GLN 384 0.0072 22.0265 21.3900
629 CA CYS 385 0.0066 21.6215 21.2800
639 CA LYS 386 0.0199 30.3443 28.9900
661 CA THR 387 0.0194 30.0364 33.9600
675 CA CYS 388 0.0155 27.4588 29.5100
685 CA GLN 389 0.0138 26.3461 30.9900
702 CA ARG 390 0.0065 21.5482 32.5400
726 CA LYS 391 0.0057 21.0835 22.9600
748 CA PHE 392 0.0030 19.3011 18.7900
768 CA SER 393 0.0031 19.3344 21.4400
779 CA ARG 394 0.0025 18.9663 18.6000
803 CA SER 395 0.0032 19.4025 19.1700
814 CA ASP 396 0.0028 19.1417 19.6400
826 CA HIS 397 0.0024 18.8644 16.0100
843 CA LEU 398 0.0030 19.3072 14.7900
862 CA LYS 399 0.0036 19.6948 14.3700
884 CA THR 400 0.0027 19.1090 15.4500
898 CA HIS 401 0.0031 19.3434 14.5900
915 CA THR 402 0.0044 20.2208 16.1500
929 CA ARG 403 0.0047 20.4283 20.7300
953 CA THR 404 0.0056 20.9963 25.9300
967 CA HIS 405 0.0136 26.1891 20.5700
984 CA THR 406 0.0199 30.3564 22.0300
998 CA GLY 407 0.0156 27.5446 30.6700
1005 CA GLU 408 0.0116 24.9147 29.6400
1020 CA LYS 409 0.0066 21.6351 23.3700
1042 CA PRO 410 0.0072 22.0586 25.9000
1056 CA PHE 411 0.0047 20.3683 19.3700
1076 CA SER 412 0.0085 22.8950 31.8900
1087 CA CYS 413 0.0080 22.5869 21.5500
1097 CA ARG 414 0.0194 30.0374 25.7900
1121 CA TRP 415 0.0218 31.5601 31.7400
1145 CA PRO 416 0.0571 54.6223 44.7600
1159 CA SER 417 0.0739 65.6519 71.8900
1170 CA CYS 418 0.0231 32.4049 30.3900
1180 CA GLN 419 0.0273 35.1563 36.2400
1197 CA LYS 420 0.0121 25.2268 25.3200
1219 CA LYS 421 0.0072 22.0325 22.2400
1241 CA PHE 422 0.0038 19.8331 19.2300
1261 CA ALA 423 0.0035 19.5957 20.2200
1271 CA ARG 424 0.0029 19.2342 21.9400
1295 CA SER 425 0.0036 19.6921 20.0200
1306 CA ASP 426 0.0034 19.5246 17.7200
1318 CA GLU 427 0.0029 19.2313 17.6300
1333 CA LEU 428 0.0037 19.7364 18.5100
1352 CA VAL 429 0.0055 20.9154 19.0600
1368 CA ARG 430 0.0065 21.5589 21.9200
1392 CA HIS 431 0.0059 21.2007 29.2500
1409 CA HIS 432 0.0085 22.9017 23.6000
1426 CA ASN 433 0.0163 27.9591 32.0500
1440 CA MET 434 0.0182 29.2172 40.7700
1457 CA HIS 435 0.0210 31.0338 39.3400
1474 CA GLN 436 0.0454 47.0104 81.3500
1491 CA ARG 437 0.1144 92.0796 79.5900

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.