Project name: Mutant_aggregation

Status: done

submitted: 2018-12-10 12:17:53, status changed: 2018-12-10 12:37:53
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Chain sequence(s) A: LPEARKLLGLAYPERRRLAAAVGFLTMSSVISMSAPFFLGKIIDVIYYTNPTVDYSDNLTRLCLGLSAVFLCGAAANAIRVYLMQTSGQRIVNRLRTSLFSSILRQEVAFFDKTRTGELINRLSSDTALLGRSVTENLSDGLRAGAQASVGISMMFFVSPNLATFVLSVVPPVSIIAVIYGRYLRKLTKVTQDSLAQATQLAEERIGNVRTVRAFGKEMTEIEKYASKVDHVMQLARKEAFARAGFFGATGLSGNLIVLSVLYKGGLLMGSAHMTVGELSSFLMYAFWVGISIGGLSSFYSELMKGLGAGGRLWELLEREPKLPFNEGVILNEKSFQGALEFKNVHFAYPARPEVPIFQDFSLSIPSGSVTALVGPSGSGKSTVLSLLLRLYDPASGTISLDGHDIRQLNPVWLRSKIGTVSQEPILFSCSIAENIAYGADDPSSVTAEEIQRVAEVANAVAFIRNFPQGFNTVVGEKGVLLSGGQKQRIAIARALLKNPKILLLDEATSALDAENEYLVQEALDRLMDGRTVLVIAHRLSTIKNANMVAVLDQGKITEYGKHEELLSKPNG
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues RA357C
Energy difference between WT (input) and mutated protein (by FoldX) 0.246203 kcal/mol

Changes in protein stability upon mutation are calculated using the FoldX forcefield. Computational prediction of protein stability is used with the intention of preventing the experimental characterization of proteins bearing mutations that significantly destabilize their structure. Mutations resulting in a predicted reduction in protein stability ≥ 1 kcal/mol are considered disruptive.

Show buried residues

Minimal score value
-2.3544
Maximal score value
2.4501
Average score
-0.1546
Total score value
-88.2513

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan3D score mutation
residue index residue name chain Aggrescan3D score
mutation
154 L A 1.5033
155 P A -0.2179
156 E A -1.3282
157 A A -0.5124
158 R A -1.9905
159 K A -1.1588
160 L A 0.2791
161 L A 1.3288
162 G A 0.1163
163 L A 0.0000
164 A A 0.1899
165 Y A 0.7886
166 P A 0.0641
167 E A 0.0000
168 R A -2.0568
169 R A -2.2552
170 R A -0.8291
171 L A 0.0000
172 A A 0.1167
173 A A 0.0369
174 A A 0.0000
175 V A 0.4514
176 G A -0.1119
177 F A 0.5759
178 L A 0.0000
179 T A -0.0121
180 M A 0.2860
181 S A 0.0229
182 S A 0.0000
183 V A 1.8015
184 I A 1.3873
185 S A 0.1340
186 M A 0.0000
187 S A -0.1822
188 A A 0.0197
189 P A 0.0000
190 F A 1.2770
191 F A 1.6026
192 L A 1.0808
193 G A 0.0000
194 K A -1.4165
195 I A 0.3518
196 I A 0.4506
197 D A -0.1509
198 V A 0.9675
199 I A 1.5524
200 Y A 1.5108
201 T A 0.0823
202 N A -0.5159
203 P A -0.3479
204 T A 0.1345
205 V A 1.0781
206 D A -1.5004
207 Y A -0.1488
208 S A -0.4169
209 D A -1.6097
210 N A -1.3096
211 L A 0.8996
212 T A -0.1832
213 R A -1.7729
214 L A 0.1982
215 C A 0.9572
216 L A 1.5955
217 G A 0.1945
218 L A 0.7983
219 S A 0.0181
220 A A 0.4359
221 V A 1.7912
222 F A 2.4501
223 L A 2.0272
224 C A 0.9935
225 G A 0.3006
226 A A 0.0519
227 A A 0.0463
228 A A 0.0000
229 N A -0.5946
230 A A 0.1713
231 I A 1.1731
232 R A 0.0919
233 V A 1.2017
234 Y A 1.3627
235 L A 0.3643
236 M A 0.0000
237 Q A -1.2013
238 T A -0.3584
239 S A 0.0000
240 G A 0.0000
241 Q A -1.5167
242 R A -1.9833
243 I A 0.0000
244 V A -0.0002
245 N A -1.3577
246 R A -0.9190
247 L A 0.0000
248 R A -1.5573
249 T A -0.3639
250 S A -0.1133
251 L A 0.0000
252 F A 1.6179
253 S A 0.2395
254 S A -0.0294
255 I A 0.0000
256 L A 1.3099
257 R A -0.8226
258 Q A 0.0000
259 E A 0.0000
260 V A 0.6232
261 A A -0.0109
262 F A 0.0000
263 F A 0.6450
264 D A -1.3183
265 K A -1.9124
266 T A -0.5583
267 R A -1.8590
268 T A -0.4682
269 G A -0.5246
270 E A -0.9223
271 L A 0.0000
272 I A 0.9626
273 N A -1.1709
274 R A -0.4280
275 L A 0.0000
276 S A -0.2264
277 S A -0.2469
278 D A 0.0000
279 T A 0.0000
280 A A 0.0657
281 L A 0.2887
282 L A 0.0000
283 G A 0.0000
284 R A -1.3605
285 S A 0.0000
286 V A 0.0000
287 T A 0.0000
288 E A -0.8510
289 N A 0.0000
290 L A 0.4793
291 S A 0.0000
292 D A -1.7894
293 G A 0.0000
294 L A 0.4062
295 R A -1.2197
296 A A 0.0000
297 G A -0.1257
298 A A 0.0005
299 Q A 0.0000
300 A A -0.0138
301 S A -0.1125
302 V A 0.4946
303 G A 0.0000
304 I A 0.5616
305 S A 0.0002
306 M A 0.3233
307 M A 0.0000
308 F A 1.0292
309 F A 2.1253
310 V A 0.5691
311 S A 0.0000
312 P A -0.3810
313 N A -1.3182
314 L A 0.0000
315 A A 0.0000
316 T A 0.1035
317 F A 0.4775
318 V A 0.4309
319 L A 0.8793
320 S A 0.0042
321 V A 0.4267
322 V A 0.8315
323 P A -0.0965
324 P A -0.0993
325 V A 0.6312
326 S A 0.2847
327 I A 1.9533
328 I A 2.3017
329 A A 0.5908
330 V A 1.5574
331 I A 1.8927
332 Y A 0.6637
333 G A 0.0000
334 R A -1.6784
335 Y A 0.5920
336 L A 0.0000
337 R A -2.1482
338 K A -2.0299
339 L A 0.0000
340 T A -0.3152
341 K A -1.6394
342 V A 0.5006
343 T A 0.0000
344 Q A -1.2286
345 D A -1.9350
346 S A -0.2549
347 L A 0.4411
348 A A -0.0653
349 Q A -1.1648
350 A A 0.0000
351 T A -0.2297
352 Q A -1.0392
353 L A 0.0094
354 A A -0.2820
355 E A -2.1463
356 E A -2.1247
357 C A 0.1589 mutated: RA357C
358 I A 1.9646
359 G A -0.2112
360 N A -0.9329
361 V A 0.4314
362 R A -1.6890
363 T A -0.3460
364 V A -0.0460
365 R A -1.8551
366 A A 0.0718
367 F A 1.8686
368 G A -0.5175
369 K A -1.3377
370 E A -1.2132
371 M A 0.8267
372 T A -0.0317
373 E A -0.1975
374 I A 1.6193
375 E A -1.7268
376 K A -1.7936
377 Y A 0.2158
378 A A -0.1209
379 S A -0.3132
380 K A -0.5636
381 V A -0.1026
382 D A -1.8434
383 H A -0.9457
384 V A 0.0000
385 M A 0.4090
386 Q A -1.0514
387 L A -0.0184
388 A A -0.2274
389 R A -1.9770
390 K A -1.4839
391 E A -0.3914
392 A A 0.2839
393 F A 1.9486
394 A A 0.2343
395 R A -0.6249
396 A A -0.1232
397 G A -0.2804
398 F A 0.4927
399 F A 1.9049
400 G A -0.1061
401 A A -0.0631
402 T A -0.0873
403 G A 0.0285
404 L A 1.4966
405 S A 0.1875
406 G A -0.5172
407 N A -1.0944
408 L A 1.2553
409 I A 0.6430
410 V A 0.9935
411 L A 1.6045
412 S A 0.2017
413 V A 0.0000
414 L A 1.0706
415 Y A 1.3359
416 K A -0.3938
417 G A 0.0000
418 G A 0.2051
419 L A 1.3342
420 L A 0.4591
421 M A 0.2287
422 G A -0.4540
423 S A -0.2675
424 A A -0.1562
425 H A -0.9796
426 M A 0.0000
427 T A 0.0593
428 V A 0.5207
429 G A 0.0000
430 E A -0.8032
431 L A 0.0000
432 S A -0.0358
433 S A 0.0000
434 F A 0.0000
435 L A 0.2330
436 M A 0.2520
437 Y A 0.0000
438 A A 0.3346
439 F A 1.7342
440 W A 0.5438
441 V A 0.1231
442 G A -0.0745
443 I A 1.9289
444 S A 0.0000
445 I A 1.7808
446 G A 0.0049
447 G A -0.1174
448 L A 0.2128
449 S A -0.2162
450 S A -0.1686
451 F A 0.4809
452 Y A 1.3662
453 S A -0.1052
454 E A -1.0865
455 L A 0.4975
456 M A 0.8425
457 K A -1.4353
458 G A 0.0000
459 L A 0.3723
460 G A -0.1444
461 A A 0.0000
462 G A 0.0000
463 G A -0.5757
464 R A -0.7992
465 L A 0.0000
466 W A -0.1311
467 E A -1.7913
468 L A 0.0000
469 L A -0.0043
470 E A -1.8491
471 R A -1.1281
472 E A -1.9135
473 P A -0.6760
474 K A -1.6678
475 L A -0.0831
476 P A 0.1699
477 F A 0.7682
478 N A -1.4210
479 E A -2.0918
480 G A -0.3188
481 V A 1.6569
482 I A 2.2813
483 L A 0.2943
484 N A -1.5696
485 E A -2.3544
486 K A -2.0628
487 S A -0.4441
488 F A 0.0477
489 Q A -1.1447
490 G A 0.0000
491 A A -0.0340
492 L A 0.0000
493 E A -1.3661
494 F A 0.0000
495 K A -1.6578
496 N A -1.2001
497 V A 0.0000
498 H A -0.5369
499 F A 0.0000
500 A A 0.0434
501 Y A 0.2823
502 P A 0.0049
503 A A -0.2451
504 R A -1.6960
505 P A -0.8747
506 E A -1.7017
507 V A 0.5660
508 P A 0.0385
509 I A 0.1720
510 F A 0.0000
511 Q A -1.4377
512 D A -1.5251
513 F A 0.0000
514 S A -0.3012
515 L A 0.0000
516 S A -0.2793
517 I A 0.0000
518 P A -0.1021
519 S A -0.1474
520 G A -0.4799
521 S A -0.0701
522 V A 0.2250
523 T A 0.0000
524 A A 0.0000
525 L A 0.0000
526 V A 0.4270
527 G A -0.0515
528 P A -0.2573
529 S A -0.3345
530 G A -0.5100
531 S A -0.1212
532 G A -0.0699
533 K A 0.0000
534 S A -0.1928
535 T A 0.0000
536 V A 0.0000
537 L A 0.1468
538 S A 0.0048
539 L A 0.0000
540 L A 0.0000
541 L A 0.2061
542 R A 0.0000
543 L A 0.4679
544 Y A 0.1333
545 D A -0.4366
546 P A -0.1069
547 A A 0.0238
548 S A -0.2302
549 G A -0.3523
550 T A -0.0549
551 I A 0.0000
552 S A -0.0939
553 L A 0.0000
554 D A -0.4039
555 G A -0.5828
556 H A -0.4539
557 D A -0.2955
558 I A 0.0000
559 R A -1.9912
560 Q A -1.5147
561 L A 0.0000
562 N A 0.0000
563 P A 0.0000
564 V A 1.3291
565 W A 0.3762
566 L A 0.0000
567 R A -0.4743
568 S A -0.1950
569 K A -0.3701
570 I A 0.0000
571 G A 0.0000
572 T A -0.0335
573 V A 0.0000
574 S A -0.2079
575 Q A -0.9274
576 E A -1.9242
577 P A 0.0000
578 I A 2.0126
579 L A 0.0000
580 F A 1.6525
581 S A 0.2267
582 C A 0.1053
583 S A 0.0478
584 I A 0.0000
585 A A -0.2977
586 E A -1.7169
587 N A 0.0000
588 I A 0.0000
589 A A 0.0000
590 Y A 0.6660
591 G A -0.0370
592 A A -0.3787
593 D A -2.0537
594 D A -1.8336
595 P A -0.4357
596 S A -0.2748
597 S A -0.2054
598 V A 0.2127
599 T A 0.0166
600 A A -0.2732
601 E A -2.0024
602 E A -1.3674
603 I A -0.1928
604 Q A -1.3923
605 R A -2.0402
606 V A 0.0000
607 A A 0.0000
608 E A -1.7664
609 V A -0.0179
610 A A 0.0000
611 N A -0.1660
612 A A 0.0000
613 V A 0.2274
614 A A 0.1364
615 F A 0.0915
616 I A 0.0000
617 R A -2.0805
618 N A -1.5215
619 F A 0.0427
620 P A -0.3884
621 Q A -1.1149
622 G A -0.4035
623 F A 0.0535
624 N A -1.2237
625 T A 0.0000
626 V A 1.2927
627 V A 0.0000
628 G A -0.2422
629 E A -2.1405
630 K A -2.0507
631 G A -0.2688
632 V A 1.1900
633 L A 1.7166
634 L A 0.0000
635 S A -0.1779
636 G A -0.4833
637 G A 0.0000
638 Q A -0.2622
639 K A -0.4988
640 Q A -0.2080
641 R A 0.0000
642 I A 0.0000
643 A A 0.0000
644 I A 0.0000
645 A A 0.0000
646 R A -0.2814
647 A A 0.0000
648 L A 0.0000
649 L A 0.0985
650 K A -0.7473
651 N A -1.3704
652 P A 0.0000
653 K A -0.5517
654 I A 0.0000
655 L A 0.0000
656 L A 0.0000
657 L A 0.0000
658 D A 0.0000
659 E A -0.2222
660 A A -0.0352
661 T A -0.0950
662 S A -0.2154
663 A A 0.0897
664 L A 0.1525
665 D A -1.6980
666 A A -0.5808
667 E A -1.8341
668 N A -0.5932
669 E A -0.5410
670 Y A 1.2709
671 L A 0.7328
672 V A 0.0000
673 Q A -1.2485
674 E A -0.9502
675 A A 0.0000
676 L A -0.1298
677 D A -1.9105
678 R A -1.1952
679 L A 0.0000
680 M A -0.1341
681 D A -1.8408
682 G A -0.7930
683 R A 0.0000
684 T A 0.0000
685 V A 0.0000
686 L A 0.0000
687 V A 0.0000
688 I A 0.0000
689 A A 0.0000
690 H A -0.5166
691 R A -1.0897
692 L A 1.2762
693 S A 0.0614
694 T A -0.0136
695 I A -0.0898
696 K A -1.7939
697 N A -1.5554
698 A A 0.0000
699 N A -1.2500
700 M A -0.1516
701 V A 0.0000
702 A A 0.0000
703 V A 0.3379
704 L A 0.0000
705 D A -1.1785
706 Q A -1.3718
707 G A 0.0000
708 K A -0.6946
709 I A 0.1187
710 T A -0.2494
711 E A -1.2562
712 Y A 0.6342
713 G A 0.0258
714 K A -0.4227
715 H A 0.0000
716 E A -2.1440
717 E A -2.1007
718 L A 0.1955
719 L A 1.5530
720 S A -0.2388
721 K A -1.7826
722 P A -0.7791
723 N A -1.4030
724 G A -0.6973

 

Laboratory of Theory of Biopolymers 2015