Project name: b40050eff981c96

Status: done

Started: 2026-04-11 14:41:04
Settings
Chain sequence(s) A: KTKKTASKIAGLKSTLVVGKDVYMTSFGRGNEAVIEQKIATSDAFKITAIPAEPSLDVTNADEIKIAFSSNRPFVDNKDLSTANPFHSSPEAKKPKSVGGDMLSLKGELEKRYFGKTFDDNIHIQMIHNILDIEKIIAVYSTNISAAINHLIDGDDEQLLNEDFIGYMNTINTYEVFMDPSKNPTLKKTAVNNINSTRAKFETLLATNRLGYFGFEYLNKDKSYNEDEVKRIYHLIAFAGQLRQWSFHSYEGFPRTWLYNLEKLNGEYLDTLDFYFDKRFEDINKDFVTQNSVNLYILKETFPDHDFRELADLYHDFIVVKSYKNMGFSIKKLREKMLELEGTSRIKGTDMDSVRPKLYKLIDFCIFYDFHNDSSRSEDMVSRLRAATSDERKEMIYANEATYLWSKLGRTFLHFCDKINSWVKDDHIKEVEKYIDKDAYRTSSNVSYFSKLLYAMCFFLDGKEINDLLTTLINKFDNIGSFIETAKELGLDVTFSKEYTFFNDSKKYVTELNKVKNIARMQKPSARAKETMYLDALTVLGRPVGMGDEEFAKEYSDMVTKEKDPKTNKSKKGSTPFRNFIANNVIENRRFIYVIKFCNPENVRKLVNNTKVTEFVLKRMPEEQIDRYYKSCFDTELNPMTEIKIQKLAQKMKDMDFIDFRDVQQKSRDPEKNKEKERFKAVIGLYLTVVYRLVKNLADVNARYVIAFHSLERDYTLYEGGSIEKDYLKLTNMLCSEGENSRSQYLARNRHMRECVAQDINNAKNLRVKVYRDNVAHLTAVRRCDEFIDEITKIDSYFALYHYLIQRQLSKGLDPTRPNFEKNFPYFAQLFKWHTYVKDMVKALNSPFGYNVPRFKALTIDDLFDRNEPKKDG
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage No
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:11)
Show buried residues

Minimal score value
-5.2801
Maximal score value
2.0582
Average score
-1.0196
Total score value
-890.1441

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
52 K A -3.1537
53 T A -2.6438
54 K A -2.8634
55 K A -2.4109
56 T A -1.2701
57 A A -0.7867
58 S A -0.8298
59 K A -1.4831
60 I A 0.0000
61 A A 0.0000
62 G A -0.8235
63 L A 0.0000
64 K A -0.6233
65 S A -0.1973
66 T A -0.1184
67 L A 0.0000
68 V A 0.0000
69 V A -1.1756
70 G A -1.8611
71 K A -2.3299
72 D A -1.2331
73 V A 0.0000
74 Y A 0.0567
75 M A 0.0000
76 T A 0.0000
77 S A 0.0000
78 F A -0.7984
79 G A -1.5139
80 R A -2.9263
81 G A -2.3437
82 N A -2.2020
83 E A -2.7954
84 A A -1.2011
85 V A -0.0041
86 I A 0.5210
87 E A 0.0000
88 Q A 0.0000
89 K A 0.4423
90 I A 0.0000
91 A A -0.5243
92 T A -1.6048
93 S A -1.6717
94 D A -2.0687
95 A A -1.0297
96 F A 0.9465
97 K A 0.5250
98 I A 2.0034
99 T A 0.7312
100 A A 1.0095
101 I A 2.0582
102 P A 0.5095
103 A A -0.1484
104 E A -1.7837
105 P A -1.2342
106 S A -1.5697
107 L A 0.0000
108 D A -2.9020
109 V A 0.0000
110 T A -1.4546
111 N A -2.0845
112 A A -2.1032
113 D A -3.0912
114 E A -2.6208
115 I A -0.6478
116 K A -2.2348
117 I A 0.0000
118 A A -1.8154
119 F A 0.0000
120 S A -2.6483
121 S A 0.0000
122 N A -3.2899
123 R A -3.0560
124 P A -2.4373
125 F A 0.0000
126 V A -1.0982
127 D A -2.9703
128 N A -3.7645
129 K A -3.3880
130 D A -3.0541
131 L A 0.0000
132 S A -1.3463
133 T A -0.5583
134 A A -0.7695
135 N A -1.0924
136 P A -0.4323
137 F A -0.8352
138 H A -1.5017
139 S A -1.5220
140 S A -0.8834
141 P A -1.4702
142 E A -2.6146
143 A A -2.2109
144 K A -3.0782
145 K A -2.9750
146 P A -2.1083
147 K A -2.8025
148 S A -1.9142
149 V A 0.0000
150 G A -1.5213
151 G A -1.3713
152 D A -0.7223
153 M A -0.2976
154 L A -0.2083
155 S A -0.7901
156 L A 0.0000
157 K A -0.9162
158 G A -1.4006
159 E A -1.5148
160 L A 0.0000
161 E A 0.0000
162 K A -2.4513
163 R A -1.9057
164 Y A 0.0000
165 F A 0.0000
166 G A -2.0468
167 K A -2.1897
168 T A -1.6226
169 F A -1.4091
170 D A -2.2774
171 D A 0.0000
172 N A -0.8302
173 I A 0.0000
174 H A 0.0000
175 I A 0.0000
176 Q A -0.6074
177 M A 0.0000
178 I A 0.0000
179 H A -0.8207
180 N A -0.9978
181 I A 0.0000
182 L A 0.0000
183 D A -0.8090
184 I A 0.0000
185 E A -0.4559
186 K A -0.4916
187 I A -0.2313
188 I A 0.0000
189 A A 0.0000
190 V A 0.0000
191 Y A 0.0000
192 S A 0.0000
193 T A 0.0000
194 N A 0.0000
195 I A 0.0000
196 S A 0.0000
197 A A 0.0000
198 A A 0.0000
199 I A 0.0000
200 N A -0.7516
201 H A -1.0591
202 L A 0.0000
203 I A 0.0000
204 D A -2.4965
205 G A -2.3873
206 D A -2.3732
207 D A -3.4171
208 E A -2.6546
209 Q A -1.0434
210 L A 1.2285
211 L A 1.3921
212 N A -0.1532
213 E A -0.6123
214 D A -0.4366
215 F A 0.0000
216 I A 0.0000
217 G A -0.6297
218 Y A -0.2926
219 M A 0.0000
220 N A 0.2709
221 T A 0.0000
222 I A 1.4689
223 N A 0.3708
224 T A -0.5583
225 Y A 0.0000
226 E A -2.0643
227 V A -0.8081
228 F A 0.0000
229 M A -0.9667
230 D A -1.5316
231 P A 0.0000
232 S A -1.8015
233 K A -2.1938
234 N A -1.7587
235 P A -1.1850
236 T A -0.8465
237 L A -1.4072
238 K A -2.6555
239 K A -2.8685
240 T A -1.8602
241 A A -1.5300
242 V A -1.9873
243 N A -2.2002
244 N A -1.4969
245 I A 0.0000
246 N A -1.1541
247 S A -0.8860
248 T A 0.0000
249 R A -1.0666
250 A A -0.7200
251 K A -0.8134
252 F A 0.0000
253 E A -1.0007
254 T A -0.9733
255 L A 0.0000
256 L A -0.2617
257 A A -0.5232
258 T A 0.0000
259 N A -1.0084
260 R A 0.0000
261 L A 0.0000
262 G A -0.9005
263 Y A 0.0000
264 F A 0.0000
265 G A -0.8683
266 F A 0.0000
267 E A -0.8198
268 Y A 0.1559
269 L A 0.4217
270 N A -1.5432
271 K A -2.6085
272 D A -2.6979
273 K A -3.1767
274 S A -2.0019
275 Y A -0.9752
276 N A -2.1161
277 E A -2.6567
278 D A -2.2740
279 E A 0.0000
280 V A -1.1608
281 K A -1.5785
282 R A -1.1357
283 I A 0.0000
284 Y A 0.0000
285 H A 0.0000
286 L A 0.0000
287 I A 0.0000
288 A A 0.0000
289 F A 0.0000
290 A A -0.1498
291 G A 0.0000
292 Q A 0.0000
293 L A 0.0000
294 R A -0.4208
295 Q A -0.3465
296 W A 0.0000
297 S A 0.0000
298 F A 0.2263
299 H A 0.1862
300 S A 0.2116
301 Y A 0.3827
302 E A -0.8623
303 G A 0.0347
304 F A 1.2696
305 P A 0.2738
306 R A -0.2981
307 T A -0.0822
308 W A -0.4334
309 L A 0.0000
310 Y A 0.0000
311 N A -1.0387
312 L A 0.0000
313 E A -2.0963
314 K A -2.2075
315 L A -1.1706
316 N A -1.7412
317 G A -1.8909
318 E A -1.5092
319 Y A 0.0000
320 L A -1.3030
321 D A -1.8199
322 T A 0.0000
323 L A 0.0000
324 D A -0.7799
325 F A -0.1375
326 Y A 0.0000
327 F A 0.0000
328 D A -1.8833
329 K A -2.7152
330 R A -2.0782
331 F A 0.0000
332 E A -3.8827
333 D A -3.6131
334 I A 0.0000
335 N A -2.4571
336 K A -3.3259
337 D A -2.8113
338 F A 0.0000
339 V A -1.2018
340 T A -1.5795
341 Q A -2.1465
342 N A -0.7286
343 S A -0.6037
344 V A 0.0000
345 N A 0.0000
346 L A 0.0000
347 Y A 0.1772
348 I A 0.0000
349 L A 0.0000
350 K A -1.3579
351 E A -1.6332
352 T A -1.2520
353 F A 0.0000
354 P A -1.6860
355 D A -2.3169
356 H A -2.1996
357 D A -2.3993
358 F A -0.9457
359 R A -2.5327
360 E A -2.7324
361 L A 0.0000
362 A A 0.0000
363 D A -2.0960
364 L A -1.2451
365 Y A 0.0000
366 H A -0.6273
367 D A -0.5424
368 F A 0.0000
369 I A 0.0277
370 V A 0.0000
371 V A -0.3721
372 K A -0.7156
373 S A -0.8445
374 Y A -1.0554
375 K A -2.0225
376 N A -2.1922
377 M A -1.4541
378 G A -1.6194
379 F A 0.0000
380 S A -1.3165
381 I A 0.0000
382 K A -2.3315
383 K A -1.6777
384 L A 0.0000
385 R A 0.0000
386 E A -1.8350
387 K A -1.4255
388 M A 0.0000
389 L A 0.0000
390 E A -2.3189
391 L A -1.0703
392 E A -1.9654
393 G A -1.4831
394 T A 0.0000
395 S A -1.9739
396 R A -2.3103
397 I A 0.0000
398 K A -2.5850
399 G A -2.1772
400 T A -2.0040
401 D A -3.1349
402 M A -2.7498
403 D A -2.7456
404 S A -2.0199
405 V A 0.0000
406 R A -1.6172
407 P A -0.9935
408 K A -0.7861
409 L A 0.0000
410 Y A -0.7762
411 K A -1.0785
412 L A 0.0000
413 I A 0.0000
414 D A 0.0000
415 F A 0.0000
416 C A 0.0000
417 I A 0.0000
418 F A 0.0000
419 Y A -0.4423
420 D A 0.0000
421 F A 0.0000
422 H A -1.5553
423 N A -2.1260
424 D A -1.6745
425 S A -1.6567
426 S A -1.6987
427 R A -1.8919
428 S A 0.0000
429 E A -2.5003
430 D A -2.3959
431 M A 0.0000
432 V A -1.4503
433 S A -1.6380
434 R A -1.7613
435 L A 0.0000
436 R A -1.1960
437 A A -1.0669
438 A A 0.0000
439 T A -2.2270
440 S A 0.0000
441 D A -4.0700
442 E A -3.8733
443 R A -3.3795
444 K A -2.7929
445 E A -2.2625
446 M A -1.0622
447 I A -1.1041
448 Y A 0.0000
449 A A -0.7320
450 N A -0.7951
451 E A 0.0000
452 A A 0.0000
453 T A 0.0283
454 Y A 0.5196
455 L A 0.0000
456 W A -0.2100
457 S A -0.4536
458 K A -0.8710
459 L A 0.0000
460 G A -1.1242
461 R A -2.1376
462 T A -1.1516
463 F A 0.0000
464 L A -0.8503
465 H A -0.9762
466 F A 0.0000
467 C A 0.0000
468 D A 0.0000
469 K A -1.6072
470 I A 0.5921
471 N A -0.9716
472 S A -0.7683
473 W A -1.0561
474 V A 0.0000
475 K A -3.6766
476 D A -4.1705
477 D A -4.1678
478 H A -3.2724
479 I A -3.1966
480 K A -4.6177
481 E A -4.3195
482 V A 0.0000
483 E A -3.2102
484 K A -2.3632
485 Y A 0.3306
486 I A -0.2851
487 D A -2.0223
488 K A -3.1211
489 D A -1.6912
490 A A -1.0017
491 Y A -0.0255
492 R A -0.9235
493 T A -1.0583
494 S A -1.2958
495 S A -1.1072
496 N A -1.5768
497 V A 0.0000
498 S A -0.6791
499 Y A -0.2849
500 F A 0.0000
501 S A 0.0000
502 K A 0.0000
503 L A 0.0000
504 L A 0.0000
505 Y A 0.0000
506 A A 0.0000
507 M A 0.0000
508 C A 0.0000
509 F A 0.0000
510 F A 0.0000
511 L A 0.0000
512 D A -1.4557
513 G A -1.7918
514 K A -2.3558
515 E A 0.0000
516 I A 0.0000
517 N A -1.7220
518 D A -1.7970
519 L A 0.0000
520 L A 0.0000
521 T A -0.8369
522 T A -0.8437
523 L A 0.0000
524 I A -0.9090
525 N A -1.6949
526 K A -1.2825
527 F A 0.0000
528 D A -2.1767
529 N A -1.7407
530 I A 0.0000
531 G A -2.2631
532 S A -1.7454
533 F A -0.9673
534 I A 0.0000
535 E A -3.0585
536 T A -1.6166
537 A A 0.0000
538 K A -2.7045
539 E A -2.2017
540 L A -0.2096
541 G A -1.0838
542 L A -0.7315
543 D A -1.6138
544 V A 0.0000
545 T A -1.0725
546 F A 0.0000
547 S A -1.5591
548 K A -1.9554
549 E A -1.2849
550 Y A -0.9364
551 T A -1.1860
552 F A 0.0000
553 F A 0.0000
554 N A -2.2983
555 D A -2.3809
556 S A 0.0000
557 K A -3.2983
558 K A -2.9885
559 Y A 0.0000
560 V A -1.5839
561 T A -1.2104
562 E A -1.1713
563 L A 0.0000
564 N A -0.8466
565 K A -0.4954
566 V A 0.0000
567 K A 0.0000
568 N A 0.0000
569 I A 0.0000
570 A A 0.0000
571 R A -1.3407
572 M A -0.8862
573 Q A -1.5592
574 K A -1.3891
575 P A -1.0608
576 S A -1.5322
577 A A -1.5719
578 R A -1.9442
579 A A -1.5136
580 K A -1.0506
581 E A -0.6753
582 T A -0.6230
583 M A 0.0000
584 Y A 0.0000
585 L A -0.1326
586 D A 0.0000
587 A A 0.0000
588 L A 0.0000
589 T A -0.1679
590 V A 0.0000
591 L A 0.0000
592 G A 0.0000
593 R A 0.2429
594 P A 0.6579
595 V A 1.5514
596 G A 0.1347
597 M A -0.2040
598 G A -1.4536
599 D A -2.6270
600 E A -2.5965
601 E A -1.4435
602 F A 0.6745
603 A A 0.1180
604 K A -0.1341
605 E A -0.0084
606 Y A 1.4502
607 S A 1.0125
608 D A 0.0000
609 M A 0.3641
610 V A 1.3897
611 T A 0.5734
612 K A 0.0000
613 E A -1.1501
614 K A -1.4702
615 D A -2.2218
616 P A -2.1328
617 K A -3.0526
618 T A -2.8164
619 N A -2.8654
620 K A -3.3286
621 S A -3.0071
622 K A -3.2274
623 K A -3.2520
624 G A -2.5304
625 S A -1.6489
626 T A -1.1041
627 P A -1.3289
628 F A -0.8831
629 R A -1.0007
630 N A -1.0602
631 F A 0.0000
632 I A 0.0000
633 A A -1.5348
634 N A -2.1474
635 N A -1.5660
636 V A 0.0000
637 I A 0.0000
638 E A -2.4036
639 N A -2.0826
640 R A -2.1173
641 R A -1.8962
642 F A 0.0000
643 I A -0.7515
644 Y A 0.0000
645 V A 0.0000
646 I A 0.0000
647 K A 0.0000
648 F A 0.0000
649 C A -0.4608
650 N A -0.9875
651 P A -0.7481
652 E A -1.0471
653 N A -1.7598
654 V A 0.0000
655 R A -1.4921
656 K A -2.3143
657 L A 0.0000
658 V A 0.0000
659 N A -2.1961
660 N A -1.7153
661 T A -1.5456
662 K A -2.0898
663 V A 0.0000
664 T A 0.0000
665 E A -2.0444
666 F A 0.0000
667 V A 0.0000
668 L A 0.0000
669 K A -2.8700
670 R A -1.8942
671 M A -1.5827
672 P A -2.2857
673 E A -3.9020
674 E A -3.6854
675 Q A -2.9139
676 I A 0.0000
677 D A -3.7427
678 R A -3.6803
679 Y A -2.0511
680 Y A 0.0000
681 K A -2.9446
682 S A -1.9802
683 C A 0.0000
684 F A -0.7448
685 D A -2.1830
686 T A -1.0912
687 E A -1.2171
688 L A 0.4156
689 N A -0.8546
690 P A -0.0067
691 M A 0.4508
692 T A -1.4499
693 E A -1.8159
694 I A -0.0829
695 K A 0.0000
696 I A 0.0000
697 Q A -1.7770
698 K A -1.2853
699 L A 0.0000
700 A A 0.0000
701 Q A -2.3814
702 K A -2.0079
703 M A 0.0000
704 K A -2.4855
705 D A -2.7599
706 M A 0.0000
707 D A -0.7555
708 F A 0.0000
709 I A 0.6486
710 D A -0.7778
711 F A 0.0000
712 R A -2.1653
713 D A -2.6005
714 V A 0.0000
715 Q A -2.7614
716 Q A -2.2797
717 K A -3.0315
718 S A -4.1606
719 R A -4.5331
720 D A -4.1679
721 P A -3.9585
722 E A -5.2011
723 K A -5.2801
724 N A -4.4356
725 K A -4.7536
726 E A -3.9996
727 K A -3.5424
728 E A -2.7620
729 R A -2.2861
730 F A -1.1789
731 K A -1.2916
732 A A -1.0122
733 V A 0.0000
734 I A 0.0000
735 G A -0.5432
736 L A 0.0000
737 Y A 0.0000
738 L A 0.0000
739 T A -0.5985
740 V A 0.0000
741 V A 0.0000
742 Y A 0.0000
743 R A -0.7909
744 L A 0.0000
745 V A 0.0000
746 K A -0.9890
747 N A -0.9845
748 L A 0.0000
749 A A 0.0000
750 D A -1.8629
751 V A 0.0000
752 N A 0.0000
753 A A -0.7792
754 R A -0.8650
755 Y A 0.0000
756 V A 0.0000
757 I A -0.0329
758 A A 0.0000
759 F A 0.0000
760 H A 0.0000
761 S A 0.0000
762 L A 0.0000
763 E A 0.0000
764 R A -0.1795
765 D A 0.0000
766 Y A 0.0000
767 T A -0.4874
768 L A 0.0000
769 Y A -1.0589
770 E A -1.9243
771 G A -1.1706
772 G A -1.2033
773 S A -1.4533
774 I A 0.0000
775 E A -1.8162
776 K A -2.2834
777 D A -1.9828
778 Y A 0.0000
779 L A 0.0000
780 K A -1.2778
781 L A 0.0000
782 T A 0.0000
783 N A -1.3028
784 M A -0.6636
785 L A 0.0000
786 C A -1.5604
787 S A -1.2982
788 E A -2.5583
789 G A -2.9907
790 E A -3.5265
791 N A -3.0449
792 S A 0.0000
793 R A -2.5281
794 S A 0.0000
795 Q A -1.4421
796 Y A -0.9105
797 L A 0.0000
798 A A -2.7870
799 R A -2.8849
800 N A -3.1162
801 R A -3.8151
802 H A -2.8888
803 M A -2.0873
804 R A -2.7239
805 E A -3.0210
806 C A -1.7140
807 V A 0.0000
808 A A -1.9017
809 Q A -2.3795
810 D A 0.0000
811 I A 0.0000
812 N A -2.1869
813 N A -1.9602
814 A A -1.4462
815 K A -1.2784
816 N A -1.7045
817 L A -0.7628
818 R A 0.0000
819 V A 0.0000
820 K A -1.4274
821 V A -0.3272
822 Y A 0.0000
823 R A 0.0000
824 D A -1.1398
825 N A 0.0000
826 V A 0.0000
827 A A -0.4398
828 H A -0.7739
829 L A 0.0000
830 T A -0.6450
831 A A 0.0000
832 V A 0.0000
833 R A -1.4861
834 R A -1.9117
835 C A 0.0000
836 D A -2.4830
837 E A -2.9788
838 F A 0.0000
839 I A 0.0000
840 D A -3.0596
841 E A -2.1836
842 I A 0.0000
843 T A -1.5978
844 K A -2.4439
845 I A 0.0000
846 D A -2.2706
847 S A -1.0702
848 Y A 0.0000
849 F A 0.0000
850 A A -0.7388
851 L A 0.0000
852 Y A 0.0000
853 H A 0.0000
854 Y A 0.0000
855 L A 0.0000
856 I A 0.0000
857 Q A 0.0000
858 R A -0.6210
859 Q A -0.8368
860 L A 0.0000
861 S A -0.6040
862 K A -1.3175
863 G A -1.7931
864 L A -0.8178
865 D A -2.0200
866 P A -1.2841
867 T A -1.2719
868 R A -2.2887
869 P A -2.1251
870 N A -1.8590
871 F A -0.1996
872 E A -1.3881
873 K A -2.4340
874 N A -2.2496
875 F A 0.0000
876 P A -0.7700
877 Y A -0.0864
878 F A 0.2934
879 A A 0.0230
880 Q A -0.4347
881 L A 0.0000
882 F A 1.0125
883 K A -0.6650
884 W A 0.4718
885 H A -0.5832
886 T A -0.4624
887 Y A -0.1118
888 V A -0.8583
889 K A -2.1685
890 D A -2.2205
891 M A 0.0000
892 V A 0.0000
893 K A -1.4666
894 A A 0.0000
895 L A 0.0000
896 N A 0.0000
897 S A 0.0000
898 P A 0.0000
899 F A 0.0000
900 G A 0.0000
901 Y A 0.0000
902 N A -0.1480
903 V A -0.2479
904 P A -0.3179
905 R A -0.4311
906 F A 0.0000
907 K A -0.4422
908 A A -0.4246
909 L A 0.0000
910 T A 0.0000
911 I A -0.2755
912 D A -1.0976
913 D A -2.0361
914 L A -0.5354
915 F A 0.0000
916 D A -2.4609
917 R A -3.3751
918 N A -3.0953
919 E A -3.5458
920 P A -3.4841
921 K A -4.3904
922 K A -3.9334
923 D A -3.6769
924 G A -2.8559
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Laboratory of Theory of Biopolymers 2018