Project name: a3d_wt

Status: done

Started: 2026-06-17 10:34:40
Settings
Chain sequence(s) A: MRLSTALNEYKRTRHERFPEERRTVSGSFSGHGDRLVHVGEDGTLKDYSDSLSGLSGIDRSRLGVMLGDETRWFSDLETIRQHYYRETRLVETEYDAGSFTVHQYDLTLGRAHVTHVAMRGAVPQDAKLVAFVTLAPDSSDSGVGSLIHEDAGPDNSRVLEVYHRREHDYLASSTGLDAVAGQRPERLAEILDDNPVPFPRSEPVERRDQTRLTGDFLVTAPLDRSGRSKDTTLVSQLSNHDEVDRETALLDLADCVTEHTTSDDLRQAGRERTRIDVAEAMPRSDSIRMDLRVLDLLSSPTGGRIAAPEFDPFYSNSGGYGYVWFRDDASVSRHLLEAGARLDIDTREMLTESTEFLCDSQLSDGRWPHRVWADTGAIAPGWANARVEHNAESPEYQADQSATVTAFLATVLRTHRGELDADLTATIRETIDAAVDTLIEDIAANDLPEPCQNVWEDSIGQFTHTTATFIEAFAAVARAPMGESVRERSLTAADRLLDGLDTLWDGDLGVYVMGLTNGTPDHRIDAAGLHLADALQEYDSVESATLSDQHLTRLADHVSTTLDTLFRNPTESRVAGLARYEGDRWRTGHQDSEKVWTVTTAMGALAAARVGDMLNDRDERGDAYLDRASDLYELLEDDGPLTTDAGYLAEQAFDDGDLDSATPLGWSHALRLHATARLGELNALPTTSAGTEGPSERPTWTTGEKYGIGTVADHDEQDPSRVWFTLTEGALTEARYPQVDLMNLRTLDFLVRCTDETDYAVRTHRENRRTDDSVRRRVEPVDDEALLYRHVFTETGDGQGHEWTLTVDYATDPEHDAIVADVSFSADDDKSYDVFSVADIALTSTVTEDRAIRYGQPGSYHLVGRNPRAYTDQTDNDLLVDENGDAYSIAVAMAAAGRFDWATVGAAGSDHLDGLYSDGDLPDPVESIDGTNLVLIGRLDSGTRVSDTVALGFARQADTAAALGEADGALDRGYETVRAEYADSWADFLSDKQLPDSVAGDEDLANQYRTALMTLLAVEDKTYHGASIASPSVPWGEAVHAEEPKGYGYNFVWSRDLYQVFSVFDAIGSLDIATDQLEYIYEYQQDDAGFIPQNTYVNGTTRWGGEQMDNISFPQVMAYRLAESGVDFDDVEYSYENVRRSAEYVVRHGPETAQERWEEEAGFSPSSIAAEIAGLACAAKLALDTGHEADALVWLALADQWANNVEAWTATETGTDRHTTTPYYTRVTLDGNPEMGHLRTLANDGPTLDERNIIDGGFLELVRLGIKPDDDETIRNSLVEVDDTISVDTEYAPGFYRYNGDGYGERGRDDQGAPWTVEHKGKGRLWPLLTGERAEYELHRDDPDITPENALRMMQDVANSGRMIAEQIWDRGHATEYDWEFAEGTGSATPLAWSMAQYVRLAHGISAGEPVETPAFVDDRYRERRAHTPDRSPALRVDTQFRGNELVVSGETTGVCVVVKTPADITYIPVDDREFEVAVDVDPGENQVIVAAADDEDLVTAGTTVWQLNL
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
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]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:23:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:23:50)
Show buried residues

Minimal score value
-4.5141
Maximal score value
1.5271
Average score
-0.8043
Total score value
-1215.312

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
1 M A 0.1792
2 R A 0.0000
3 L A 1.1258
4 S A 0.3502
5 T A 0.0000
6 A A 0.7186
7 L A 0.7573
8 N A 0.0000
9 E A -0.7327
10 Y A -0.9406
11 K A -1.9999
12 R A -2.7561
13 T A -2.1848
14 R A -2.1984
15 H A -2.4481
16 E A -2.8330
17 R A -1.7971
18 F A -0.9915
19 P A -1.5417
20 E A -0.6893
21 E A -0.3765
22 R A 0.0000
23 R A -0.4743
24 T A 0.0000
25 V A -0.2656
26 S A -0.7684
27 G A 0.0000
28 S A 0.0000
29 F A 0.0000
30 S A 0.0000
31 G A 0.0000
32 H A -0.6891
33 G A -0.7406
34 D A -0.8314
35 R A 0.0000
36 L A 0.0000
37 V A 0.0000
38 H A 0.0000
39 V A 0.0000
40 G A -0.9606
41 E A -1.9666
42 D A -2.1865
43 G A 0.0000
44 T A -0.7428
45 L A 0.0000
46 K A -0.3013
47 D A 0.0000
48 Y A 0.0000
49 S A 0.0000
50 D A -0.7787
51 S A 0.0000
52 L A 0.0000
53 S A -0.7767
54 G A -0.8834
55 L A 0.0000
56 S A -0.4021
57 G A 0.0000
58 I A 0.0000
59 D A 0.0000
60 R A 0.0000
61 S A 0.0000
62 R A -0.6445
63 L A 0.0000
64 G A 0.0000
65 V A 0.0000
66 M A -1.3310
67 L A -1.8195
68 G A -2.3672
69 D A -2.9557
70 E A -2.8321
71 T A -1.7554
72 R A -1.3890
73 W A -1.2349
74 F A 0.0000
75 S A -1.9869
76 D A -2.5061
77 L A -2.0138
78 E A -2.6617
79 T A -1.9349
80 I A -1.2146
81 R A -2.1252
82 Q A -1.5407
83 H A -1.2567
84 Y A -0.5839
85 Y A -1.0889
86 R A -2.5404
87 E A -2.4038
88 T A 0.0000
89 R A 0.0000
90 L A 0.0000
91 V A 0.0000
92 E A 0.0000
93 T A 0.0000
94 E A -1.2547
95 Y A 0.0000
96 D A -1.3242
97 A A 0.0000
98 G A -0.9115
99 S A -0.7874
100 F A 0.0000
101 T A -0.8962
102 V A 0.0000
103 H A -0.5808
104 Q A 0.0000
105 Y A 0.0000
106 D A 0.0000
107 L A 0.0000
108 T A 0.0000
109 L A -0.2378
110 G A -0.4870
111 R A -0.7703
112 A A 0.0000
113 H A 0.0000
114 V A 0.0000
115 T A 0.0000
116 H A 0.0000
117 V A 0.0000
118 A A 0.0000
119 M A 0.0000
120 R A -1.6681
121 G A -1.5464
122 A A -1.2405
123 V A -1.2032
124 P A -1.3832
125 Q A -2.3251
126 D A -2.6446
127 A A 0.0000
128 K A -1.1732
129 L A 0.0000
130 V A 0.0000
131 A A 0.0000
132 F A 0.0000
133 V A 0.0000
134 T A 0.0000
135 L A 0.0000
136 A A 0.0000
137 P A 0.0000
138 D A -1.3899
139 S A -0.5598
140 S A -1.1588
141 D A -1.8056
142 S A -1.0995
143 G A -0.8200
144 V A -0.5130
145 G A 0.0000
146 S A 0.4412
147 L A 0.7269
148 I A 0.1985
149 H A -1.2754
150 E A -2.9367
151 D A -3.6889
152 A A -2.0544
153 G A -1.9798
154 P A -1.9914
155 D A -2.8399
156 N A -3.5327
157 S A -2.8696
158 R A -2.3985
159 V A 0.0000
160 L A 0.0000
161 E A 0.0000
162 V A 0.0000
163 Y A -0.2632
164 H A -1.6277
165 R A -2.9797
166 R A -3.3518
167 E A 0.0000
168 H A 0.0000
169 D A 0.0000
170 Y A 0.0000
171 L A 0.0000
172 A A 0.0000
173 S A 0.0000
174 S A -0.7631
175 T A -0.8867
176 G A 0.0000
177 L A 0.0000
178 D A -1.1425
179 A A -0.3982
180 V A 0.1963
181 A A 0.0829
182 G A 0.0000
183 Q A 0.0000
184 R A -1.1918
185 P A -0.5708
186 E A -0.7086
187 R A -0.8119
188 L A 1.0697
189 A A 0.4668
190 E A -0.6577
191 I A 0.5142
192 L A 0.7784
193 D A -1.5661
194 D A -2.6800
195 N A -2.7051
196 P A -1.6518
197 V A 0.0000
198 P A -0.5422
199 F A 0.0000
200 P A -0.5087
201 R A -0.9415
202 S A -1.2315
203 E A -2.2692
204 P A -1.7245
205 V A -2.0589
206 E A -3.3064
207 R A -3.8797
208 R A -3.4237
209 D A -2.1803
210 Q A -1.8078
211 T A -1.6337
212 R A -1.2921
213 L A 0.4064
214 T A 0.0000
215 G A 0.0000
216 D A 0.0000
217 F A 0.0000
218 L A 0.2848
219 V A 0.0000
220 T A 0.0000
221 A A 0.0000
222 P A -1.2374
223 L A -1.7528
224 D A -2.8095
225 R A -3.1833
226 S A -1.8878
227 G A -1.8225
228 R A -2.1399
229 S A 0.0000
230 K A -2.1508
231 D A 0.0000
232 T A 0.0000
233 T A 0.0000
234 L A 0.0000
235 V A 0.0000
236 S A 0.0000
237 Q A 0.0000
238 L A 0.0000
239 S A 0.0000
240 N A -2.5566
241 H A -3.1537
242 D A -3.7069
243 E A -3.2536
244 V A -2.4510
245 D A -3.2854
246 R A -2.2564
247 E A -2.4463
248 T A -1.5189
249 A A 0.0000
250 L A 0.0000
251 L A -0.3379
252 D A -1.9804
253 L A 0.0000
254 A A -1.3148
255 D A -2.4640
256 C A -1.6405
257 V A 0.0000
258 T A -1.7523
259 E A -2.4172
260 H A 0.0000
261 T A -1.1016
262 T A -1.1397
263 S A -1.3483
264 D A -2.5121
265 D A -2.3708
266 L A 0.0000
267 R A -2.5430
268 Q A -2.9894
269 A A 0.0000
270 G A 0.0000
271 R A -3.5315
272 E A -3.2071
273 R A -2.2589
274 T A -2.1543
275 R A -2.3821
276 I A -1.9094
277 D A -2.6631
278 V A 0.0000
279 A A -1.5807
280 E A -2.3129
281 A A -0.8540
282 M A -0.8046
283 P A -0.8568
284 R A -1.3938
285 S A -1.6779
286 D A -2.8097
287 S A 0.0000
288 I A 0.0000
289 R A -1.8400
290 M A 0.0000
291 D A 0.0000
292 L A 0.0000
293 R A 0.0000
294 V A 0.0000
295 L A 0.0000
296 D A -0.4431
297 L A 0.0000
298 L A 0.0000
299 S A -0.3943
300 S A 0.0000
301 P A -0.6285
302 T A -0.6894
303 G A 0.0000
304 G A 0.0000
305 R A 0.0000
306 I A 0.0000
307 A A 0.0000
308 A A 0.0000
309 P A 0.0000
310 E A 0.0000
311 F A 0.0000
312 D A 0.0000
313 P A 0.6894
314 F A 1.3151
315 Y A 1.1148
316 S A 0.3206
317 N A 0.0780
318 S A 0.0000
319 G A 0.4057
320 G A 0.0000
321 Y A 0.2514
322 G A 0.0000
323 Y A 0.0000
324 V A 0.0000
325 W A 0.0000
326 F A 0.0000
327 R A 0.0000
328 D A -0.1937
329 D A 0.0000
330 A A 0.0000
331 S A -0.1360
332 V A 0.0000
333 S A 0.0000
334 R A -0.2854
335 H A 0.0000
336 L A 0.0000
337 L A 0.0000
338 E A -0.4849
339 A A 0.0000
340 G A 0.0000
341 A A -1.1676
342 R A -1.5604
343 L A -1.5307
344 D A -2.2998
345 I A 0.0000
346 D A -3.1744
347 T A 0.0000
348 R A -2.8676
349 E A -2.8702
350 M A 0.0000
351 L A 0.0000
352 T A -1.8664
353 E A -1.5191
354 S A 0.0000
355 T A 0.0000
356 E A -2.0039
357 F A 0.0000
358 L A 0.0000
359 C A 0.0000
360 D A -2.2095
361 S A -1.0591
362 Q A -0.8485
363 L A -0.3489
364 S A -0.4662
365 D A -1.0531
366 G A 0.0000
367 R A -0.3978
368 W A 0.0000
369 P A 0.0000
370 H A 0.0000
371 R A 0.0000
372 V A 0.0000
373 W A 0.2966
374 A A 0.0000
375 D A -0.7580
376 T A -0.2195
377 G A -0.2055
378 A A 0.4950
379 I A 1.1897
380 A A 0.0000
381 P A 0.2150
382 G A 0.3162
383 W A 0.6099
384 A A 0.0000
385 N A -0.5744
386 A A 0.0000
387 R A -1.6446
388 V A -0.5872
389 E A -2.3580
390 H A -2.4940
391 N A -2.9319
392 A A -2.0648
393 E A -2.5120
394 S A -2.0135
395 P A -1.2560
396 E A -1.1725
397 Y A 0.0000
398 Q A 0.0000
399 A A 0.0000
400 D A 0.0000
401 Q A 0.0000
402 S A 0.0000
403 A A 0.0000
404 T A 0.0000
405 V A 0.0000
406 T A 0.0000
407 A A 0.0000
408 F A 0.0000
409 L A 0.0000
410 A A 0.0000
411 T A 0.0000
412 V A 0.0000
413 L A 0.0000
414 R A -0.9728
415 T A -1.0617
416 H A -2.1569
417 R A -2.9828
418 G A -2.5319
419 E A -3.1773
420 L A -2.7431
421 D A -3.0342
422 A A -2.1342
423 D A -2.2728
424 L A 0.0000
425 T A -2.1362
426 A A -1.6037
427 T A -1.9251
428 I A 0.0000
429 R A -2.0901
430 E A -2.5425
431 T A 0.0000
432 I A 0.0000
433 D A -2.0344
434 A A -1.5671
435 A A 0.0000
436 V A 0.0000
437 D A -1.8857
438 T A 0.0000
439 L A 0.0000
440 I A -0.8986
441 E A -2.0323
442 D A 0.0000
443 I A 0.0000
444 A A -0.9589
445 A A -0.5144
446 N A -1.2567
447 D A -1.7311
448 L A 0.0000
449 P A 0.0000
450 E A -1.5990
451 P A -1.1104
452 C A 0.0000
453 Q A 0.0000
454 N A 0.0000
455 V A 0.0000
456 W A 0.0000
457 E A -0.9518
458 D A -1.5996
459 S A -0.6763
460 I A -0.1169
461 G A 0.0000
462 Q A 0.0000
463 F A 0.0000
464 T A 0.0000
465 H A 0.0000
466 T A 0.0000
467 T A 0.0000
468 A A 0.0000
469 T A 0.0000
470 F A 0.0000
471 I A 0.0000
472 E A 0.0000
473 A A 0.0000
474 F A 0.0000
475 A A 0.0000
476 A A 0.0000
477 V A 0.0000
478 A A 0.0000
479 R A -1.0414
480 A A 0.0000
481 P A -1.0129
482 M A 0.0000
483 G A -1.8601
484 E A -2.8537
485 S A -2.1718
486 V A 0.0000
487 R A -2.5423
488 E A -3.0071
489 R A -2.2596
490 S A 0.0000
491 L A -1.2186
492 T A -1.1740
493 A A 0.0000
494 A A 0.0000
495 D A -1.6917
496 R A -1.8711
497 L A 0.0000
498 L A 0.0000
499 D A -2.9099
500 G A 0.0000
501 L A 0.0000
502 D A -2.4085
503 T A -1.3434
504 L A 0.0000
505 W A -0.9764
506 D A -1.2258
507 G A -1.5430
508 D A -1.7633
509 L A -0.6870
510 G A -0.8843
511 V A 0.0000
512 Y A 0.0000
513 V A 0.0000
514 M A 0.0000
515 G A 0.0000
516 L A 0.0000
517 T A -0.7786
518 N A -1.4959
519 G A -1.2596
520 T A -0.9483
521 P A -1.0002
522 D A -1.2077
523 H A -1.4847
524 R A -1.5008
525 I A 0.0000
526 D A 0.0000
527 A A 0.0000
528 A A 0.0000
529 G A 0.0000
530 L A 0.0000
531 H A -0.1353
532 L A 0.0000
533 A A 0.0000
534 D A 0.0000
535 A A 0.0000
536 L A 0.0000
537 Q A -0.5293
538 E A 0.0000
539 Y A 0.0000
540 D A -0.9769
541 S A -0.9750
542 V A 0.0000
543 E A -2.1280
544 S A -1.3862
545 A A -0.9008
546 T A -0.8694
547 L A 0.0000
548 S A -1.4434
549 D A -2.4627
550 Q A -1.9877
551 H A -1.6086
552 L A 0.0000
553 T A -1.3395
554 R A -1.2910
555 L A 0.0000
556 A A -0.7338
557 D A -1.1644
558 H A 0.0000
559 V A 0.0000
560 S A -1.0617
561 T A -0.8410
562 T A 0.0000
563 L A 0.0000
564 D A -1.5268
565 T A -0.7402
566 L A 0.0000
567 F A 0.1204
568 R A -0.6779
569 N A -1.7894
570 P A -1.9203
571 T A -1.9328
572 E A -3.0961
573 S A -2.8838
574 R A -2.8168
575 V A 0.0000
576 A A 0.0000
577 G A 0.0000
578 L A 0.0000
579 A A 0.0000
580 R A 0.0000
581 Y A 0.0000
582 E A -1.5413
583 G A -1.5996
584 D A 0.0000
585 R A -2.2394
586 W A -0.7678
587 R A 0.0000
588 T A 0.0000
589 G A -1.4673
590 H A -1.7687
591 Q A -2.1649
592 D A -2.5946
593 S A -1.8225
594 E A -1.4676
595 K A 0.0000
596 V A 0.0000
597 W A 0.0000
598 T A 0.0000
599 V A 0.0000
600 T A 0.0000
601 T A 0.0000
602 A A 0.0000
603 M A 0.0000
604 G A 0.0000
605 A A 0.0000
606 L A 0.0000
607 A A 0.0000
608 A A 0.0000
609 A A 0.0000
610 R A -0.3912
611 V A 0.0000
612 G A 0.0000
613 D A -2.0040
614 M A 0.0000
615 L A 0.0000
616 N A -3.8646
617 D A -3.5834
618 R A -3.6085
619 D A -4.1512
620 E A -4.5141
621 R A -3.9284
622 G A 0.0000
623 D A -2.6599
624 A A -1.7556
625 Y A -1.7290
626 L A -1.9216
627 D A -3.0158
628 R A -2.7724
629 A A 0.0000
630 S A -2.4633
631 D A -3.2371
632 L A 0.0000
633 Y A 0.0000
634 E A -2.8706
635 L A 0.0000
636 L A 0.0000
637 E A -2.1359
638 D A -2.7504
639 D A -2.8758
640 G A -2.2096
641 P A -1.5590
642 L A 0.0000
643 T A -1.0976
644 T A 0.0000
645 D A -2.4697
646 A A -1.2453
647 G A -1.5448
648 Y A 0.0000
649 L A 0.0000
650 A A 0.0000
651 E A 0.0000
652 Q A 0.0000
653 A A 0.0000
654 F A 0.0000
655 D A -2.5945
656 D A -3.2129
657 G A -2.4305
658 D A -1.7619
659 L A -0.6725
660 D A 0.0000
661 S A 0.0000
662 A A 0.0000
663 T A 0.0000
664 P A 0.0000
665 L A 0.0000
666 G A 0.0000
667 W A 0.0687
668 S A 0.0000
669 H A 0.0000
670 A A 0.0000
671 L A 0.0000
672 R A 0.0000
673 L A 0.0000
674 H A 0.0000
675 A A 0.0000
676 T A 0.0000
677 A A 0.0000
678 R A -1.1388
679 L A 0.0000
680 G A -1.6851
681 E A -2.3822
682 L A -1.4880
683 N A -2.0576
684 A A 0.0000
685 L A 0.0000
686 P A -1.4924
687 T A -0.7088
688 T A -0.9309
689 S A -0.9228
690 A A -1.1995
691 G A -1.6749
692 T A -1.7060
693 E A -2.0740
694 G A -1.7567
695 P A 0.0000
696 S A -1.9833
697 E A -2.6156
698 R A -2.4671
699 P A 0.0000
700 T A -1.0559
701 W A 0.0000
702 T A 0.0000
703 T A -0.2717
704 G A 0.0000
705 E A 0.0000
706 K A 0.0000
707 Y A -0.4002
708 G A 0.0000
709 I A 0.0000
710 G A 0.0000
711 T A 0.0000
712 V A 0.0000
713 A A -1.0015
714 D A -1.8591
715 H A 0.0000
716 D A -3.0823
717 E A -3.4187
718 Q A -3.1623
719 D A -3.4063
720 P A 0.0000
721 S A 0.0000
722 R A -0.8054
723 V A 0.0000
724 W A 0.0000
725 F A 0.0000
726 T A 0.0000
727 L A 0.0000
728 T A 0.0000
729 E A -1.3119
730 G A 0.0000
731 A A 0.0000
732 L A 0.0000
733 T A 0.0000
734 E A 0.0000
735 A A 0.0000
736 R A 0.0000
737 Y A 0.0000
738 P A 0.0000
739 Q A 0.0000
740 V A 0.0000
741 D A 0.0000
742 L A 0.0000
743 M A 0.0000
744 N A 0.0000
745 L A 0.0000
746 R A 0.0000
747 T A 0.0000
748 L A 0.0000
749 D A 0.0000
750 F A 0.0000
751 L A 0.0000
752 V A 0.0000
753 R A -1.2734
754 C A 0.0000
755 T A -1.6238
756 D A -2.4918
757 E A -2.5537
758 T A -2.4139
759 D A -2.9842
760 Y A 0.0000
761 A A 0.0000
762 V A 0.0000
763 R A 0.0000
764 T A 0.0000
765 H A 0.0000
766 R A -1.6503
767 E A -1.2997
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1510 N A -1.1355
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Laboratory of Theory of Biopolymers 2018