Project name: 401ce647eb177a3

Status: done

Started: 2026-01-06 13:31:01
Settings
Chain sequence(s) A: MVQRWLYSTNAKDIAVLYFMLAIFSGMAGTAMSLIIRLELAAPGSQYLHGNSQLFNGAPTSAYISLMRTALVLWIINRYLKHMTNSVGANFTGTMACHKTPMISVGGVKCYMVRLTNFLQVFIRITISSYHLDMVKQVWLFYVEVIRLWFIVLDSTGSVKKMKDTNNTKGNTKSEGSTERGNSGVDRGMVVPNTQMKMRFLNQVRYYSVNNNLKMGKDTNIELSKDTSTSDLLEFEKLVMDNMNEENMNNNLLSIMKNVDMLMLAYNRIKSKPGNMTPGTTLETLDGMNMMYLNKLSNELGTGKFKFKPMRMVNIPKPKGGMRPLSVGNPRDKIVQEVMRMILDTIFDKKMSTHSHGFRKNMSCQTAIWEVRNMFGGSNWFIEVDLKKCFDTISHDLIIKELKRYISDKGFIDLVYKLLRAGYIDEKGTYHKPMLGLPQGSLISPILCNIVMTLVDNWLEDYINLYNKGKVKKQHPTYKKLSRMIAKAKMFSTRLKLHKERAKGPTFIYNDPNFKRMKYVRYADDILIGVLGSKNDCKMIKRDLNNFLNSLGLTMNEEKTLITCATETPARFLGYNISITPLKRMPTVTKTIRGKTIRSRNTTRPIINAPIRDIINKLATNGYCKHNKNGRMGVPTRVGRWTYEEPRTIINNYKALGRGILNYYKLATNYKRLRERIYYVLYYSCVLTLASKYRLKTMSKTIKKFGYNLNIIENDKLIANFPRNTFDNIKKIENHGMFMYMSEAKVTDPFEYIDSIKYMLPTAKANFNKPCSICNSTIDVEMHHVKQLHRGMLKATKDYITGRMITMNRKQIPLCKQCHIKTHKNKFKNMGPGM
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:18)
Show buried residues

Minimal score value
-4.0436
Maximal score value
4.3016
Average score
-0.5856
Total score value
-488.3752

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 1.1315
2 V A 1.6246
3 Q A -0.1792
4 R A -0.7908
5 W A 0.4337
6 L A 1.2505
7 Y A 0.8544
8 S A -0.4211
9 T A -0.7047
10 N A -1.6154
11 A A -1.2108
12 K A -1.8182
13 D A -0.4755
14 I A 0.7068
15 A A 1.0080
16 V A 2.1253
17 L A 2.7257
18 Y A 3.4658
19 F A 4.3016
20 M A 3.9141
21 L A 3.6254
22 A A 3.1295
23 I A 3.5188
24 F A 3.4823
25 S A 1.9397
26 G A 1.2601
27 M A 1.8574
28 A A 1.1913
29 G A 0.6085
30 T A 1.0583
31 A A 1.1706
32 M A 1.6083
33 S A 1.3842
34 L A 2.4564
35 I A 2.9270
36 I A 2.4685
37 R A 0.9105
38 L A 2.2015
39 E A 1.3984
40 L A 1.7263
41 A A 0.8914
42 A A 0.0859
43 P A -0.1923
44 G A -0.6786
45 S A -0.1866
46 Q A -0.8129
47 Y A 0.9712
48 L A 0.8073
49 H A -1.0243
50 G A -1.3522
51 N A -1.2347
52 S A -0.6722
53 Q A -0.8295
54 L A 0.9778
55 F A 1.4826
56 N A -0.4258
57 G A -0.2071
58 A A 0.4962
59 P A 0.4005
60 T A -0.0226
61 S A 0.4804
62 A A 0.8142
63 Y A 1.4631
64 I A 1.6342
65 S A 1.1841
66 L A 1.9711
67 M A 1.3489
68 R A 0.2577
69 T A 1.2642
70 A A 1.2893
71 L A 1.2669
72 V A 1.7469
73 L A 1.8603
74 W A 1.3087
75 I A 1.3653
76 I A 1.0076
77 N A -0.5559
78 R A -0.3872
79 Y A 0.1706
80 L A -0.3638
81 K A -2.2476
82 H A -1.6032
83 M A -0.4564
84 T A -0.6480
85 N A -1.4287
86 S A -0.3969
87 V A 1.1354
88 G A 0.0448
89 A A -0.0934
90 N A -0.2257
91 F A 1.4169
92 T A 0.3723
93 G A 0.0865
94 T A 0.9818
95 M A 1.0500
96 A A 0.7242
97 C A 1.0637
98 H A -0.9563
99 K A -1.7073
100 T A -0.3554
101 P A 0.2503
102 M A 1.8897
103 I A 2.4111
104 S A 1.8138
105 V A 2.0573
106 G A 0.5332
107 G A 0.2569
108 V A 1.2396
109 K A 0.1856
110 C A 1.3029
111 Y A 1.8232
112 M A 1.8862
113 V A 1.7585
114 R A 0.0826
115 L A 1.1127
116 T A 0.8156
117 N A 0.3871
118 F A 2.1053
119 L A 1.6076
120 Q A 0.9527
121 V A 2.5165
122 F A 2.5933
123 I A 2.4153
124 R A 0.8947
125 I A 2.3723
126 T A 1.4277
127 I A 1.9240
128 S A 0.8047
129 S A 0.7855
130 Y A 1.3308
131 H A 0.5446
132 L A 0.7201
133 D A -1.0896
134 M A 0.4470
135 V A 0.9971
136 K A -0.6196
137 Q A 0.2973
138 V A 2.2696
139 W A 2.2183
140 L A 2.7170
141 F A 2.9284
142 Y A 2.4056
143 V A 1.9563
144 E A 1.2088
145 V A 1.6802
146 I A 1.6875
147 R A 1.4483
148 L A 2.8232
149 W A 2.7077
150 F A 2.4036
151 I A 3.1225
152 V A 2.9530
153 L A 1.4899
154 D A -0.3872
155 S A 0.1728
156 T A -0.1653
157 G A -1.3058
158 S A -1.2769
159 V A -1.3262
160 K A -3.0978
161 K A -3.2324
162 M A -1.9830
163 K A -3.7336
164 D A -4.0436
165 T A -3.0410
166 N A -3.2313
167 N A -3.3203
168 T A -2.8176
169 K A -2.8323
170 G A -2.3330
171 N A -2.4823
172 T A -2.1171
173 K A -2.7022
174 S A -2.2192
175 E A -2.6205
176 G A -1.8894
177 S A -1.3240
178 T A -1.6571
179 E A -3.1292
180 R A -3.2366
181 G A -2.5453
182 N A -2.2952
183 S A -1.2383
184 G A -0.5942
185 V A -0.1363
186 D A -1.8330
187 R A -2.0446
188 G A -0.4730
189 M A 1.3198
190 V A 2.3108
191 V A 1.8644
192 P A 0.2231
193 N A -0.8046
194 T A -0.8855
195 Q A -1.6236
196 M A -0.7060
197 K A -1.4645
198 M A -0.6477
199 R A -1.5866
200 F A -0.3292
201 L A 0.5537
202 N A -0.5963
203 Q A -0.5195
204 V A 0.2625
205 R A -0.5157
206 Y A 0.6259
207 Y A 0.5669
208 S A 0.3544
209 V A 0.9118
210 N A -0.3723
211 N A -1.1461
212 N A -0.9670
213 L A 0.0541
214 K A -1.5331
215 M A -0.8618
216 G A -1.6430
217 K A -2.9452
218 D A -2.7042
219 T A -1.5771
220 N A -1.2196
221 I A 0.7183
222 E A -0.7339
223 L A 0.3585
224 S A -1.1002
225 K A -2.6436
226 D A -2.5605
227 T A -1.7532
228 S A -1.3237
229 T A -0.9362
230 S A -1.0153
231 D A -1.5885
232 L A 0.0000
233 L A -0.2344
234 E A -1.8031
235 F A 0.0000
236 E A -1.1764
237 K A -2.1377
238 L A 0.0000
239 V A 0.0000
240 M A -1.1536
241 D A -2.3174
242 N A 0.0000
243 M A -1.4093
244 N A -2.9233
245 E A -3.5086
246 E A -3.2995
247 N A -2.2135
248 M A -1.1979
249 N A 0.0000
250 N A -2.0445
251 N A -2.2136
252 L A 0.0000
253 L A -1.0179
254 S A -1.2554
255 I A 0.0000
256 M A 0.0000
257 K A -1.5903
258 N A -1.3386
259 V A -0.7404
260 D A 0.0000
261 M A 0.0000
262 L A 0.0000
263 M A 0.0000
264 L A 0.0000
265 A A 0.0000
266 Y A 0.0000
267 N A -0.4806
268 R A -0.6975
269 I A 0.0000
270 K A -1.1190
271 S A -1.7569
272 K A -2.0020
273 P A -1.7216
274 G A -0.9836
275 N A 0.0000
276 M A -0.7217
277 T A -0.1649
278 P A 0.1326
279 G A 0.0000
280 T A -0.0084
281 T A 0.2132
282 L A 1.1367
283 E A -0.1630
284 T A -0.1647
285 L A 0.0000
286 D A -0.5698
287 G A -0.4587
288 M A 0.0000
289 N A -0.2920
290 M A 0.0327
291 M A 0.4007
292 Y A -0.2367
293 L A 0.0000
294 N A -1.5811
295 K A -2.2115
296 L A 0.0000
297 S A 0.0000
298 N A -2.9000
299 E A -2.8618
300 L A 0.0000
301 G A -1.7936
302 T A -1.5590
303 G A -1.9882
304 K A -2.7220
305 F A 0.0000
306 K A -2.4964
307 F A 0.0000
308 K A -1.2276
309 P A -0.5359
310 M A 0.0000
311 R A -0.5045
312 M A -0.7032
313 V A -0.0156
314 N A -0.4979
315 I A 0.3938
316 P A -0.8042
317 K A -1.8759
318 P A -1.7200
319 K A -2.3368
320 G A -1.9018
321 G A -1.2288
322 M A -0.4488
323 R A -1.3476
324 P A -0.6032
325 L A 0.1161
326 S A 0.0000
327 V A 0.1595
328 G A 0.0000
329 N A 0.0000
330 P A 0.0000
331 R A -0.5436
332 D A 0.0000
333 K A -0.2170
334 I A 0.0000
335 V A 0.0000
336 Q A 0.0000
337 E A 0.0000
338 V A 0.0000
339 M A 0.0000
340 R A -0.3364
341 M A 0.0000
342 I A 0.0000
343 L A 0.0000
344 D A -0.5144
345 T A -0.4333
346 I A 0.0000
347 F A 0.0000
348 D A -0.8262
349 K A -1.2143
350 K A -1.5014
351 M A 0.0000
352 S A -0.6105
353 T A -0.5498
354 H A -0.3489
355 S A 0.0000
356 H A 0.0000
357 G A 0.0000
358 F A 1.1522
359 R A -0.1355
360 K A -0.7682
361 N A -1.3497
362 M A -0.5203
363 S A -0.1106
364 C A 0.2890
365 Q A 0.0134
366 T A 0.0000
367 A A 0.0000
368 I A 0.0000
369 W A 0.0000
370 E A -0.5955
371 V A 0.0000
372 R A -1.0454
373 N A -1.5159
374 M A -0.7667
375 F A 0.0000
376 G A -0.9998
377 G A -0.9193
378 S A 0.0000
379 N A 0.0000
380 W A -0.2963
381 F A 0.0000
382 I A 0.0000
383 E A -0.5716
384 V A 0.0000
385 D A -2.2709
386 L A 0.0000
387 K A -3.2774
388 K A -2.8466
389 C A 0.0000
390 F A -0.8144
391 D A -1.0294
392 T A -0.5633
393 I A 0.0000
394 S A 0.0056
395 H A 0.0000
396 D A -1.8301
397 L A -1.4845
398 I A 0.0000
399 I A 0.0000
400 K A -3.0391
401 E A 0.0000
402 L A 0.0000
403 K A -3.0944
404 R A -2.8380
405 Y A -1.7565
406 I A 0.0000
407 S A -1.7892
408 D A -2.1094
409 K A -2.6245
410 G A -1.6234
411 F A 0.0000
412 I A -1.1880
413 D A -1.4324
414 L A 0.0000
415 V A 0.0000
416 Y A -0.5290
417 K A -1.1896
418 L A 0.0000
419 L A 0.0000
420 R A -0.8937
421 A A -1.2046
422 G A 0.0000
423 Y A -0.2452
424 I A -0.3866
425 D A -1.7337
426 E A -2.8385
427 K A -2.7264
428 G A -1.6801
429 T A -0.5762
430 Y A 0.3237
431 H A -0.3625
432 K A -0.9239
433 P A 0.0734
434 M A 0.9469
435 L A 1.3482
436 G A 0.0000
437 L A 0.0000
438 P A -0.1203
439 Q A -0.5682
440 G A -0.3580
441 S A 0.0000
442 L A -0.0752
443 I A 0.0000
444 S A 0.0000
445 P A 0.2533
446 I A 0.0000
447 L A 0.0000
448 C A 0.0000
449 N A 0.0000
450 I A 0.0000
451 V A 0.0000
452 M A 0.0000
453 T A -0.2012
454 L A -0.0993
455 V A 0.0000
456 D A 0.0000
457 N A -1.5300
458 W A -1.0794
459 L A 0.0000
460 E A -1.8823
461 D A -2.1999
462 Y A -0.8466
463 I A -1.2020
464 N A -1.5145
465 L A 0.1546
466 Y A -0.4785
467 N A -1.7004
468 K A -2.6054
469 G A -2.2918
470 K A -1.8309
471 V A -0.0896
472 K A -0.9941
473 K A -2.0200
474 Q A -1.2078
475 H A -0.9748
476 P A -1.4144
477 T A -1.5616
478 Y A -1.7566
479 K A -2.6969
480 K A -2.7447
481 L A -2.0986
482 S A -2.0188
483 R A -2.8044
484 M A -1.7778
485 I A 0.0000
486 A A -1.7714
487 K A -2.3334
488 A A -1.1879
489 K A -1.2567
490 M A 0.8563
491 F A 1.7283
492 S A 0.4988
493 T A -0.2795
494 R A -0.8971
495 L A -0.4595
496 K A -2.4159
497 L A 0.0000
498 H A -2.4128
499 K A -3.5982
500 E A -3.5634
501 R A -2.7758
502 A A -2.4438
503 K A -2.9929
504 G A -1.4602
505 P A -0.1554
506 T A -0.4281
507 F A 0.3992
508 I A 0.3154
509 Y A 0.7953
510 N A -0.7366
511 D A 0.0000
512 P A -1.5097
513 N A -2.4712
514 F A -1.8539
515 K A -1.8141
516 R A -1.3038
517 M A 0.0000
518 K A -0.7791
519 Y A 0.0000
520 V A 0.0000
521 R A 0.0000
522 Y A 0.1045
523 A A 0.0000
524 D A -1.3130
525 D A -1.0102
526 I A 0.0000
527 L A 0.0000
528 I A 0.0000
529 G A 0.0000
530 V A 0.0000
531 L A 0.0000
532 G A 0.0000
533 S A -1.5649
534 K A -2.1397
535 N A -2.1962
536 D A -1.4484
537 C A 0.0000
538 K A -1.9631
539 M A -0.9318
540 I A 0.0000
541 K A -1.7906
542 R A -2.5626
543 D A -1.9695
544 L A 0.0000
545 N A -2.1369
546 N A -2.4343
547 F A -1.1720
548 L A 0.0000
549 N A -1.8221
550 S A -1.0574
551 L A -0.5797
552 G A -0.9559
553 L A 0.0000
554 T A -1.7578
555 M A 0.0000
556 N A -2.9733
557 E A -3.4380
558 E A -3.3671
559 K A -3.1147
560 T A 0.0000
561 L A -0.0796
562 I A 0.4066
563 T A -0.1488
564 C A -0.4404
565 A A 0.0000
566 T A -0.7200
567 E A -1.8638
568 T A -1.1745
569 P A -1.1212
570 A A 0.0000
571 R A -1.9656
572 F A 0.0000
573 L A -0.5204
574 G A -0.8470
575 Y A 0.0000
576 N A -1.0473
577 I A 0.0000
578 S A -0.7569
579 I A 0.0000
580 T A -0.8327
581 P A -0.9088
582 L A -0.5171
583 K A -2.3592
584 R A -2.4359
585 M A -1.3493
586 P A -1.0493
587 T A -1.1260
588 V A -0.4239
589 T A -0.8688
590 K A -1.1651
591 T A -0.7454
592 I A 0.0104
593 R A -1.8109
594 G A -1.6539
595 K A -2.0456
596 T A -1.0513
597 I A -0.4630
598 R A -1.8525
599 S A -1.3400
600 R A -1.8150
601 N A -1.3533
602 T A -0.8172
603 T A -1.1766
604 R A -1.5797
605 P A 0.0000
606 I A -0.0803
607 I A 0.0000
608 N A -0.6293
609 A A 0.0000
610 P A -1.1051
611 I A -1.5170
612 R A -2.2726
613 D A -1.9734
614 I A 0.0000
615 I A 0.0000
616 N A -2.5142
617 K A -2.7113
618 L A 0.0000
619 A A -1.8817
620 T A -1.7360
621 N A -2.0648
622 G A -2.0679
623 Y A 0.0000
624 C A 0.0000
625 K A -2.9098
626 H A -3.0737
627 N A -3.4458
628 K A -3.5899
629 N A -3.2607
630 G A -2.8420
631 R A -3.1706
632 M A -2.2367
633 G A 0.0000
634 V A -0.3430
635 P A 0.0000
636 T A -1.1399
637 R A -2.2283
638 V A 0.0000
639 G A -1.4338
640 R A -1.9915
641 W A -1.2324
642 T A -0.7122
643 Y A 0.1085
644 E A -1.3106
645 E A -1.8018
646 P A -1.1082
647 R A -1.0750
648 T A -1.4108
649 I A 0.0000
650 I A 0.0000
651 N A -1.4455
652 N A -0.8833
653 Y A 0.0000
654 K A 0.0000
655 A A -0.5392
656 L A -0.2035
657 G A 0.0000
658 R A -1.1819
659 G A -0.6612
660 I A -0.2260
661 L A 0.0000
662 N A -1.0771
663 Y A -0.1444
664 Y A 0.0000
665 K A -1.3041
666 L A 0.0000
667 A A 0.0000
668 T A -0.9501
669 N A -1.4465
670 Y A 0.0000
671 K A -3.5538
672 R A -3.4831
673 L A 0.0000
674 R A -2.6237
675 E A -3.0580
676 R A -1.8077
677 I A 0.0000
678 Y A -1.0100
679 Y A 0.0889
680 V A 0.0000
681 L A 0.0000
682 Y A 0.0000
683 Y A 0.6297
684 S A 0.0000
685 C A 0.0000
686 V A 0.0000
687 L A -0.4485
688 T A 0.0000
689 L A 0.0000
690 A A 0.0000
691 S A -1.1602
692 K A -0.8900
693 Y A -0.7108
694 R A -2.2544
695 L A -1.9281
696 K A -2.2744
697 T A -1.3487
698 M A -0.7074
699 S A -1.4737
700 K A -3.0884
701 T A 0.0000
702 I A -1.3142
703 K A -2.7407
704 K A -2.6731
705 F A -1.1100
706 G A -1.0051
707 Y A 0.0459
708 N A -0.9240
709 L A 0.0000
710 N A -0.1978
711 I A 0.0000
712 I A 0.4958
713 E A -1.8409
714 N A -2.6490
715 D A -2.7029
716 K A -2.1233
717 L A 0.5887
718 I A 0.5814
719 A A 0.0000
720 N A -0.3081
721 F A 0.0000
722 P A -1.5738
723 R A -2.7726
724 N A -2.9536
725 T A -2.0554
726 F A 0.0000
727 D A -3.3557
728 N A -2.7612
729 I A -2.3675
730 K A -2.9899
731 K A -2.7596
732 I A -1.8934
733 E A -2.8547
734 N A -2.2165
735 H A -1.1794
736 G A -0.3429
737 M A 0.0000
738 F A 1.9346
739 M A 1.9321
740 Y A 1.3743
741 M A 0.7289
742 S A 0.0643
743 E A -1.3013
744 A A -0.9910
745 K A -1.4367
746 V A -0.0064
747 T A -0.5859
748 D A -0.6878
749 P A 0.0000
750 F A -0.4047
751 E A -0.9890
752 Y A -0.4189
753 I A 0.0000
754 D A -0.3681
755 S A 0.0473
756 I A 0.0000
757 K A -0.0638
758 Y A 1.0433
759 M A 0.5048
760 L A 0.1545
761 P A -0.1254
762 T A -0.0362
763 A A 0.0000
764 K A -0.9203
765 A A -0.9086
766 N A -0.9390
767 F A 0.0000
768 N A -1.7132
769 K A -1.5371
770 P A -0.8213
771 C A 0.0000
772 S A -0.2097
773 I A 0.5325
774 C A 0.0185
775 N A -0.7649
776 S A -0.3165
777 T A 0.0475
778 I A 0.9955
779 D A -0.4369
780 V A -0.7191
781 E A -0.7944
782 M A 0.0000
783 H A 0.0000
784 H A 0.0000
785 V A -1.0810
786 K A -2.2265
787 Q A -2.5617
788 L A -2.0680
789 H A -1.8468
790 R A -2.3431
791 G A -1.2526
792 M A -0.1936
793 L A -0.0207
794 K A -1.2162
795 A A -0.5747
796 T A -1.2755
797 K A -2.5848
798 D A -2.3431
799 Y A 0.0000
800 I A 0.0000
801 T A -0.7251
802 G A -1.0328
803 R A -1.0226
804 M A 0.0000
805 I A 0.0000
806 T A -0.8765
807 M A -1.0958
808 N A -2.4699
809 R A -2.5708
810 K A -2.1436
811 Q A -1.1876
812 I A 0.0000
813 P A -0.8065
814 L A 0.0000
815 C A 0.0000
816 K A -1.9260
817 Q A -1.6605
818 C A 0.0000
819 H A 0.0000
820 I A -1.2762
821 K A -2.7118
822 T A -2.5126
823 H A -2.4096
824 K A -3.4572
825 N A -3.8031
826 K A -3.6236
827 F A -2.7708
828 K A -3.2960
829 N A -2.6791
830 M A -1.1509
831 G A -1.2534
832 P A -0.7577
833 G A -0.1150
834 M A 0.8408
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Laboratory of Theory of Biopolymers 2018