Project name: 53b2ec053ffaec8

Status: done

Started: 2026-02-13 11:15:37
Settings
Chain sequence(s) A: MKSNQERSNECLPPKKREIPATSRSSEEKAPTLPSDNHRVEGTAWLPGNPGGRGHGGGRHGPAGTSVELGLQQGIGLHKALSTGLDYSPPSAPRSVPVATTLPAAYATPQPGTPVSPVQYAHLPHTFQFIGSSQYSGTYASFIPSQLIPPTANPVTSAVASAAGATTPSQRSQLEAYSTLLANMGSLSQTPGHKAEQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQHLSRAPGLITPGSPPPAQQNQYVHISSSPQNTGRTASPPAIPVHLHPHQTMIPHTLTLGPPSQVVMQYADSGSHFVPREATKKAESSRLQQAIQAKEVLNGEMEKSRRYGAPSSADLGLGKAGGKSVPHPYESRHVVVHPSPSDYSSRDPSGVRASVMVLPNSNTPAADLEVQQATHREASPSTLNDKSGLHLGKPGHRSYALSPHTVIQTTHSASEPLPVGLPATAFYAGTQPPVIGYLSGQQQAITYAGSLPQHLVIPGTQPLLIPVGSTDMEASGAAPAIVTSSPQFAAVPHTFVTTALPKSENFNPEALVTQAAYPAMVQAQIHLPVVQSVASPAAAPPTLPPYFMKGSIIQLANGELKKVEDLKTEDFIQSAEISNDLKIDSSTVERIEDSHSPGVAVIQFAVGEHRAQVSVEVLVEYPFFVFGQGWSSCCPERTSQLFDLPCSKLSVGDVCISLTLKNLKNGSVKKGQPVDPASVLLKHSKADGLAGSRHRYAEQENGINQGSAQMLSENGELKFPEKMGLPAAPFLTKIEPSKPAATRKRRWSAPESRKLEKSEDEPPLTLPKPSLIPQEVKICIEGRSNVGK
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                                          (00:10:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:42)
Show buried residues

Minimal score value
-5.1452
Maximal score value
3.4249
Average score
-0.7932
Total score value
-682.1213

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 0.2011
2 K A -1.6283
3 S A -2.1918
4 N A -3.0442
5 Q A -3.1757
6 E A -3.8297
7 R A -3.8832
8 S A -2.5486
9 N A -2.3563
10 E A -1.9802
11 C A 0.2425
12 L A 0.8315
13 P A -0.3307
14 P A -1.4624
15 K A -3.1035
16 K A -3.7836
17 R A -3.6015
18 E A -2.4365
19 I A 0.3579
20 P A 0.0307
21 A A 0.1624
22 T A -0.3498
23 S A -1.2670
24 R A -2.1170
25 S A -1.6574
26 S A -1.9451
27 E A -3.2414
28 E A -3.6842
29 K A -3.1168
30 A A -1.4179
31 P A -0.5212
32 T A 0.3862
33 L A 1.2889
34 P A 0.0601
35 S A -1.1650
36 D A -2.7707
37 N A -3.0361
38 H A -2.5281
39 R A -1.9005
40 V A -0.3788
41 E A -1.5086
42 G A -1.6370
43 T A -0.6736
44 A A 0.4884
45 W A 1.2958
46 L A 1.6091
47 P A 0.4025
48 G A -0.3594
49 N A -1.0947
50 P A -0.7856
51 G A -1.3432
52 G A -2.0307
53 R A -2.7615
54 G A -2.0986
55 H A -1.8208
56 G A -1.2003
57 G A -1.5012
58 G A -1.9010
59 R A -2.7290
60 H A -2.2449
61 G A -1.4294
62 P A -0.7501
63 A A -0.4422
64 G A -0.3974
65 T A -0.0349
66 S A 0.1132
67 V A 1.0543
68 E A -0.1946
69 L A 1.1305
70 G A 0.4238
71 L A 0.5760
72 Q A -1.1935
73 Q A -1.2680
74 G A -0.2017
75 I A 1.6079
76 G A 1.1903
77 L A 1.0364
78 H A -0.9904
79 K A -1.3167
80 A A -0.3129
81 L A 0.9043
82 S A 0.2365
83 T A 0.2140
84 G A -0.3559
85 L A 0.3157
86 D A -1.1968
87 Y A -0.3997
88 S A -0.2896
89 P A -0.5924
90 P A -0.4204
91 S A -0.6576
92 A A -0.7612
93 P A -1.2632
94 R A -1.7106
95 S A -0.1279
96 V A 1.5670
97 P A 1.6086
98 V A 2.0532
99 A A 0.8635
100 T A 0.6407
101 T A 0.6162
102 L A 1.3706
103 P A 0.8082
104 A A 0.7938
105 A A 0.6830
106 Y A 1.3435
107 A A 0.5374
108 T A -0.2332
109 P A -1.0528
110 Q A -1.6345
111 P A -1.2351
112 G A -0.9488
113 T A -0.2944
114 P A 0.4311
115 V A 1.4157
116 S A 0.8671
117 P A 0.6781
118 V A 1.2574
119 Q A 0.1832
120 Y A 0.8904
121 A A 0.2867
122 H A -0.1143
123 L A 0.7542
124 P A -0.2461
125 H A -0.5842
126 T A 0.2835
127 F A 1.8149
128 Q A 0.9875
129 F A 2.7207
130 I A 2.6128
131 G A 0.7534
132 S A -0.3860
133 S A -0.7413
134 Q A -0.7378
135 Y A 0.4786
136 S A -0.0796
137 G A -0.0726
138 T A 0.3317
139 Y A 1.1679
140 A A 1.0474
141 S A 1.5902
142 F A 2.7858
143 I A 2.7509
144 P A 0.8303
145 S A -0.2058
146 Q A -0.1298
147 L A 1.8296
148 I A 2.3501
149 P A 0.8358
150 P A 0.0328
151 T A -0.4851
152 A A -0.7463
153 N A -1.0362
154 P A -0.0065
155 V A 1.3217
156 T A 0.6556
157 S A 0.5166
158 A A 0.8550
159 V A 1.7440
160 A A 0.8938
161 S A 0.2339
162 A A -0.1066
163 A A -0.1851
164 G A -0.4089
165 A A -0.2226
166 T A -0.2258
167 T A -0.2574
168 P A -0.6606
169 S A -1.3138
170 Q A -2.3033
171 R A -2.8045
172 S A -1.6285
173 Q A -1.2272
174 L A 0.0133
175 E A -1.0083
176 A A 0.0673
177 Y A 0.8574
178 S A 0.7249
179 T A 1.2490
180 L A 2.2786
181 L A 2.0940
182 A A 0.7423
183 N A -0.4898
184 M A 0.1561
185 G A 0.0153
186 S A 0.3497
187 L A 0.9677
188 S A -0.1237
189 Q A -1.2434
190 T A -1.1496
191 P A -1.7210
192 G A -2.2746
193 H A -3.2634
194 K A -3.9042
195 A A -3.5168
196 E A -4.7104
197 Q A -4.9101
198 Q A -4.8541
199 Q A -4.9471
200 Q A -5.1452
201 Q A -5.0563
202 Q A -5.0748
203 Q A -5.0148
204 Q A -4.9857
205 Q A -4.9537
206 Q A -4.9613
207 Q A -4.9493
208 Q A -4.9299
209 Q A -4.9440
210 Q A -4.8830
211 Q A -4.8050
212 Q A -4.6691
213 Q A -4.4296
214 Q A -4.3056
215 Q A -3.8737
216 Q A -3.4814
217 Q A -3.4930
218 Q A -3.1917
219 Q A -3.0872
220 Q A -3.0181
221 Q A -3.0801
222 Q A -3.4617
223 Q A 0.0000
224 Q A -3.6132
225 Q A -3.7235
226 Q A -3.8121
227 Q A -4.1794
228 Q A -4.4138
229 Q A -4.4416
230 Q A -4.5308
231 Q A -4.8691
232 Q A -4.7948
233 Q A -4.8467
234 Q A -4.8954
235 Q A -4.9076
236 Q A -4.9104
237 Q A -4.8726
238 Q A -4.8662
239 Q A -4.8893
240 Q A -4.8766
241 Q A -4.8632
242 Q A -4.8876
243 Q A -4.9055
244 Q A -4.8924
245 Q A -4.8872
246 Q A -4.9193
247 Q A -4.9124
248 Q A -4.8970
249 Q A -4.8980
250 Q A -4.9174
251 Q A -4.8855
252 Q A -4.8595
253 Q A -4.8646
254 Q A -4.8571
255 Q A -4.8560
256 Q A -4.8422
257 Q A -4.8096
258 Q A -4.7953
259 Q A -4.7374
260 Q A -4.6616
261 Q A -4.7101
262 Q A -4.6123
263 Q A -4.2537
264 Q A -4.4432
265 Q A -4.6106
266 Q A -4.2580
267 Q A -3.9750
268 Q A -3.5897
269 Q A -3.4954
270 Q A -3.4688
271 H A -2.6566
272 L A -0.8119
273 S A -1.5980
274 R A -2.2709
275 A A -0.9692
276 P A -0.5702
277 G A 0.4186
278 L A 2.2439
279 I A 2.5985
280 T A 1.0485
281 P A -0.2097
282 G A -0.7748
283 S A -0.6875
284 P A -0.6749
285 P A -0.5423
286 P A -0.8421
287 A A -1.1851
288 Q A -2.4151
289 Q A -2.4869
290 N A -2.1628
291 Q A -1.3731
292 Y A 0.8336
293 V A 1.4666
294 H A 0.8621
295 I A 1.9692
296 S A 0.6019
297 S A -0.1280
298 S A -0.7724
299 P A -1.4305
300 Q A -2.1900
301 N A -2.1717
302 T A -1.7024
303 G A -1.8773
304 R A -2.1244
305 T A -1.1093
306 A A -0.5116
307 S A -0.3660
308 P A -0.2432
309 P A 0.0325
310 A A 0.8216
311 I A 2.1387
312 P A 1.6293
313 V A 1.9440
314 H A 0.7133
315 L A 0.8619
316 H A -0.7510
317 P A -1.1385
318 H A -1.9387
319 Q A -1.5725
320 T A 0.0664
321 M A 1.6947
322 I A 2.1984
323 P A 0.4396
324 H A -0.4707
325 T A 0.1351
326 L A 1.5760
327 T A 1.3203
328 L A 1.5266
329 G A 0.1247
330 P A -0.3614
331 P A -0.8323
332 S A -0.6387
333 Q A -0.0478
334 V A 2.2065
335 V A 2.6329
336 M A 1.9681
337 Q A 0.3639
338 Y A 0.6147
339 A A -0.4603
340 D A -1.7028
341 S A -1.3635
342 G A -1.2318
343 S A -0.6075
344 H A 0.1158
345 F A 2.2021
346 V A 1.9796
347 P A -0.1853
348 R A -2.4637
349 E A -2.7374
350 A A -1.8141
351 T A -1.6679
352 K A -2.7337
353 K A -2.8770
354 A A -2.1322
355 E A -2.4535
356 S A -1.6251
357 S A -1.5325
358 R A -1.6561
359 L A -0.2970
360 Q A -1.3148
361 Q A -1.1843
362 A A -0.0523
363 I A 1.0430
364 Q A -0.6857
365 A A -1.4265
366 K A -2.5059
367 E A -1.5601
368 V A 0.9722
369 L A 1.2948
370 N A -0.7059
371 G A -1.4236
372 E A -2.2146
373 M A -1.1808
374 E A -2.6591
375 K A -2.9266
376 S A -2.8549
377 R A -3.0214
378 R A -2.2820
379 Y A -0.1895
380 G A -0.1920
381 A A -0.0702
382 P A -0.4588
383 S A -0.5978
384 S A -0.7291
385 A A -0.7208
386 D A -1.1207
387 L A 0.7182
388 G A 0.4940
389 L A 1.0036
390 G A -0.6777
391 K A -1.7820
392 A A -1.2770
393 G A -1.4957
394 G A -1.8180
395 K A -1.7981
396 S A -0.3278
397 V A 1.0435
398 P A 0.0280
399 H A -0.6614
400 P A -0.4952
401 Y A 0.0712
402 E A -1.7172
403 S A -1.8420
404 R A -2.4406
405 H A -0.7031
406 V A 2.0770
407 V A 3.1627
408 V A 2.5001
409 H A 0.0276
410 P A -0.5724
411 S A -0.6845
412 P A -0.7763
413 S A -1.0271
414 D A -1.3497
415 Y A 0.1951
416 S A -0.3664
417 S A -1.6012
418 R A -2.9168
419 D A -2.9619
420 P A -1.7129
421 S A -0.7927
422 G A -0.5489
423 V A 0.5899
424 R A -1.0459
425 A A -0.2231
426 S A 0.7294
427 V A 2.8436
428 M A 3.0482
429 V A 3.2585
430 L A 2.4242
431 P A 0.2184
432 N A -1.2018
433 S A -1.5529
434 N A -1.7433
435 T A -0.8393
436 P A -0.7064
437 A A -0.4209
438 A A -0.5913
439 D A -1.3733
440 L A 0.0434
441 E A -0.7697
442 V A 0.2975
443 Q A -1.3060
444 Q A -1.4331
445 A A -1.0527
446 T A -1.1550
447 H A -2.3100
448 R A -3.2552
449 E A -2.9486
450 A A -1.3922
451 S A -0.7247
452 P A -0.4718
453 S A -0.1106
454 T A 0.2540
455 L A 0.4946
456 N A -1.7661
457 D A -3.0093
458 K A -3.0503
459 S A -1.3700
460 G A -0.3503
461 L A 1.0934
462 H A 0.3806
463 L A 0.7853
464 G A -0.7478
465 K A -1.8581
466 P A -1.6399
467 G A -1.8116
468 H A -2.2192
469 R A -2.2655
470 S A -0.6403
471 Y A 1.1896
472 A A 1.3885
473 L A 1.6758
474 S A 0.2063
475 P A -0.4990
476 H A -0.8086
477 T A 0.6928
478 V A 2.2515
479 I A 2.2814
480 Q A 0.0894
481 T A -0.4584
482 T A -0.8777
483 H A -1.1306
484 S A -0.7150
485 A A -0.6924
486 S A -1.1792
487 E A -1.7417
488 P A -0.4853
489 L A 1.3029
490 P A 1.3059
491 V A 2.0617
492 G A 1.0942
493 L A 1.5918
494 P A 0.4882
495 A A 0.4482
496 T A 0.3401
497 A A 1.2713
498 F A 2.6133
499 Y A 2.2104
500 A A 0.8565
501 G A -0.5386
502 T A -0.9315
503 Q A -1.3173
504 P A -0.3886
505 P A 0.5366
506 V A 2.3913
507 I A 2.8333
508 G A 1.9022
509 Y A 2.4684
510 L A 1.7501
511 S A 0.1649
512 G A -1.1092
513 Q A -2.1898
514 Q A -2.5224
515 Q A -1.6215
516 A A 0.1894
517 I A 2.0172
518 T A 1.5526
519 Y A 1.5983
520 A A 0.4085
521 G A 0.1114
522 S A 0.1299
523 L A 0.7506
524 P A -0.2684
525 Q A -0.8030
526 H A 0.0570
527 L A 2.0501
528 V A 2.9503
529 I A 2.9338
530 P A 0.9066
531 G A -0.2890
532 T A -0.8117
533 Q A -0.8880
534 P A 0.5182
535 L A 2.3334
536 L A 3.1872
537 I A 3.4249
538 P A 2.0339
539 V A 2.1079
540 G A 0.2309
541 S A -0.3226
542 T A -0.7401
543 D A -1.8078
544 M A -0.7336
545 E A -1.7311
546 A A -0.8437
547 S A -0.8082
548 G A -0.5213
549 A A -0.2465
550 A A -0.1308
551 P A 0.2462
552 A A 1.3787
553 I A 2.8357
554 V A 2.6859
555 T A 1.1093
556 S A -0.0292
557 S A -0.6758
558 P A -0.5977
559 Q A -0.3993
560 F A 1.3476
561 A A 1.1768
562 A A 1.2844
563 V A 1.4812
564 P A 0.1661
565 H A -0.4065
566 T A 0.7710
567 F A 2.5409
568 V A 2.6485
569 T A 1.4124
570 T A 1.0141
571 A A 0.9288
572 L A 1.1010
573 P A -0.3662
574 K A -2.0403
575 S A -2.2395
576 E A -2.5486
577 N A -1.5635
578 F A 0.2676
579 N A -1.0226
580 P A -1.3777
581 E A -1.8446
582 A A 0.2517
583 L A 2.0912
584 V A 2.2789
585 T A 0.5186
586 Q A -0.8248
587 A A -0.2821
588 A A 0.4015
589 Y A 1.3590
590 P A 0.7002
591 A A 1.0022
592 M A 1.7281
593 V A 1.5866
594 Q A -0.0926
595 A A -0.1610
596 Q A -0.3057
597 I A 1.2597
598 H A 0.5621
599 L A 2.0984
600 P A 1.6703
601 V A 2.3665
602 V A 2.4222
603 Q A 0.5975
604 S A 0.9003
605 V A 1.4975
606 A A 0.5012
607 S A 0.2524
608 P A -0.0289
609 A A -0.1090
610 A A -0.1108
611 A A -0.1239
612 P A -0.3319
613 P A -0.2624
614 T A -0.1526
615 L A 0.3617
616 P A 0.2941
617 P A 0.2471
618 Y A 1.3523
619 F A 0.4132
620 M A -0.5062
621 K A -2.2879
622 G A -1.1596
623 S A 0.1879
624 I A 1.1493
625 I A 0.5163
626 Q A -0.7981
627 L A -0.5773
628 A A -0.7630
629 N A -1.3340
630 G A -1.3856
631 E A -1.5103
632 L A 0.1979
633 K A -0.6547
634 K A -1.0640
635 V A 0.0000
636 E A -2.2713
637 D A -2.5123
638 L A -1.5936
639 K A -2.4175
640 T A -1.5735
641 E A -2.1719
642 D A 0.0000
643 F A -0.4725
644 I A -0.8571
645 Q A -1.4312
646 S A -1.2011
647 A A -1.2077
648 E A -1.8885
649 I A -0.4673
650 S A -1.2807
651 N A -2.2083
652 D A -2.1657
653 L A -1.1137
654 K A -1.4093
655 I A -0.1509
656 D A -0.3372
657 S A -0.3225
658 S A 0.0000
659 T A -0.3713
660 V A 0.0000
661 E A -1.3550
662 R A -2.0789
663 I A -1.5335
664 E A -3.0828
665 D A -2.8883
666 S A -1.9476
667 H A -1.6642
668 S A -1.1285
669 P A -0.7790
670 G A -0.3791
671 V A -0.7459
672 A A 0.0000
673 V A -1.5063
674 I A 0.0000
675 Q A -1.1857
676 F A 0.0000
677 A A 0.0000
678 V A -0.7682
679 G A -1.6465
680 E A -2.6271
681 H A -2.4405
682 R A -2.1073
683 A A -1.3104
684 Q A -1.2714
685 V A 0.1195
686 S A -0.4401
687 V A 0.0581
688 E A -1.5517
689 V A -0.1918
690 L A 0.5827
691 V A 0.0933
692 E A 0.0000
693 Y A 0.7238
694 P A 0.0000
695 F A 0.2311
696 F A 0.0000
697 V A 0.0000
698 F A -0.4500
699 G A -1.3199
700 Q A -1.6886
701 G A -1.2327
702 W A 0.0000
703 S A 0.0000
704 S A 0.0000
705 C A -0.7151
706 C A -0.9800
707 P A -1.8066
708 E A -3.0747
709 R A -2.4569
710 T A 0.0000
711 S A -2.4574
712 Q A -2.4808
713 L A -1.3449
714 F A 0.0000
715 D A -2.9946
716 L A 0.0000
717 P A -1.4948
718 C A -1.3480
719 S A -1.3833
720 K A -1.9067
721 L A 0.0000
722 S A -0.1812
723 V A 0.5384
724 G A -0.1349
725 D A -0.1809
726 V A 0.3687
727 C A 0.0000
728 I A 0.7299
729 S A 0.4752
730 L A 0.6379
731 T A -0.0690
732 L A -0.4062
733 K A -2.1114
734 N A -2.1877
735 L A -1.0083
736 K A -2.5727
737 N A -2.3184
738 G A -1.4291
739 S A -1.3477
740 V A -1.9390
741 K A -2.4661
742 K A -2.6423
743 G A -1.7792
744 Q A -1.7754
745 P A -0.9869
746 V A 0.2755
747 D A -1.1242
748 P A -0.3662
749 A A 0.3491
750 S A 1.2844
751 V A 2.3850
752 L A 2.6230
753 L A 1.5811
754 K A -0.8549
755 H A -1.7226
756 S A -1.9278
757 K A -2.3715
758 A A -1.8753
759 D A -2.0460
760 G A -0.5698
761 L A 0.8942
762 A A 0.4587
763 G A -0.6122
764 S A -1.5935
765 R A -2.9119
766 H A -2.6259
767 R A -2.0570
768 Y A -0.0902
769 A A -0.8318
770 E A -2.5259
771 Q A -3.2902
772 E A -3.5569
773 N A -2.2512
774 G A -0.7352
775 I A 0.6413
776 N A -1.0533
777 Q A -1.7112
778 G A -1.4332
779 S A -0.9308
780 A A -0.5327
781 Q A -0.3272
782 M A 1.2080
783 L A 1.3052
784 S A -0.5783
785 E A -2.3494
786 N A -2.8183
787 G A -2.1387
788 E A -1.8594
789 L A 0.0636
790 K A -0.3933
791 F A 0.9632
792 P A -0.8111
793 E A -2.2133
794 K A -2.2083
795 M A -0.0699
796 G A 0.4291
797 L A 1.4187
798 P A 0.4882
799 A A 0.2171
800 A A 0.5252
801 P A 1.1578
802 F A 2.5990
803 L A 2.0956
804 T A 0.6991
805 K A -0.8179
806 I A 0.2215
807 E A -1.3630
808 P A -1.1842
809 S A -1.5641
810 K A -1.9765
811 P A -1.1145
812 A A -0.5627
813 A A -0.6150
814 T A -1.2661
815 R A -3.2122
816 K A -3.8457
817 R A -3.7456
818 R A -2.7545
819 W A -0.5487
820 S A -0.3412
821 A A -0.3679
822 P A -1.0851
823 E A -2.4798
824 S A -2.4828
825 R A -2.8742
826 K A -2.2357
827 L A -1.0005
828 E A -2.2734
829 K A -2.7717
830 S A -2.7504
831 E A -3.5515
832 D A -3.7059
833 E A -3.2466
834 P A -1.2525
835 P A 0.2268
836 L A 1.7308
837 T A 0.9964
838 L A 1.2948
839 P A -0.2399
840 K A -1.3845
841 P A -0.4352
842 S A 0.1234
843 L A 1.2944
844 I A 1.0825
845 P A -0.4274
846 Q A -1.4270
847 E A -2.2721
848 V A -0.4741
849 K A -1.1908
850 I A -0.9828
851 C A -0.1589
852 I A 0.7210
853 E A -1.5525
854 G A -1.3892
855 R A -2.2338
856 S A -1.1736
857 N A -1.5427
858 V A 0.0941
859 G A -1.8868
860 K A -2.8176
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Laboratory of Theory of Biopolymers 2018