Project name: 8898e354b5edfdf

Status: done

Started: 2026-04-16 06:45:56
Settings
Chain sequence(s) A: DELSRQPPFYPSPWANGQGEWAEAYQRAVAIVSQMTLDEKVNLTTGTGWELEKCVGQTGGVPRLNIGGMCLQDSPLGIRDSDYNSAFPAGVNVAATWDKNLAYLRGQAMGQEFSDKGIDVQLGPAAGPLGRSPDGGRNWEGFSPDPALTGVLFAETIKGIQDAGVVATAKHYILNEQEHFRQVAEAAGYGFNISDTISSNVDDKTIHEMYLWPFADAVRAGVGAIMCSYNQINNSYGCQNSYTLNKLLKAELGFQGFVMSDWGAHHSGVGSALAGLDMSMPGDRSRDSATSFWGTNLTIAVLNGTVPQWRVDDMAVRIMAAYYKVGRDRLYQPPNFSSWTRDEYGFKYFYPQEGPYEKVNHFVNVQRNHSEVIRKLGADSTVLLKNNNALPLTGKERKVAILGEDAGSNSRGANGCSDRGCDNGTLAMAWGSGTAEFPRMVTPEQAIQAEVLKHKGSVMAITDNWALSQVETLAKQASVSLVFVNSDAGEGYISVDGNEGDRNNLTLWKNGDNLIKAAANNCNNTIVVIHSVGPVLVDEWYDHPNVTAILWAGLPGQESGNSLADVLYGRVNPGAKSPFTWGKTREAYGDYLVRELNNGNGAPQDDFSEGVFIDYRGFDKRNETPIYEFGHGLSYTTFNYSGLHIQQLNASSNAQVATETGAAPTFGQVGNASDYVYPEGLTRISKFIYPWLNSTDLKASSGDPRYGVDTAEHVPEGATDGSPQPVLPAGGGSGGNPRLYDELIRVSVTVKNTGRVAGDAVPQLYVSLGGPNEPKVVLRKFDRLTLKPSEETKWTTTLTRRDLSNWDRAAQDWVINDEPKKVHVGSSSRQLPLHAALPKVQ
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                                          (00:04:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:52)
Show buried residues

Minimal score value
-3.444
Maximal score value
1.1634
Average score
-0.6165
Total score value
-518.495

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 D A -2.5148
2 E A -2.5192
3 L A -1.2866
4 S A -1.6453
5 R A -2.1022
6 Q A 0.0000
7 P A -0.6470
8 P A -0.4259
9 F A 0.2457
10 Y A -0.0592
11 P A 0.0000
12 S A 0.0000
13 P A -0.1962
14 W A -0.2769
15 A A 0.0000
16 N A -1.6725
17 G A 0.0000
18 Q A -1.5435
19 G A -1.4834
20 E A -1.4145
21 W A 0.0000
22 A A -2.0399
23 E A -2.8351
24 A A 0.0000
25 Y A -1.8308
26 Q A -2.3858
27 R A -2.2540
28 A A 0.0000
29 V A -0.8392
30 A A -0.7614
31 I A -0.5162
32 V A 0.0000
33 S A -0.7454
34 Q A -1.5150
35 M A 0.0000
36 T A -0.9091
37 L A 0.0000
38 D A -0.4252
39 E A -0.7697
40 K A 0.0000
41 V A 0.0000
42 N A -0.3842
43 L A 0.0000
44 T A 0.0000
45 T A 0.0000
46 G A 0.0000
47 T A 0.0000
48 G A 0.0000
49 W A -0.6829
50 E A -0.2404
51 L A 0.0000
52 E A -0.1750
53 K A -0.2636
54 C A 0.0000
55 V A -0.0334
56 G A 0.0000
57 Q A -0.2705
58 T A 0.0000
59 G A -0.3607
60 G A 0.0000
61 V A 0.0000
62 P A -1.6358
63 R A -2.4031
64 L A -1.5328
65 N A -2.0542
66 I A 0.0000
67 G A -1.1526
68 G A -0.4410
69 M A 0.0000
70 C A 0.0000
71 L A 0.0000
72 Q A 0.0000
73 D A 0.0000
74 S A 0.0000
75 P A 0.0000
76 L A 0.0000
77 G A 0.0000
78 I A 0.0000
79 R A -0.8307
80 D A -1.1419
81 S A 0.0000
82 D A -0.5302
83 Y A 0.2235
84 N A 0.0000
85 S A 0.0000
86 A A 0.0000
87 F A 0.0000
88 P A 0.0000
89 A A 0.0000
90 G A 0.0000
91 V A 0.0000
92 N A 0.0000
93 V A 0.0000
94 A A 0.0000
95 A A 0.0000
96 T A 0.0000
97 W A 0.0000
98 D A -1.1119
99 K A -1.4438
100 N A -1.5286
101 L A 0.0000
102 A A 0.0000
103 Y A -0.7197
104 L A 0.1099
105 R A 0.0000
106 G A 0.0000
107 Q A -0.6960
108 A A 0.0000
109 M A 0.0000
110 G A 0.0000
111 Q A -1.0009
112 E A 0.0000
113 F A 0.0000
114 S A -0.4574
115 D A -0.9234
116 K A 0.0000
117 G A 0.0000
118 I A 0.0000
119 D A 0.0000
120 V A 0.0000
121 Q A 0.0000
122 L A 0.0000
123 G A 0.0000
124 P A 0.0000
125 A A 0.0000
126 A A 0.0000
127 G A 0.0000
128 P A 0.0000
129 L A 0.0000
130 G A -0.0479
131 R A 0.0000
132 S A 0.0000
133 P A 0.0000
134 D A 0.0000
135 G A 0.0000
136 G A 0.0000
137 R A 0.0000
138 N A 0.0000
139 W A 0.0000
140 E A 0.0000
141 G A 0.0000
142 F A 0.0000
143 S A 0.0000
144 P A 0.0000
145 D A 0.0000
146 P A 0.0000
147 A A 0.0000
148 L A 0.0000
149 T A 0.0000
150 G A 0.0000
151 V A -0.0004
152 L A 0.0000
153 F A 0.0000
154 A A -0.6142
155 E A -1.0651
156 T A 0.0000
157 I A 0.0000
158 K A -1.5021
159 G A 0.0000
160 I A 0.0000
161 Q A -1.4124
162 D A -2.1972
163 A A -1.1842
164 G A 0.0000
165 V A 0.0000
166 V A 0.0000
167 A A 0.0000
168 T A 0.0000
169 A A 0.0000
170 K A 0.0000
171 H A 0.0000
172 Y A 0.0000
173 I A 0.0000
174 L A 0.0000
175 N A 0.0000
176 E A 0.0000
177 Q A 0.0000
178 E A 0.0000
179 H A -0.3718
180 F A 0.0000
181 R A 0.0000
182 Q A 0.0238
183 V A 0.0800
184 A A 0.1111
185 E A 0.0000
186 A A 0.0000
187 A A -0.4871
188 G A -0.3024
189 Y A -0.0646
190 G A -0.6075
191 F A -0.9230
192 N A -1.6277
193 I A 0.0000
194 S A -1.0729
195 D A -0.9954
196 T A 0.0000
197 I A 0.0000
198 S A 0.0000
199 S A 0.0000
200 N A -1.3151
201 V A 0.0000
202 D A -2.0640
203 D A -1.7831
204 K A -1.9358
205 T A 0.0000
206 I A 0.0000
207 H A 0.0000
208 E A -0.4912
209 M A 0.0000
210 Y A 0.0000
211 L A 0.0000
212 W A 0.0000
213 P A 0.0000
214 F A 0.0000
215 A A 0.0000
216 D A -0.5377
217 A A 0.0000
218 V A 0.0000
219 R A -1.1017
220 A A 0.0000
221 G A 0.0000
222 V A 0.0000
223 G A 0.0000
224 A A 0.0000
225 I A 0.0000
226 M A 0.0000
227 C A 0.0000
228 S A 0.0000
229 Y A -0.0674
230 N A 0.0000
231 Q A 0.0000
232 I A 0.0000
233 N A 0.0000
234 N A -0.8310
235 S A -0.6906
236 Y A -0.2168
237 G A 0.0000
238 C A 0.0000
239 Q A -0.3876
240 N A 0.0000
241 S A 0.0000
242 Y A 0.1725
243 T A 0.0000
244 L A 0.0000
245 N A 0.0000
246 K A 0.0000
247 L A 0.0000
248 L A 0.0000
249 K A 0.0000
250 A A 0.1014
251 E A 0.0000
252 L A 0.0000
253 G A -0.5147
254 F A 0.0000
255 Q A 0.0000
256 G A 0.0000
257 F A 0.0000
258 V A 0.0000
259 M A 0.0000
260 S A 0.0000
261 D A -0.2778
262 W A 0.0000
263 G A -0.9458
264 A A 0.0000
265 H A 0.0000
266 H A -0.5946
267 S A -0.3107
268 G A -0.1117
269 V A 0.1980
270 G A -0.3799
271 S A 0.0000
272 A A 0.0000
273 L A 0.0000
274 A A 0.0000
275 G A 0.0000
276 L A 0.0000
277 D A 0.0000
278 M A 0.0000
279 S A 0.0000
280 M A 0.0000
281 P A 0.0000
282 G A 0.0000
283 D A 0.0000
284 R A -1.2084
285 S A -1.4738
286 R A -2.1712
287 D A -1.4417
288 S A -1.0814
289 A A -0.7676
290 T A -0.6897
291 S A -0.3918
292 F A -0.0946
293 W A 0.0000
294 G A 0.0000
295 T A -0.1523
296 N A -0.2843
297 L A 0.0000
298 T A 0.0000
299 I A 0.0000
300 A A 0.0000
301 V A 0.0000
302 L A -0.5221
303 N A -1.1199
304 G A -0.7655
305 T A -0.4320
306 V A 0.0000
307 P A -0.4459
308 Q A -0.4475
309 W A 0.0000
310 R A 0.0000
311 V A 0.0000
312 D A 0.0000
313 D A 0.0000
314 M A 0.0000
315 A A 0.0000
316 V A 0.0000
317 R A 0.0000
318 I A 0.0000
319 M A 0.0000
320 A A 0.0000
321 A A 0.0000
322 Y A 0.0000
323 Y A 0.0000
324 K A -1.6270
325 V A -1.0586
326 G A -1.3486
327 R A 0.0000
328 D A -2.8161
329 R A -2.5297
330 L A -1.1606
331 Y A -1.2652
332 Q A -1.6776
333 P A -0.9020
334 P A -0.7758
335 N A -0.7099
336 F A 0.0000
337 S A 0.0000
338 S A 0.0000
339 W A -0.2760
340 T A -1.1316
341 R A -2.0981
342 D A -2.7263
343 E A -2.1821
344 Y A -0.8309
345 G A -0.6518
346 F A -0.0810
347 K A -0.8620
348 Y A -0.3933
349 F A 0.0197
350 Y A 0.1410
351 P A -0.5626
352 Q A -1.0041
353 E A -1.0912
354 G A -0.9357
355 P A -0.4411
356 Y A 0.4255
357 E A -0.7212
358 K A -1.3740
359 V A 0.0000
360 N A 0.0000
361 H A -0.8211
362 F A 0.3184
363 V A 0.1378
364 N A -1.0609
365 V A 0.0000
366 Q A -1.5218
367 R A -2.9925
368 N A -2.6724
369 H A 0.0000
370 S A -1.9363
371 E A -2.8461
372 V A -1.5283
373 I A 0.0000
374 R A -1.8481
375 K A -2.2112
376 L A 0.0000
377 G A 0.0000
378 A A 0.0000
379 D A 0.0000
380 S A 0.0000
381 T A 0.0000
382 V A 0.0000
383 L A 0.0000
384 L A 0.0000
385 K A -1.0036
386 N A -1.3688
387 N A -2.1844
388 N A -2.0121
389 A A -1.2281
390 L A 0.0000
391 P A -0.6357
392 L A 0.0000
393 T A -0.7967
394 G A -1.8961
395 K A -2.8254
396 E A -2.4467
397 R A -3.1375
398 K A -1.9061
399 V A 0.0000
400 A A 0.0000
401 I A 0.0000
402 L A 0.0000
403 G A 0.0000
404 E A -1.0021
405 D A 0.0000
406 A A 0.0000
407 G A -0.8028
408 S A -0.9015
409 N A 0.0000
410 S A -1.4170
411 R A -2.4097
412 G A -1.8283
413 A A -1.4983
414 N A -2.0952
415 G A -1.6195
416 C A -1.1198
417 S A -0.6686
418 D A -1.0337
419 R A 0.0000
420 G A -0.3338
421 C A -0.7509
422 D A -0.7291
423 N A -1.1590
424 G A 0.0000
425 T A 0.0000
426 L A 0.0000
427 A A 0.0000
428 M A 0.0000
429 A A 0.0000
430 W A 0.0000
431 G A 0.0000
432 S A -0.3367
433 G A 0.0000
434 T A 0.0000
435 A A 0.0000
436 E A -1.1708
437 F A 0.0000
438 P A -0.7620
439 R A -1.2656
440 M A -0.6726
441 V A -0.3621
442 T A 0.0000
443 P A 0.0000
444 E A -1.0970
445 Q A -1.5632
446 A A 0.0000
447 I A 0.0000
448 Q A -1.0420
449 A A -1.0192
450 E A -1.4344
451 V A 0.0000
452 L A -0.9811
453 K A -2.3548
454 H A -2.8693
455 K A -2.8891
456 G A -2.4131
457 S A -1.0094
458 V A -0.2392
459 M A 0.3618
460 A A -0.2290
461 I A 0.0000
462 T A -0.8808
463 D A -1.5924
464 N A 0.0000
465 W A 0.3601
466 A A -0.2751
467 L A -0.3083
468 S A -0.6001
469 Q A -1.3343
470 V A 0.0000
471 E A -1.8761
472 T A -1.5212
473 L A 0.0000
474 A A 0.0000
475 K A -2.9926
476 Q A -2.4333
477 A A -1.7915
478 S A -1.7634
479 V A 0.0000
480 S A 0.0000
481 L A 0.0000
482 V A 0.0000
483 F A 0.0000
484 V A 0.0000
485 N A 0.0000
486 S A 0.0000
487 D A 0.0000
488 A A 0.0000
489 G A 0.0000
490 E A 0.0014
491 G A 0.0000
492 Y A 1.1634
493 I A 0.5089
494 S A -0.4169
495 V A -1.0108
496 D A -2.0788
497 G A -1.6333
498 N A 0.0000
499 E A -0.8221
500 G A 0.0000
501 D A 0.0000
502 R A 0.0000
503 N A -1.8904
504 N A -1.5749
505 L A 0.0000
506 T A -0.6349
507 L A 0.0000
508 W A -0.4941
509 K A -0.8155
510 N A -0.5581
511 G A 0.0000
512 D A -1.0752
513 N A -1.0084
514 L A 0.0000
515 I A 0.0000
516 K A -1.3673
517 A A 0.0000
518 A A 0.0000
519 A A 0.0000
520 N A -2.1173
521 N A -2.1594
522 C A 0.0000
523 N A -2.1774
524 N A -1.4496
525 T A 0.0000
526 I A 0.0000
527 V A 0.0000
528 V A 0.0000
529 I A 0.0000
530 H A 0.0000
531 S A 0.0000
532 V A 0.0000
533 G A 0.0000
534 P A 0.0000
535 V A 0.0000
536 L A -0.8775
537 V A 0.0000
538 D A -2.7475
539 E A -3.0436
540 W A 0.0000
541 Y A -1.6514
542 D A -2.4677
543 H A -1.9884
544 P A -1.4334
545 N A -1.7314
546 V A 0.0000
547 T A -1.5325
548 A A 0.0000
549 I A 0.0000
550 L A 0.0000
551 W A 0.0000
552 A A 0.0000
553 G A 0.0000
554 L A 0.0000
555 P A 0.0000
556 G A 0.0000
557 Q A 0.0000
558 E A 0.0000
559 S A 0.0000
560 G A 0.0000
561 N A -0.7406
562 S A 0.0000
563 L A 0.0000
564 A A 0.0000
565 D A 0.0000
566 V A 0.0000
567 L A 0.0000
568 Y A -0.5870
569 G A -1.0152
570 R A -1.8311
571 V A -1.0530
572 N A -0.4774
573 P A 0.0000
574 G A 0.0000
575 A A 0.0000
576 K A 0.0000
577 S A 0.0000
578 P A 0.0000
579 F A 0.0000
580 T A 0.0000
581 W A 0.0000
582 G A 0.0000
583 K A -1.9166
584 T A -1.3979
585 R A 0.0000
586 E A -1.7948
587 A A 0.0000
588 Y A 0.0000
589 G A -0.4515
590 D A 0.0000
591 Y A 0.7511
592 L A 0.0000
593 V A -0.6315
594 R A -1.3049
595 E A -2.1817
596 L A -1.8598
597 N A -2.1779
598 N A -1.9689
599 G A -1.8069
600 N A -2.2590
601 G A -1.5447
602 A A 0.0000
603 P A 0.0000
604 Q A 0.0000
605 D A 0.0000
606 D A -1.8812
607 F A 0.0000
608 S A -1.0411
609 E A -0.8241
610 G A -0.8823
611 V A -0.3977
612 F A -0.5024
613 I A 0.0000
614 D A 0.0000
615 Y A 0.0000
616 R A 0.0000
617 G A 0.0000
618 F A 0.0000
619 D A 0.0000
620 K A -2.9569
621 R A -2.1084
622 N A -2.5475
623 E A -1.8754
624 T A -0.9660
625 P A -0.7829
626 I A -0.5580
627 Y A 0.0000
628 E A -0.4056
629 F A 0.0000
630 G A 0.0000
631 H A -0.2656
632 G A 0.0643
633 L A 0.3665
634 S A 0.1888
635 Y A -0.2637
636 T A -0.5053
637 T A -0.4612
638 F A -0.6340
639 N A -1.2584
640 Y A -0.8559
641 S A -0.8432
642 G A -0.7157
643 L A -0.7320
644 H A -1.2280
645 I A -0.9636
646 Q A -1.6319
647 Q A -2.0827
648 L A -1.3837
649 N A -1.6728
650 A A -1.3983
651 S A -1.3261
652 S A -1.6046
653 N A -1.8268
654 A A -1.4175
655 Q A -1.4964
656 V A -0.7832
657 A A -0.6971
658 T A -0.9556
659 E A -1.9693
660 T A -1.3802
661 G A -1.1495
662 A A -0.6250
663 A A -0.4960
664 P A -0.3267
665 T A -0.3155
666 F A -0.4086
667 G A -1.0678
668 Q A -1.4745
669 V A -1.0325
670 G A -1.5579
671 N A -1.9713
672 A A -1.6698
673 S A -1.7452
674 D A -2.2300
675 Y A 0.0000
676 V A -0.9924
677 Y A -0.8007
678 P A -1.0679
679 E A -1.8271
680 G A -1.3202
681 L A -0.7417
682 T A -1.0183
683 R A -1.7682
684 I A -1.0113
685 S A -0.9026
686 K A -0.9757
687 F A -0.3476
688 I A 0.0000
689 Y A -0.1122
690 P A 0.0000
691 W A -0.1889
692 L A 0.0000
693 N A -1.6779
694 S A -1.5406
695 T A -1.7963
696 D A -2.4551
697 L A -1.8106
698 K A -2.7415
699 A A -1.7744
700 S A 0.0000
701 S A -1.5020
702 G A -1.3966
703 D A -1.3124
704 P A -1.2773
705 R A -1.9154
706 Y A -1.2887
707 G A -1.1860
708 V A -1.0215
709 D A -2.3355
710 T A -1.5321
711 A A -1.7261
712 E A -2.6580
713 H A -1.7403
714 V A -1.1219
715 P A -1.4275
716 E A -2.1453
717 G A -1.0819
718 A A 0.0000
719 T A -0.7265
720 D A -1.0708
721 G A -0.6400
722 S A -0.5883
723 P A -1.0320
724 Q A -1.0497
725 P A -1.0345
726 V A -0.4792
727 L A -0.2365
728 P A -0.2137
729 A A 0.0000
730 G A 0.0000
731 G A -0.5870
732 G A 0.0000
733 S A -0.7509
734 G A 0.0000
735 G A 0.0000
736 N A -0.7387
737 P A -1.1412
738 R A -2.0440
739 L A 0.0000
740 Y A -0.7211
741 D A -1.2671
742 E A -1.6963
743 L A 0.0000
744 I A 0.0000
745 R A -1.4370
746 V A 0.0000
747 S A -0.9531
748 V A 0.0000
749 T A 0.0000
750 V A 0.0000
751 K A -2.5009
752 N A 0.0000
753 T A -1.5080
754 G A -1.3163
755 R A -1.9912
756 V A -0.9091
757 A A -1.2180
758 G A -0.6733
759 D A -0.5182
760 A A 0.0000
761 V A 0.0000
762 P A 0.0000
763 Q A 0.0000
764 L A 0.0000
765 Y A 0.0000
766 V A 0.0000
767 S A -1.2240
768 L A 0.0000
769 G A -1.8755
770 G A -1.6706
771 P A -1.5197
772 N A -1.9825
773 E A -1.6859
774 P A 0.0000
775 K A -2.6048
776 V A 0.0000
777 V A 0.0000
778 L A 0.0000
779 R A 0.0000
780 K A -0.3516
781 F A 0.0000
782 D A -0.7325
783 R A -0.7520
784 L A -0.4237
785 T A -0.9451
786 L A 0.0000
787 K A -2.8404
788 P A -2.1959
789 S A -2.0840
790 E A -3.0211
791 E A -3.4440
792 T A -2.1153
793 K A -2.2113
794 W A 0.0000
795 T A -0.7951
796 T A -0.6280
797 T A -0.8035
798 L A 0.0000
799 T A -0.8189
800 R A 0.0000
801 R A 0.0000
802 D A 0.0000
803 L A 0.0000
804 S A 0.0000
805 N A -0.5663
806 W A 0.0000
807 D A -1.5909
808 R A -2.5165
809 A A -1.1210
810 A A -0.8153
811 Q A -1.1920
812 D A -0.8602
813 W A -0.2631
814 V A -0.1834
815 I A -0.8623
816 N A -2.0273
817 D A -3.0377
818 E A -2.5687
819 P A -1.9180
820 K A -1.7415
821 K A -1.6718
822 V A 0.0000
823 H A -1.0172
824 V A 0.0000
825 G A 0.0000
826 S A -0.3760
827 S A 0.0000
828 S A 0.0000
829 R A -1.0323
830 Q A -0.9762
831 L A -0.5784
832 P A -0.6495
833 L A -0.3932
834 H A -1.2174
835 A A -0.8575
836 A A -0.9652
837 L A 0.0000
838 P A -1.4897
839 K A -2.6272
840 V A -1.7962
841 Q A -1.7246
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Laboratory of Theory of Biopolymers 2018