Project name: 452a1ba9f7a15e0

Status: done

Started: 2026-05-18 09:36:50
Settings
Chain sequence(s) A: DELSRQPPFYPSPWANGQGEWAEAYQRAVAIVSQMTLDEKVNLTTGTGWELEKCVGQTGGVPRLNIGGMCLQDSPLGIRDSDYNSAFPAGVNVAATWDKNLAYLRGQAMGQEFSDKGIDVQLGPAAGPLGRSPDGGRNWEGFSPDPALTGVLFAETIKGIQDAGVVATAKHYILNEQEHFRQVAEAAGYGFNISDTISSNVDDKTIHEMYLWPFADAVRAGVGAIMCSYNQINNSYGCQNSYTLNKLLKAELGFQGFVMSDWGAHHSGVGSALAGLDMSMPGDRSRDSATSFWGTNLTIAVLNGTVPQWRVDDMAVRIMAAYYKVGRDRLYQPPNFSSWTRDEYGFKYFYPQEGPYEKVNHFVNVQRNHSEVIRKLGADSTVLLKNNNALPLTGKERKVAILGEDAGSNSRGANGCSDRGCDNGTLAMAWGSGTAEFPRMVTPEQAIQAEVLKHKGSVMAITDNWALSQVETLAKQASVSLVFVNSDAGEGYISVDGNEGDRNNLTLWKNGDNLIKAAANNCNNTIVVIHSVGPVLVDEWYDHPNVTAILWAGLPGQESGNSLADVLYGRVNPGAKSPFTWGKTREAYGDYLVRELNNGNGAPQDDFSEGVFIDYRGFDKRNETPIYEFGHGLSYTTFNYSGLHIQQLNASSNAQVATETGAAPTFGQVGNASDYVYPEGLTRISKFIYPWLNSTDLKASSGDPRYGVNTAEHVPEGATDGSPQPVLPAGGGSGGNPRLYDELIRVSVTVKNTGRVAGDAVPQLYVSLGGPNEPKVVLRKFDRLTLKPSEETKWTTTLTRRDLSNWDRAAQDWVINDEPKKVHVGSSSRQLPLHAALPKVQ
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]                                                (00:00:01)
[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]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:11:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:11:47)
Show buried residues

Minimal score value
-3.3802
Maximal score value
0.9079
Average score
-0.5943
Total score value
-499.7998

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 -2.4494
2 E A -2.5143
3 L A -1.0823
4 S A -1.5469
5 R A -2.1316
6 Q A 0.0000
7 P A -0.6735
8 P A -0.5512
9 F A 0.1632
10 Y A -0.2064
11 P A 0.0000
12 S A 0.0000
13 P A -0.1825
14 W A 0.0000
15 A A 0.0000
16 N A -1.6033
17 G A -1.5112
18 Q A -1.2726
19 G A -1.4923
20 E A -1.6645
21 W A 0.0000
22 A A -2.0100
23 E A -2.8088
24 A A 0.0000
25 Y A -1.7287
26 Q A -2.3566
27 R A -2.1673
28 A A 0.0000
29 V A -0.6173
30 A A -0.7413
31 I A -0.4738
32 V A 0.0000
33 S A -0.8475
34 Q A -1.2598
35 M A 0.0000
36 T A -0.8876
37 L A 0.0000
38 D A -0.3820
39 E A -0.7386
40 K A 0.0000
41 V A 0.0000
42 N A -0.3179
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 -0.7368
49 W A 0.0000
50 E A -0.2965
51 L A 0.0000
52 E A -0.1548
53 K A -0.3807
54 C A 0.0000
55 V A 0.0000
56 G A 0.0000
57 Q A 0.0000
58 T A 0.0000
59 G A -0.3145
60 G A 0.0000
61 V A 0.0000
62 P A -1.5657
63 R A -2.2348
64 L A -1.4450
65 N A -1.8077
66 I A -0.8584
67 G A -0.8743
68 G A -0.4216
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 -0.7196
80 D A -1.0174
81 S A 0.0000
82 D A -0.7082
83 Y A -0.2017
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 -1.0111
99 K A -1.2311
100 N A -1.4663
101 L A 0.0000
102 A A 0.0000
103 Y A -0.6250
104 L A 0.1716
105 R A 0.0000
106 G A 0.0000
107 Q A -0.6991
108 A A 0.0000
109 M A 0.0000
110 G A 0.0000
111 Q A -1.1066
112 E A 0.0000
113 F A 0.0000
114 S A -0.4964
115 D A -1.0445
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 0.0000
131 R A 0.0000
132 S A 0.0000
133 P A -0.1171
134 D A 0.0000
135 G A 0.0000
136 G A 0.0000
137 R A 0.0000
138 N A -0.1938
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 0.1483
152 L A 0.0000
153 F A 0.0000
154 A A -0.5916
155 E A -0.9278
156 T A 0.0000
157 I A 0.0000
158 K A -1.4785
159 G A 0.0000
160 I A 0.0000
161 Q A -1.5048
162 D A -2.2298
163 A A -1.1548
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 0.0000
180 F A 0.0000
181 R A 0.0000
182 Q A -0.1733
183 V A -0.0442
184 A A -0.0721
185 E A -0.1055
186 A A 0.0000
187 A A -0.3598
188 G A -0.3336
189 Y A 0.0107
190 G A -0.4480
191 F A -0.6514
192 N A -1.5664
193 I A 0.0000
194 S A -1.0728
195 D A -1.0015
196 T A 0.0000
197 I A 0.0000
198 S A 0.0000
199 S A 0.0000
200 N A -1.2301
201 V A -0.9094
202 D A -1.3842
203 D A -1.3251
204 K A -1.2991
205 T A 0.0000
206 I A 0.0000
207 H A 0.0000
208 E A -0.3184
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 -0.6462
217 A A 0.0000
218 V A 0.0000
219 R A -1.5308
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 0.0000
230 N A 0.0000
231 Q A 0.0000
232 I A 0.0000
233 N A -1.1440
234 N A -0.8265
235 S A -0.6519
236 Y A -0.1988
237 G A 0.0000
238 C A 0.0000
239 Q A -0.2638
240 N A 0.0000
241 S A 0.0000
242 Y A 0.1518
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 0.1089
251 E A 0.0000
252 L A 0.0000
253 G A 0.0000
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 0.0000
262 W A -0.4087
263 G A -0.9713
264 A A 0.0000
265 H A 0.0000
266 H A -0.6230
267 S A -0.2504
268 G A -0.0248
269 V A 0.2361
270 G A -0.1483
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 -1.9360
285 S A -1.8514
286 R A -2.4329
287 D A 0.0000
288 S A -1.1614
289 A A -0.7544
290 T A -0.7493
291 S A 0.0000
292 F A -0.2049
293 W A 0.0000
294 G A 0.0000
295 T A -0.1364
296 N A -0.4322
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 -0.4962
303 N A -1.0023
304 G A -0.8385
305 T A -0.3872
306 V A 0.0000
307 P A -0.6381
308 Q A -0.7616
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 -1.1238
324 K A -1.3464
325 V A 0.0000
326 G A 0.0000
327 R A 0.0000
328 D A -1.3978
329 R A -1.7861
330 L A -0.5707
331 Y A -0.7426
332 Q A -1.4386
333 P A -0.8553
334 P A 0.0000
335 N A -0.6350
336 F A 0.0000
337 S A 0.0000
338 S A 0.0000
339 W A -0.2602
340 T A -1.0272
341 R A -2.0051
342 D A -2.6766
343 E A -2.3949
344 Y A -0.7143
345 G A -0.2488
346 F A 0.6915
347 K A -0.1954
348 Y A 0.0221
349 F A 0.3753
350 Y A 0.5014
351 P A -0.2280
352 Q A -0.5115
353 E A -0.7189
354 G A -0.6053
355 P A -0.1025
356 Y A 0.9079
357 E A -0.2824
358 K A -1.2779
359 V A 0.0000
360 N A 0.0000
361 H A -1.0141
362 F A -0.0652
363 V A 0.0599
364 N A -1.1525
365 V A 0.0000
366 Q A -1.6555
367 R A -2.8243
368 N A -2.6659
369 H A 0.0000
370 S A -2.0075
371 E A -2.9484
372 V A 0.0000
373 I A 0.0000
374 R A -1.9700
375 K A -2.0379
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 -0.9798
386 N A -1.3533
387 N A -2.1702
388 N A -2.0089
389 A A -1.2259
390 L A 0.0000
391 P A -0.6084
392 L A 0.0000
393 T A -0.8276
394 G A -1.7234
395 K A -2.8550
396 E A -2.4395
397 R A -3.1490
398 K A -1.9587
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 -0.9870
405 D A 0.0000
406 A A 0.0000
407 G A 0.0000
408 S A -0.8996
409 N A 0.0000
410 S A -1.3579
411 R A -2.3163
412 G A -1.6321
413 A A -1.2120
414 N A -1.3711
415 G A -1.4120
416 C A 0.0000
417 S A -0.5850
418 D A -0.6486
419 R A 0.0000
420 G A -0.2350
421 C A -0.4708
422 D A -0.6618
423 N A -1.1062
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 -0.0925
433 G A 0.0000
434 T A 0.0000
435 A A 0.0000
436 E A -1.1285
437 F A 0.0000
438 P A -0.7886
439 R A -1.2118
440 M A -0.6130
441 V A -0.3780
442 T A 0.0000
443 P A 0.0000
444 E A -0.9847
445 Q A -1.4084
446 A A 0.0000
447 I A 0.0000
448 Q A -0.4930
449 A A -0.6548
450 E A 0.0000
451 V A 0.0000
452 L A -0.2907
453 K A -1.8917
454 H A -2.5212
455 K A -2.5988
456 G A -2.1803
457 S A -0.9058
458 V A -0.0681
459 M A 0.3592
460 A A -0.2236
461 I A 0.0000
462 T A -0.9219
463 D A -1.5769
464 N A 0.0000
465 W A 0.3853
466 A A -0.2379
467 L A -0.2766
468 S A -0.5703
469 Q A -1.2087
470 V A 0.0000
471 E A -2.0443
472 T A -1.6131
473 L A 0.0000
474 A A 0.0000
475 K A -2.9552
476 Q A -2.4742
477 A A -1.8814
478 S A -1.7737
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 0.0000
491 G A 0.0000
492 Y A 0.6107
493 I A 0.3241
494 S A -0.4162
495 V A -0.9265
496 D A -2.0715
497 G A -1.4628
498 N A 0.0000
499 E A -0.6436
500 G A 0.0000
501 D A 0.0000
502 R A 0.0000
503 N A -1.8869
504 N A -1.7159
505 L A 0.0000
506 T A -0.5574
507 L A 0.0000
508 W A -0.5205
509 K A -0.6994
510 N A -0.7032
511 G A 0.0000
512 D A -1.3304
513 N A -1.1799
514 L A 0.0000
515 I A 0.0000
516 K A -1.6379
517 A A 0.0000
518 A A 0.0000
519 A A 0.0000
520 N A -2.2212
521 N A -2.2782
522 C A 0.0000
523 N A -2.0721
524 N A -1.1714
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 -0.7692
537 V A 0.0000
538 D A -2.4558
539 E A -2.9118
540 W A 0.0000
541 Y A -1.4764
542 D A -2.3999
543 H A -1.9872
544 P A -1.4443
545 N A -1.7016
546 V A 0.0000
547 T A -1.4887
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 -0.6998
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 -0.4649
569 G A -0.7852
570 R A -1.5235
571 V A -0.8271
572 N A -0.2369
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 -1.9079
584 T A -1.4009
585 R A -1.4574
586 E A -2.0634
587 A A 0.0000
588 Y A 0.0000
589 G A -0.8954
590 D A 0.0000
591 Y A 0.8950
592 L A 0.0000
593 V A -0.4800
594 R A -1.0607
595 E A -2.0814
596 L A -1.7963
597 N A -2.1716
598 N A -1.7475
599 G A -1.9938
600 N A -2.2437
601 G A -1.6046
602 A A 0.0000
603 P A 0.0000
604 Q A -0.8877
605 D A 0.0000
606 D A -2.0373
607 F A 0.0000
608 S A -1.0595
609 E A -0.7636
610 G A -0.8440
611 V A 0.0000
612 F A 0.0000
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 -2.4222
620 K A -3.2753
621 R A -2.6691
622 N A -2.6284
623 E A -2.0204
624 T A -1.0567
625 P A 0.0000
626 I A -0.4720
627 Y A 0.0000
628 E A -0.4605
629 F A 0.0000
630 G A 0.0000
631 H A -0.3357
632 G A 0.0460
633 L A 0.3175
634 S A 0.2921
635 Y A -0.1044
636 T A 0.0000
637 T A -0.3585
638 F A -0.8490
639 N A -1.5705
640 Y A -0.9996
641 S A -0.8922
642 G A -0.6097
643 L A -0.6295
644 H A -1.2826
645 I A -1.0318
646 Q A -2.1294
647 Q A -2.2968
648 L A -1.7430
649 N A -1.8163
650 A A -1.7168
651 S A -1.2938
652 S A -1.6484
653 N A -1.8118
654 A A -1.4089
655 Q A -1.5530
656 V A -0.8455
657 A A -0.7233
658 T A -0.9893
659 E A -2.0101
660 T A -1.4840
661 G A -1.2533
662 A A -0.7312
663 A A -0.6184
664 P A -0.3400
665 T A -0.3339
666 F A -0.3929
667 G A -1.0267
668 Q A -1.3727
669 V A -0.8510
670 G A -1.5168
671 N A -1.8651
672 A A -1.4386
673 S A -1.6809
674 D A -2.1488
675 Y A 0.0000
676 V A -0.8744
677 Y A -0.7377
678 P A -1.2120
679 E A -1.8138
680 G A -1.2835
681 L A -0.6332
682 T A -0.9268
683 R A -1.5796
684 I A -0.9153
685 S A -0.7827
686 K A -0.8462
687 F A -0.2899
688 I A 0.0000
689 Y A -0.1144
690 P A 0.0000
691 W A -0.1842
692 L A 0.0000
693 N A -1.3515
694 S A -1.2435
695 T A -1.6843
696 D A -2.3333
697 L A -1.8750
698 K A -2.8203
699 A A -1.8232
700 S A 0.0000
701 S A -1.7889
702 G A -1.7292
703 D A -2.4172
704 P A -1.9190
705 R A -2.5410
706 Y A -1.7862
707 G A -1.3053
708 V A -0.9312
709 N A -1.9919
710 T A -1.4771
711 A A -1.6061
712 E A -2.7235
713 H A -2.1019
714 V A -1.2934
715 P A -1.4465
716 E A -2.2304
717 G A -1.1691
718 A A 0.0000
719 T A -0.8690
720 D A -1.2190
721 G A -0.7920
722 S A -0.7056
723 P A -1.1684
724 Q A -1.1341
725 P A -1.0474
726 V A -0.4474
727 L A -0.1706
728 P A -0.1432
729 A A 0.0000
730 G A 0.0000
731 G A -0.5930
732 G A -0.5558
733 S A -0.8587
734 G A 0.0000
735 G A 0.0000
736 N A 0.0000
737 P A -0.9619
738 R A -1.8112
739 L A 0.0000
740 Y A -0.8292
741 D A -1.5516
742 E A -2.3598
743 L A 0.0000
744 I A 0.0000
745 R A -2.1085
746 V A 0.0000
747 S A -1.1168
748 V A 0.0000
749 T A -1.6804
750 V A 0.0000
751 K A -2.5657
752 N A 0.0000
753 T A -1.3901
754 G A -1.2182
755 R A -1.6869
756 V A -0.3267
757 A A -0.8479
758 G A 0.0000
759 D A -0.3735
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 -1.1201
768 L A 0.0000
769 G A -1.7187
770 G A -1.5909
771 P A -1.3316
772 N A -2.0010
773 E A -1.6558
774 P A 0.0000
775 K A -2.3814
776 V A 0.0000
777 V A 0.0000
778 L A 0.0000
779 R A 0.0000
780 K A -0.4100
781 F A 0.0000
782 D A -0.9852
783 R A -0.7478
784 L A -0.2232
785 T A -0.5879
786 L A 0.0000
787 K A -2.6057
788 P A -1.9858
789 S A -1.9526
790 E A -2.7735
791 E A -3.3802
792 T A -2.0997
793 K A -2.2294
794 W A 0.0000
795 T A -0.9527
796 T A -0.8666
797 T A -1.2145
798 L A 0.0000
799 T A -1.1281
800 R A -0.9676
801 R A 0.0000
802 D A 0.0000
803 L A 0.0000
804 S A 0.0000
805 N A 0.0000
806 W A 0.0000
807 D A -1.6204
808 R A -2.4307
809 A A -1.1388
810 A A -0.8608
811 Q A -1.2245
812 D A -0.8473
813 W A 0.0000
814 V A -0.2687
815 I A -0.7234
816 N A -1.7207
817 D A -2.8590
818 E A -2.5739
819 P A -1.8131
820 K A 0.0000
821 K A -1.3651
822 V A 0.0000
823 H A -0.7358
824 V A 0.0000
825 G A 0.0000
826 S A -0.4663
827 S A 0.0000
828 S A 0.0000
829 R A -1.2485
830 Q A -1.1705
831 L A -0.6483
832 P A -0.7413
833 L A -0.5391
834 H A -1.1874
835 A A -0.7178
836 A A -0.6945
837 L A -0.9495
838 P A -1.4105
839 K A -2.5609
840 V A 0.0000
841 Q A -1.7127
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Laboratory of Theory of Biopolymers 2018