Project name: cb972804c4b52ec

Status: done

Started: 2026-02-20 13:01:22
Settings
Chain sequence(s) A: MAPHRPAPALLCALSLALCALSLPVRAATASRGASQAGAPQGRVPEARPNSMVVEHPEFLKAGKEPGLQIWRVEKFDLVPVPTNLYGDFFTGDAYVILKTVQLRNGNLQYDLHYWLGNECSQDESGAAAIFTVQLDDYLNGRAVQHREVQGFESATFLGYFKSGLKYKKGGVASGFKHVVPNEVVVQRLFQVKGRRVVRATEVPVSWESFNNGDCFILDLGNNIHQWCGSNSNRYERLKATQVSKGIRDNERSGRARVHVSEEGTEPEAMLQVLGPKPALPAGTEDTAKEDAANRKLAKLYKVSNGAGTMSVSLVADENPFAQGALKSEDCFILDHGKDGKIFVWKGKQANTEERKAALKTASDFITKMDYPKQTQVSVLPEGGETPLFKQFFKNWRDPDQTDGLGLSYLSSHIANVERVPFDAATLHTSTAMAAQHGMDDDGTGQKQIWRIEGSNKVPVDPATYGQFYGGDSYIILYNYRHGGRQGQIIYNWQGAQSTQDEVAASAILTAQLDEELGGTPVQVLPKAGALNSNDAFVLKTPSAAYLWVGTGASEAEKTGAQELLRVLRAQPVQVAEGSEPDGFWEALGGKAAYRTSPRLKDKKMDAHPPRLFACSNKIGRFVIEEVPGELMQEDLATDDVMLLDTWDQVFVWVGKDSQEEEKTEALTSAKRYIETDPANRDRRTPITVVKQGFEPPSFVGWFLGWDDDYWSVDPLDRAMAELAA
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                                          (00:17:50)
[INFO]       Main:     Simulation completed successfully.                                          (00:18:00)
Show buried residues

Minimal score value
-4.3873
Maximal score value
2.8462
Average score
-0.7732
Total score value
-560.599

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 1.0292
2 A A 0.2443
3 P A -0.9414
4 H A -2.0712
5 R A -2.5342
6 P A -1.3763
7 A A -0.5103
8 P A 0.1185
9 A A 1.2443
10 L A 2.5025
11 L A 2.8462
12 C A 2.4777
13 A A 2.0712
14 L A 2.4935
15 S A 1.6814
16 L A 2.6927
17 A A 2.2548
18 L A 2.7689
19 C A 2.2396
20 A A 2.0109
21 L A 2.2991
22 S A 1.5708
23 L A 1.9625
24 P A 1.1015
25 V A 1.0413
26 R A -0.8154
27 A A -0.3956
28 A A -0.2479
29 T A -0.2530
30 A A -0.4591
31 S A -1.2390
32 R A -2.1615
33 G A -1.4480
34 A A -0.9257
35 S A -0.8804
36 Q A -1.3624
37 A A -0.8109
38 G A -0.8321
39 A A -0.5155
40 P A -1.2210
41 Q A -2.0635
42 G A -1.6584
43 R A -1.8596
44 V A 0.1775
45 P A -0.9896
46 E A -2.2701
47 A A -1.7895
48 R A -2.8574
49 P A -1.8846
50 N A -1.2977
51 S A -0.0468
52 M A 1.2493
53 V A 1.4630
54 V A 0.7066
55 E A -0.6802
56 H A -0.7648
57 P A -0.7657
58 E A 0.0000
59 F A 0.0000
60 L A -0.4906
61 K A -1.3572
62 A A 0.0000
63 G A 0.0000
64 K A -2.2428
65 E A -1.8224
66 P A -1.2561
67 G A -0.9270
68 L A -0.1086
69 Q A -0.3343
70 I A 0.0000
71 W A 0.0000
72 R A -0.3784
73 V A 0.0000
74 E A -0.8963
75 K A -1.0808
76 F A 0.6058
77 D A -0.7645
78 L A 0.0000
79 V A 0.0787
80 P A -0.1260
81 V A 0.0533
82 P A -0.4983
83 T A -0.3534
84 N A -1.0804
85 L A -0.1210
86 Y A 0.2951
87 G A 0.0000
88 D A -0.1278
89 F A 0.0000
90 F A -0.7584
91 T A 0.0000
92 G A -1.4668
93 D A 0.0000
94 A A 0.0000
95 Y A 0.0000
96 V A 0.0000
97 I A 0.0000
98 L A 0.0000
99 K A -0.5456
100 T A 0.0000
101 V A 0.0000
102 Q A -1.4793
103 L A -1.4665
104 R A -2.6747
105 N A -2.0773
106 G A -1.6999
107 N A -1.5597
108 L A -1.2470
109 Q A -0.7669
110 Y A 0.0000
111 D A -0.5617
112 L A 0.0000
113 H A 0.0000
114 Y A 0.0000
115 W A 0.0000
116 L A -0.5523
117 G A 0.0000
118 N A -2.1774
119 E A -2.7453
120 C A -1.5100
121 S A -1.0753
122 Q A -1.5633
123 D A -0.5447
124 E A 0.0000
125 S A -0.3607
126 G A 0.2183
127 A A 0.0000
128 A A 0.0000
129 A A 0.7620
130 I A 2.0952
131 F A 0.0000
132 T A 0.0000
133 V A 0.1886
134 Q A -0.0707
135 L A 0.0000
136 D A 0.0000
137 D A -2.0834
138 Y A -0.5775
139 L A -1.2570
140 N A -2.0986
141 G A -2.1090
142 R A -1.9098
143 A A 0.0000
144 V A 0.0000
145 Q A 0.0000
146 H A 0.0000
147 R A -0.2254
148 E A 0.0000
149 V A 0.0000
150 Q A -0.4133
151 G A 0.0080
152 F A 0.9313
153 E A 0.0000
154 S A 0.0000
155 A A 0.2263
156 T A 0.0654
157 F A 0.0000
158 L A 0.2024
159 G A -0.1441
160 Y A -0.0272
161 F A 0.0000
162 K A -0.7971
163 S A -0.7000
164 G A -0.5973
165 L A 0.0000
166 K A -0.3474
167 Y A 0.0000
168 K A -0.8319
169 K A -1.5928
170 G A -1.2629
171 G A -0.8737
172 V A -0.4084
173 A A -0.1032
174 S A -0.5122
175 G A -0.4878
176 F A 0.4553
177 K A -1.0334
178 H A -0.3185
179 V A 1.8008
180 V A 1.8137
181 P A 0.1302
182 N A -1.3011
183 E A -0.8915
184 V A 1.5140
185 V A 2.0601
186 V A 1.1358
187 Q A 0.2550
188 R A -0.3869
189 L A 0.0000
190 F A 0.0000
191 Q A -0.4574
192 V A 0.0000
193 K A -0.9939
194 G A -0.9550
195 R A -0.9995
196 R A -0.7367
197 V A -0.2908
198 V A 0.0000
199 R A -0.8737
200 A A 0.0000
201 T A -0.5363
202 E A 0.0000
203 V A -0.3047
204 P A -0.5324
205 V A -0.0263
206 S A -0.5051
207 W A 0.0000
208 E A -1.8994
209 S A -0.9072
210 F A 0.0000
211 N A -0.8830
212 N A -1.0135
213 G A -1.2232
214 D A 0.0000
215 C A 0.0000
216 F A 0.0000
217 I A 0.0000
218 L A 0.0000
219 D A 0.0000
220 L A -0.1800
221 G A -0.7848
222 N A -2.2431
223 N A -1.7354
224 I A 0.0000
225 H A 0.0000
226 Q A 0.0000
227 W A 0.0000
228 C A 0.0000
229 G A 0.0000
230 S A -1.4667
231 N A -1.7071
232 S A -1.4204
233 N A -1.0584
234 R A -1.0916
235 Y A -0.4147
236 E A 0.0000
237 R A -0.4365
238 L A -0.3194
239 K A -0.7248
240 A A 0.0000
241 T A 0.0000
242 Q A -0.8271
243 V A -0.5237
244 S A 0.0000
245 K A -1.1477
246 G A -1.2858
247 I A 0.0000
248 R A -2.5138
249 D A -1.9856
250 N A -2.2130
251 E A -2.7646
252 R A -2.6495
253 S A -1.9224
254 G A -2.4437
255 R A -3.1908
256 A A 0.0000
257 R A -2.7131
258 V A -1.1837
259 H A -0.3999
260 V A 0.0483
261 S A -0.7121
262 E A -1.7603
263 E A -1.7464
264 G A -1.3125
265 T A -1.1501
266 E A -1.2066
267 P A -1.2378
268 E A -1.9259
269 A A -0.9955
270 M A 0.0000
271 L A -0.6889
272 Q A -1.1590
273 V A -0.0925
274 L A -0.2398
275 G A -0.5551
276 P A -0.6203
277 K A -1.0469
278 P A -0.8155
279 A A -0.4191
280 L A -0.5680
281 P A -0.5337
282 A A -0.7004
283 G A -1.2698
284 T A -1.5933
285 E A -2.6640
286 D A -2.8788
287 T A -2.3377
288 A A -2.3353
289 K A -3.1318
290 E A -3.6003
291 D A -3.2085
292 A A -1.7771
293 A A -1.6821
294 N A -2.1607
295 R A -1.9659
296 K A -2.0119
297 L A -1.2090
298 A A 0.0000
299 K A -1.3184
300 L A 0.0000
301 Y A 0.0000
302 K A -0.2622
303 V A 0.0000
304 S A -0.8985
305 N A -1.1144
306 G A -0.7669
307 A A -0.4941
308 G A -0.6708
309 T A -0.3206
310 M A -0.2403
311 S A -0.1865
312 V A 0.4562
313 S A 0.5609
314 L A 0.9016
315 V A 0.4801
316 A A -0.9915
317 D A -2.2756
318 E A -2.8536
319 N A -2.1160
320 P A -1.9585
321 F A 0.0000
322 A A -1.0845
323 Q A -1.5660
324 G A -1.0807
325 A A -0.5995
326 L A 0.0000
327 K A -2.7177
328 S A -2.8067
329 E A -3.5873
330 D A -2.7060
331 C A 0.0000
332 F A 0.0000
333 I A 0.0000
334 L A 0.0000
335 D A 0.0000
336 H A 0.0000
337 G A 0.0000
338 K A -2.5620
339 D A -2.7393
340 G A -1.6954
341 K A -1.0869
342 I A 0.0000
343 F A 0.0000
344 V A 0.0000
345 W A 0.0000
346 K A -1.8964
347 G A 0.0000
348 K A -3.4450
349 Q A -3.5255
350 A A 0.0000
351 N A -3.1787
352 T A -2.3773
353 E A -2.8188
354 E A 0.0000
355 R A -2.7558
356 K A -2.4273
357 A A -1.7145
358 A A 0.0000
359 L A -1.0013
360 K A -2.3937
361 T A 0.0000
362 A A 0.0000
363 S A -2.0540
364 D A -2.9718
365 F A 0.0000
366 I A 0.0000
367 T A -2.4561
368 K A -2.7211
369 M A -1.9037
370 D A -2.7152
371 Y A 0.0000
372 P A -1.7590
373 K A -2.3657
374 Q A -1.4415
375 T A 0.0000
376 Q A -0.7002
377 V A 0.0000
378 S A 0.0000
379 V A 0.0000
380 L A 0.0000
381 P A -1.1777
382 E A -1.7067
383 G A -1.2892
384 G A -0.7736
385 E A 0.0000
386 T A -0.1899
387 P A -0.2680
388 L A 0.0048
389 F A 0.0000
390 K A -1.0995
391 Q A -1.1779
392 F A 0.0000
393 F A 0.0000
394 K A -2.7454
395 N A -2.7404
396 W A -2.0873
397 R A -2.8088
398 D A -2.4057
399 P A -1.9935
400 D A -2.8993
401 Q A -2.6610
402 T A -2.0415
403 D A -2.2517
404 G A -0.8219
405 L A 0.8369
406 G A 0.5273
407 L A 1.5878
408 S A 1.3742
409 Y A 2.2313
410 L A 2.0093
411 S A 0.5126
412 S A -0.0946
413 H A -0.1258
414 I A 1.2846
415 A A 0.3748
416 N A -0.4581
417 V A 0.2570
418 E A -1.6861
419 R A -1.7158
420 V A 0.3312
421 P A -0.5902
422 F A -0.3098
423 D A -0.6769
424 A A 0.0000
425 A A -0.8842
426 T A -0.5521
427 L A 0.0000
428 H A -0.4009
429 T A -0.3218
430 S A -0.2459
431 T A -0.0529
432 A A -0.0708
433 M A -0.3220
434 A A -0.4758
435 A A -0.8573
436 Q A -1.3120
437 H A -1.4349
438 G A -0.9797
439 M A -0.5739
440 D A -1.5845
441 D A -2.0471
442 D A -2.5119
443 G A -2.0361
444 T A -1.7870
445 G A 0.0000
446 Q A -1.8776
447 K A -1.2794
448 Q A -1.3361
449 I A 0.0000
450 W A 0.0000
451 R A -1.2668
452 I A 0.0000
453 E A -1.8773
454 G A -1.6542
455 S A -1.4339
456 N A -2.0786
457 K A -1.4184
458 V A -0.8187
459 P A -1.0644
460 V A -1.2616
461 D A -1.9473
462 P A -1.5548
463 A A -1.1612
464 T A -1.2598
465 Y A 0.0000
466 G A 0.0000
467 Q A -1.1966
468 F A -0.2135
469 Y A 0.4503
470 G A -0.0100
471 G A -0.3971
472 D A -0.6897
473 S A 0.0000
474 Y A 0.0000
475 I A 0.0000
476 I A 0.0000
477 L A -0.5519
478 Y A 0.0000
479 N A -1.4925
480 Y A 0.0000
481 R A -4.2450
482 H A -3.6112
483 G A -2.3710
484 G A -2.5357
485 R A -3.6218
486 Q A -3.3513
487 G A 0.0000
488 Q A -1.0719
489 I A -0.0827
490 I A 0.0000
491 Y A -0.1199
492 N A -0.4547
493 W A 0.0000
494 Q A -0.9849
495 G A 0.0000
496 A A -0.7411
497 Q A -1.2690
498 S A -1.1315
499 T A -1.3905
500 Q A -1.5498
501 D A -1.8509
502 E A -1.6210
503 V A -0.7838
504 A A -0.6838
505 A A 0.0000
506 S A 0.0000
507 A A -0.3276
508 I A -0.2604
509 L A -0.5595
510 T A 0.0000
511 A A -1.4261
512 Q A -1.8819
513 L A -1.3291
514 D A -2.0093
515 E A -3.0312
516 E A -2.4754
517 L A -0.2983
518 G A -0.3992
519 G A -0.3234
520 T A -0.1457
521 P A 0.2502
522 V A 1.3340
523 Q A 0.1221
524 V A 0.8301
525 L A 0.9037
526 P A -0.1109
527 K A -1.0015
528 A A 0.0000
529 G A -0.4461
530 A A -0.0211
531 L A 0.0000
532 N A -0.6585
533 S A 0.0000
534 N A -1.6051
535 D A -1.5402
536 A A -1.0601
537 F A -0.1116
538 V A -0.1074
539 L A 0.0000
540 K A -1.4898
541 T A -0.6763
542 P A -0.5745
543 S A -0.5037
544 A A -0.3639
545 A A 0.0000
546 Y A 0.0000
547 L A 0.0000
548 W A 0.0000
549 V A -0.7388
550 G A 0.0000
551 T A -0.9476
552 G A 0.0000
553 A A -1.7401
554 S A -2.0521
555 E A -2.3959
556 A A -1.7476
557 E A -1.9167
558 K A -1.8270
559 T A -1.7114
560 G A -1.4291
561 A A 0.0000
562 Q A -2.0184
563 E A -2.0784
564 L A -1.2421
565 L A 0.0000
566 R A -2.9502
567 V A 0.0000
568 L A -2.0255
569 R A -2.9737
570 A A -1.9635
571 Q A -1.9367
572 P A -0.8330
573 V A 0.8793
574 Q A -0.5686
575 V A 0.0000
576 A A -0.3117
577 E A -0.6091
578 G A -0.7091
579 S A -0.9333
580 E A -1.1299
581 P A -1.2706
582 D A -2.7491
583 G A -1.8500
584 F A 0.0000
585 W A 0.0000
586 E A -3.0113
587 A A -1.9195
588 L A 0.0000
589 G A -1.8019
590 G A -2.3114
591 K A -2.5714
592 A A -0.9969
593 A A -0.3008
594 Y A -0.3003
595 R A 0.0000
596 T A -0.4355
597 S A -0.7407
598 P A -1.0221
599 R A -1.7490
600 L A 0.0000
601 K A -2.0220
602 D A -2.6176
603 K A -3.1376
604 K A -3.1749
605 M A -2.1268
606 D A -1.7829
607 A A -1.1726
608 H A -0.9392
609 P A -0.6328
610 P A -0.4466
611 R A -0.4743
612 L A 0.0000
613 F A 0.0000
614 A A 0.0000
615 C A 0.0000
616 S A 0.0000
617 N A -2.2195
618 K A -2.2630
619 I A -1.6562
620 G A -1.4599
621 R A -1.7621
622 F A 0.0000
623 V A -0.7817
624 I A 0.0000
625 E A -1.0716
626 E A -0.9758
627 V A -0.5583
628 P A -0.5035
629 G A -0.6619
630 E A -0.7905
631 L A 0.0000
632 M A -0.3222
633 Q A 0.0000
634 E A -1.8992
635 D A -1.3010
636 L A 0.0000
637 A A -1.1813
638 T A -1.8028
639 D A -2.2950
640 D A 0.0000
641 V A 0.0000
642 M A 0.0000
643 L A 0.0000
644 L A 0.0000
645 D A 0.0000
646 T A 0.0000
647 W A -0.4521
648 D A -1.0148
649 Q A -0.6281
650 V A 0.0000
651 F A 0.0000
652 V A 0.0000
653 W A 0.0000
654 V A 0.0000
655 G A 0.0000
656 K A -3.1773
657 D A -3.3754
658 S A -3.1454
659 Q A -3.9104
660 E A -3.8864
661 E A -3.6180
662 E A 0.0000
663 K A -2.3944
664 T A -1.8258
665 E A -1.6240
666 A A 0.0000
667 L A -0.5698
668 T A -1.1798
669 S A 0.0000
670 A A 0.0000
671 K A -3.0606
672 R A -3.3035
673 Y A 0.0000
674 I A 0.0000
675 E A -3.4562
676 T A -1.9867
677 D A -1.7074
678 P A -1.5063
679 A A -1.4111
680 N A -1.9868
681 R A 0.0000
682 D A -3.3403
683 R A -4.3873
684 R A -3.5447
685 T A 0.0000
686 P A -1.1130
687 I A -0.0162
688 T A 0.3915
689 V A 0.4536
690 V A 0.0000
691 K A -0.9569
692 Q A 0.0000
693 G A -0.7501
694 F A 0.9683
695 E A 0.0473
696 P A 0.0391
697 P A -0.0163
698 S A -0.2122
699 F A 0.0000
700 V A 0.0000
701 G A 0.0000
702 W A 0.2450
703 F A 0.0000
704 L A 1.6236
705 G A 0.3199
706 W A -0.9321
707 D A -2.6720
708 D A -3.2713
709 D A -3.0651
710 Y A 0.0000
711 W A -1.2946
712 S A -1.0090
713 V A -0.3313
714 D A -1.0947
715 P A -1.2072
716 L A -1.2366
717 D A -2.1926
718 R A -1.8174
719 A A -1.2334
720 M A -0.8921
721 A A -1.0945
722 E A -1.4875
723 L A -0.8597
724 A A -0.3160
725 A A -0.4534
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Laboratory of Theory of Biopolymers 2018