Project name: de78c87c6356579

Status: done

Started: 2026-02-20 11:14:15
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                                          (00:17:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:17:56)
Show buried residues

Minimal score value
-4.57
Maximal score value
2.7855
Average score
-0.9171
Total score value
-664.8647

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 1.0231
2 A A 0.2417
3 P A -0.8434
4 H A -2.0743
5 R A -2.5114
6 P A -1.5267
7 A A -0.6003
8 P A 0.0881
9 A A 1.1831
10 L A 2.5225
11 L A 2.7855
12 C A 2.2816
13 A A 1.5210
14 L A 1.9581
15 S A 1.3760
16 L A 2.1345
17 A A 1.7980
18 L A 2.3143
19 C A 1.9437
20 A A 1.6048
21 L A 1.9356
22 S A 1.5931
23 L A 1.8805
24 P A 1.1962
25 V A 1.1138
26 R A -0.8124
27 A A -0.4174
28 A A -0.3221
29 T A -0.0505
30 A A -0.5008
31 S A -1.1888
32 R A -2.1481
33 G A -1.4332
34 A A -0.9455
35 S A -0.8811
36 Q A -1.3623
37 A A -0.8310
38 G A -0.8527
39 A A -0.6109
40 P A -1.2991
41 Q A -1.8045
42 G A -1.5867
43 R A -1.7931
44 V A 0.0745
45 P A -1.0283
46 E A -2.1835
47 A A -1.8142
48 R A -2.8105
49 P A -1.8427
50 N A -1.3717
51 S A 0.1203
52 M A 1.5769
53 V A 2.0232
54 V A 1.8538
55 E A -0.2484
56 H A -0.5631
57 P A -0.6297
58 E A 0.0000
59 F A 0.0000
60 L A -0.5547
61 K A -1.6505
62 A A 0.0000
63 G A 0.0000
64 K A -2.8027
65 E A -3.0367
66 P A -1.6925
67 G A -1.0044
68 L A -0.2641
69 Q A -0.6318
70 I A 0.0000
71 W A 0.0000
72 R A -0.8540
73 V A 0.0000
74 E A -1.2910
75 K A -1.7394
76 F A 0.1252
77 D A -0.9883
78 L A 0.0000
79 V A -0.3473
80 P A -0.4252
81 V A 0.0000
82 P A -0.4117
83 T A -0.5090
84 N A -1.0490
85 L A -0.3204
86 Y A -0.1906
87 G A 0.0000
88 D A -0.8077
89 F A 0.0000
90 F A -1.1910
91 T A 0.0000
92 G A -1.5071
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 -0.7856
100 T A 0.0000
101 V A -0.8796
102 Q A -2.1051
103 L A -1.8233
104 R A -2.7517
105 N A -2.6406
106 G A -2.1341
107 N A -1.7620
108 L A -1.7782
109 Q A -1.0302
110 Y A -0.8101
111 D A -0.5280
112 L A 0.0000
113 H A 0.0000
114 Y A 0.0000
115 W A 0.0000
116 L A -0.7222
117 G A 0.0000
118 N A -2.2561
119 E A -2.8394
120 C A -1.7983
121 S A -1.9720
122 Q A -2.4428
123 D A -2.4664
124 E A -1.5837
125 S A -0.7568
126 G A -0.6380
127 A A 0.0000
128 A A 0.0000
129 A A 0.1385
130 I A 1.2779
131 F A 0.0000
132 T A 0.0000
133 V A -0.1984
134 Q A -0.4420
135 L A 0.0000
136 D A 0.0000
137 D A -2.2308
138 Y A -0.6905
139 L A -1.3462
140 N A -2.2815
141 G A -2.4847
142 R A -2.6364
143 A A 0.0000
144 V A 0.0000
145 Q A 0.0000
146 H A 0.0000
147 R A -0.3263
148 E A 0.0000
149 V A 0.0000
150 Q A -0.5664
151 G A -0.1794
152 F A 0.6822
153 E A 0.3059
154 S A 0.2203
155 A A 0.4262
156 T A 0.1839
157 F A 0.0000
158 L A 0.6259
159 G A -0.1547
160 Y A -0.0889
161 F A 0.0000
162 K A -1.8819
163 S A -1.9342
164 G A -1.7212
165 L A -0.9332
166 K A -1.9501
167 Y A -1.0488
168 K A -1.6472
169 K A -2.3961
170 G A -1.5532
171 G A -0.9848
172 V A -0.2275
173 A A -0.1429
174 S A -0.3734
175 G A -0.2124
176 F A 0.9654
177 K A -0.6906
178 H A -0.1355
179 V A 1.7248
180 V A 1.4610
181 P A 0.1916
182 N A -0.9979
183 E A -0.9192
184 V A 1.3846
185 V A 1.7882
186 V A 0.7803
187 Q A -0.2270
188 R A -0.7112
189 L A 0.0000
190 F A -0.8010
191 Q A -0.9440
192 V A 0.0000
193 K A -1.5555
194 G A -1.7480
195 R A -2.6636
196 R A -1.7652
197 V A -0.0031
198 V A -1.0072
199 R A -2.0982
200 A A -1.3754
201 T A -1.3680
202 E A -1.8929
203 V A -0.9066
204 P A -0.7873
205 V A -0.2904
206 S A -0.5077
207 W A 0.0000
208 E A -1.9009
209 S A -1.0769
210 F A 0.0000
211 N A -0.8572
212 N A -0.8685
213 G A -1.1820
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 -0.2627
221 G A -0.9362
222 N A -2.1836
223 N A -1.9176
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 -1.4626
231 N A -1.7044
232 S A -1.3979
233 N A -1.2612
234 R A -1.2013
235 Y A -0.7077
236 E A 0.0000
237 R A -0.7182
238 L A -0.6199
239 K A -1.0894
240 A A 0.0000
241 T A 0.0000
242 Q A -1.3104
243 V A -0.8570
244 S A 0.0000
245 K A -2.0939
246 G A -1.8111
247 I A 0.0000
248 R A -3.0571
249 D A -2.9221
250 N A -3.3743
251 E A -3.4166
252 R A -3.0742
253 S A -2.3447
254 G A -2.9952
255 R A -3.4452
256 A A 0.0000
257 R A -2.9508
258 V A 0.0000
259 H A -0.2575
260 V A 0.5506
261 S A -0.4769
262 E A -1.6324
263 E A -1.7859
264 G A -1.3444
265 T A -1.1140
266 E A -1.2135
267 P A -1.2209
268 E A -2.0383
269 A A -1.0997
270 M A 0.0000
271 L A -0.9397
272 Q A -1.2760
273 V A -0.2386
274 L A -0.3302
275 G A -0.6540
276 P A -0.8931
277 K A -1.1081
278 P A -0.8204
279 A A -0.3771
280 L A -0.5251
281 P A -0.5105
282 A A -0.6790
283 G A -1.2503
284 T A -1.5601
285 E A -2.7543
286 D A -3.7299
287 T A -2.4422
288 A A -2.2703
289 K A -3.3897
290 E A -4.0367
291 D A -3.8603
292 A A -2.8419
293 A A -2.6269
294 N A -3.5369
295 R A -3.5957
296 K A -3.3708
297 L A -2.4403
298 A A 0.0000
299 K A -1.5880
300 L A 0.0000
301 Y A 0.0000
302 K A -0.1757
303 V A 0.0000
304 S A -0.7573
305 N A -1.0198
306 G A -0.8596
307 A A -0.5081
308 G A -0.6845
309 T A -0.3750
310 M A -0.1765
311 S A -0.1642
312 V A 0.5272
313 S A 0.5334
314 L A 0.8688
315 V A 0.4557
316 A A -1.0222
317 D A -2.6417
318 E A -3.4413
319 N A -2.7413
320 P A -2.5684
321 F A 0.0000
322 A A -1.0468
323 Q A -1.6707
324 G A -1.0041
325 A A -0.5535
326 L A -1.0831
327 K A -2.5235
328 S A -2.5364
329 E A -3.0320
330 D A -2.3228
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 -1.6023
337 G A 0.0000
338 K A -2.5004
339 D A -2.4256
340 G A -1.6810
341 K A -1.1643
342 I A 0.0000
343 F A 0.0000
344 V A 0.0000
345 W A 0.0000
346 K A 0.0000
347 G A 0.0000
348 K A -3.4067
349 Q A -3.1680
350 A A 0.0000
351 N A -2.5582
352 T A -2.0928
353 E A -2.5981
354 E A 0.0000
355 R A -2.2111
356 K A -2.2770
357 A A -1.6814
358 A A 0.0000
359 L A -1.1293
360 K A -2.3001
361 T A -1.5439
362 A A 0.0000
363 S A -2.0981
364 D A -2.9456
365 F A 0.0000
366 I A 0.0000
367 T A -2.4287
368 K A -2.6915
369 M A -1.7019
370 D A -2.6883
371 Y A 0.0000
372 P A -1.7704
373 K A -2.3690
374 Q A -1.5631
375 T A 0.0000
376 Q A -0.8287
377 V A 0.0000
378 S A 0.0000
379 V A 0.0000
380 L A 0.0000
381 P A -1.3068
382 E A -1.7902
383 G A -1.7554
384 G A -1.1428
385 E A -0.6337
386 T A -0.2320
387 P A -0.2438
388 L A 0.4699
389 F A 0.0000
390 K A -1.5716
391 Q A -1.6617
392 F A 0.0000
393 F A 0.0000
394 K A -2.7055
395 N A -2.8069
396 W A -2.4771
397 R A -3.2698
398 D A -3.2524
399 P A -2.5152
400 D A -3.4141
401 Q A -3.3818
402 T A -2.1646
403 D A -2.7078
404 G A -0.8568
405 L A 1.1063
406 G A 0.8136
407 L A 2.1351
408 S A 1.6083
409 Y A 2.2341
410 L A 2.0382
411 S A 0.5417
412 S A 0.2624
413 H A -0.1157
414 I A 1.4807
415 A A 0.4421
416 N A -0.7367
417 V A 0.3896
418 E A -1.7427
419 R A -1.3121
420 V A 0.8028
421 P A 0.3292
422 F A 1.2799
423 D A -0.4116
424 A A 0.0582
425 A A -0.0741
426 T A 0.1685
427 L A 0.9522
428 H A -0.2524
429 T A -0.3251
430 S A -0.0255
431 T A -0.2607
432 A A 0.0039
433 M A -0.1439
434 A A -0.6604
435 A A 0.0000
436 Q A -1.4083
437 H A -1.5907
438 G A -1.2727
439 M A -0.7663
440 D A -1.1496
441 D A -1.9046
442 D A -2.4271
443 G A -1.8891
444 T A -1.5658
445 G A -2.0633
446 Q A -2.1399
447 K A -1.6431
448 Q A -1.3767
449 I A 0.0000
450 W A -0.9002
451 R A -1.3491
452 I A 0.0000
453 E A -2.4807
454 G A -2.1874
455 S A -1.4834
456 N A -2.1510
457 K A -1.4425
458 V A -0.9941
459 P A -0.9616
460 V A 0.0000
461 D A -1.9513
462 P A -1.2467
463 A A -0.6604
464 T A -0.4337
465 Y A -0.5322
466 G A 0.0452
467 Q A 0.2865
468 F A 0.4672
469 Y A 0.8367
470 G A 0.0497
471 G A -0.6376
472 D A -0.9487
473 S A 0.0000
474 Y A 0.0000
475 I A 0.0000
476 I A 0.0000
477 L A -0.4718
478 Y A 0.0000
479 N A -1.9225
480 Y A -2.6110
481 R A -3.8871
482 H A -2.8577
483 G A -2.0003
484 G A -2.3304
485 R A -3.1215
486 Q A -3.2231
487 G A -1.7159
488 Q A -1.0569
489 I A -0.1503
490 I A 0.0000
491 Y A 0.1773
492 N A 0.0000
493 W A 0.0000
494 Q A -0.1001
495 G A 0.0000
496 A A -0.1405
497 Q A -1.3311
498 S A -1.3635
499 T A -1.7185
500 Q A -2.1758
501 D A -2.4983
502 E A -1.9467
503 V A -0.7029
504 A A -0.2675
505 A A -0.4537
506 S A 0.0000
507 A A 0.6722
508 I A 1.5567
509 L A 0.1440
510 T A -0.3968
511 A A -0.8729
512 Q A -1.8438
513 L A -1.6594
514 D A -2.4509
515 E A -3.2296
516 E A -3.0481
517 L A -1.4885
518 G A -1.6404
519 G A -0.4459
520 T A 0.2363
521 P A 0.2009
522 V A 1.0148
523 Q A -0.0356
524 V A 0.8215
525 L A 0.5143
526 P A -0.4311
527 K A -1.7264
528 A A 0.0000
529 G A -1.2755
530 A A -0.5584
531 L A 0.0000
532 N A -1.1217
533 S A 0.0000
534 N A -1.6507
535 D A -1.3427
536 A A -0.9231
537 F A -0.0236
538 V A 0.2638
539 L A -0.0060
540 K A -1.3580
541 T A -0.7628
542 P A -0.6706
543 S A -0.5575
544 A A -0.4340
545 A A 0.0000
546 Y A 0.1132
547 L A 0.0000
548 W A 0.0000
549 V A -0.7141
550 G A 0.0000
551 T A -0.7993
552 G A -1.8343
553 A A -1.4511
554 S A -1.6206
555 E A -2.4114
556 A A -1.7573
557 E A -2.1608
558 K A -2.1474
559 T A -1.8973
560 G A -1.9015
561 A A 0.0000
562 Q A -2.1274
563 E A -2.5002
564 L A -0.9238
565 L A 0.0000
566 R A -2.3800
567 V A -0.0449
568 L A -0.9106
569 R A -2.1605
570 A A -1.5706
571 Q A -1.8617
572 P A -0.6892
573 V A 0.9765
574 Q A -0.5108
575 V A 0.0000
576 A A -0.4114
577 E A -0.7729
578 G A -0.7791
579 S A -0.9772
580 E A -1.3507
581 P A -1.2900
582 D A -2.7581
583 G A -1.8173
584 F A 0.0000
585 W A 0.0000
586 E A -2.8610
587 A A -1.9008
588 L A -1.8580
589 G A -1.8678
590 G A -2.3659
591 K A -2.6077
592 A A -1.2871
593 A A -0.6428
594 Y A -1.1922
595 R A -1.8825
596 T A -1.5353
597 S A -1.7743
598 P A -2.0143
599 R A -3.4648
600 L A -2.9264
601 K A -3.8589
602 D A -4.5700
603 K A -4.0891
604 K A -3.8537
605 M A -1.4908
606 D A -2.6552
607 A A -1.6876
608 H A -1.2925
609 P A -0.8964
610 P A -1.0642
611 R A -1.7856
612 L A 0.0000
613 F A -1.2174
614 A A -0.7757
615 C A 0.0000
616 S A -1.0945
617 N A -1.7240
618 K A -1.0909
619 I A 0.5977
620 G A -0.7604
621 R A -1.4736
622 F A -0.7699
623 V A -0.1861
624 I A -0.4008
625 E A -2.2027
626 E A -2.7655
627 V A 0.0000
628 P A -1.7431
629 G A -1.7909
630 E A -1.8334
631 L A 0.0000
632 M A -0.3475
633 Q A 0.0000
634 E A -1.8691
635 D A -1.6355
636 L A 0.0000
637 A A 0.0000
638 T A -1.7737
639 D A -2.1040
640 D A -1.5550
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 -0.9294
647 W A -0.9094
648 D A -2.4063
649 Q A -1.3746
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 -3.1149
657 D A -3.3173
658 S A -3.1081
659 Q A -3.6094
660 E A -3.7725
661 E A -3.5059
662 E A 0.0000
663 K A -2.1785
664 T A -1.8836
665 E A -1.9438
666 A A 0.0000
667 L A -0.5237
668 T A -1.1601
669 S A -1.2875
670 A A 0.0000
671 K A -2.9822
672 R A -3.1864
673 Y A -1.8575
674 I A 0.0000
675 E A -3.9305
676 T A -2.1515
677 D A -1.7960
678 P A -0.9746
679 A A -1.0264
680 N A -2.1460
681 R A 0.0000
682 D A -3.0078
683 R A -4.2485
684 R A -3.3697
685 T A -2.3566
686 P A -1.0086
687 I A -0.2811
688 T A 0.3163
689 V A 0.5080
690 V A 0.0000
691 K A -0.9196
692 Q A 0.0000
693 G A -0.3157
694 F A 0.8909
695 E A 0.1967
696 P A 0.0225
697 P A 0.0000
698 S A 0.0000
699 F A 0.0000
700 V A 0.0000
701 G A 0.0911
702 W A 0.0798
703 F A 0.0000
704 L A 1.2018
705 G A 0.0418
706 W A -1.1834
707 D A -2.8395
708 D A -3.0884
709 D A -2.8986
710 Y A -1.9271
711 W A -0.9775
712 S A -0.8043
713 V A -0.4524
714 D A -1.3194
715 P A -1.0452
716 L A -1.3263
717 D A -2.2668
718 R A -1.8672
719 A A 0.0000
720 M A -1.1297
721 A A -1.3013
722 E A -2.0602
723 L A -1.2096
724 A A -0.5280
725 A A -0.4231
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Laboratory of Theory of Biopolymers 2018