Project name: b59083d50764a2

Status: done

Started: 2026-06-20 09:21:47
Settings
Chain sequence(s) A: MRISPPEREAKKVKIVIDKDPVSTSFDKWAVPGHFSRTLAKGPKTTTWIWNLHADVHDFDSYTSDLEEVSRKIFSAHFGHLAVVFIWLSGAYFHGARFSNYEAWLSNPTTIKPSAQVVWPIVGQEILNGDVGGGFQGIQITSGLFQMWRASGITTELQLYVTAIGALVMAALMLFAGWFHYHKAAPKLEWFQNAESMMNHHLGGLFGLGSLSWAGHQIHVSLPVNKLLDSGVSPQEIPLPHEFILNKDLIAQLYPSFGQGLTPFFTLNWNEYSDFLTFKGGLNPVTGGLWLSDSAHHHLAIAVLFIVAGHMYRTNWGIGHSMKEMYDSHKGPFTGEGHKGVYEIFTNSWHAQLSLNLALFGSLSIIVAHHMYSMPPYPYLATDYATSLCLFTHHVWIGGFLIVGAGAHAAIFMVRDYDPAQNYNNLVDRVLRHRDAIISHLNWVCIFLGFHSFGLYIHNDTMRALGRPQDMFSDAAIQLQPVFAQWVQGVNSAAAGNTAPNALANASYAFGGDIVSVGGKVAMMPISLGTADFLVHHIHAFTIHVTVLILLKGVLFARNSRLIPDKANLGFRFPCDGPGRGGTCQVSAWDHVFLGLFWMYNSLSVVLFHFSWKMQSDVWGNVTADGAVSHITGNNFAQGAITINGWLRDFLWAQASQVIQSYGSALSAYGLMFLGAHFIWAFSLMFLFSGRGYWQELIESIVWAHNKLKFAPSIQPRALSITQGRAVGVAHYLLGGIATTWSFFHARIISVG
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                                          (00:11:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:12:10)
Show buried residues

Minimal score value
-3.8889
Maximal score value
3.7701
Average score
0.0414
Total score value
31.1085

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 0.6956
2 R A -0.4509
3 I A 1.1981
4 S A -0.0893
5 P A -1.0829
6 P A -1.8771
7 E A -3.4621
8 R A -3.8889
9 E A -3.3755
10 A A -2.7454
11 K A -3.4439
12 K A -3.3244
13 V A -1.3663
14 K A -0.5382
15 I A 1.8360
16 V A 0.8783
17 I A -0.0587
18 D A -1.6663
19 K A -2.7724
20 D A -2.8810
21 P A -1.5909
22 V A -0.7289
23 S A -0.4432
24 T A -0.3740
25 S A 0.1072
26 F A 1.1310
27 D A -0.9324
28 K A -0.7844
29 W A 0.8758
30 A A 0.4880
31 V A 0.4982
32 P A 0.1665
33 G A 0.0000
34 H A -0.9434
35 F A -0.2537
36 S A -0.9878
37 R A -2.2356
38 T A -1.4646
39 L A 0.0000
40 A A -1.3672
41 K A -2.4094
42 G A -1.4408
43 P A -1.1654
44 K A -1.9637
45 T A -1.0362
46 T A -0.3336
47 T A -0.0852
48 W A -0.2677
49 I A 0.5418
50 W A 0.5351
51 N A -0.0128
52 L A 0.0243
53 H A -0.6034
54 A A -0.3575
55 D A -0.3659
56 V A -0.0144
57 H A -0.8299
58 D A -0.7330
59 F A -0.4695
60 D A -1.1325
61 S A -0.5236
62 Y A -0.5274
63 T A -0.6652
64 S A -1.0265
65 D A -1.5983
66 L A -0.9324
67 E A -0.9992
68 E A -0.8810
69 V A 0.0000
70 S A 0.0000
71 R A 0.0000
72 K A -0.2596
73 I A 0.2297
74 F A 0.2230
75 S A 0.5104
76 A A -0.2764
77 H A -0.4900
78 F A 0.8894
79 G A 0.6829
80 H A 0.0860
81 L A 1.3940
82 A A 0.0000
83 V A 3.1103
84 V A 2.8005
85 F A 3.0261
86 I A 3.6758
87 W A 3.1099
88 L A 2.1798
89 S A 0.0000
90 G A 1.5117
91 A A 0.8051
92 Y A 1.0614
93 F A 1.1919
94 H A -0.2894
95 G A 0.0000
96 A A 0.0000
97 R A -1.1419
98 F A -0.4543
99 S A -0.4573
100 N A 0.0000
101 Y A 0.0000
102 E A -1.0981
103 A A -0.8646
104 W A 0.0000
105 L A 0.0000
106 S A -1.0333
107 N A -1.5197
108 P A -0.9358
109 T A -0.8426
110 T A -0.7630
111 I A 0.0000
112 K A -1.1136
113 P A 0.0000
114 S A 0.0000
115 A A 0.0000
116 Q A -0.3981
117 V A 0.0940
118 V A 0.8533
119 W A 1.7819
120 P A 1.5181
121 I A 2.7794
122 V A 2.5515
123 G A 1.0782
124 Q A 0.8131
125 E A 0.4844
126 I A 0.5742
127 L A 0.1258
128 N A -0.4779
129 G A -0.9779
130 D A -2.3223
131 V A 0.0000
132 G A -1.5050
133 G A -1.4408
134 G A -1.1644
135 F A -1.0815
136 Q A -1.7802
137 G A 0.0000
138 I A 0.0418
139 Q A -0.3421
140 I A 0.1695
141 T A 0.1207
142 S A 0.0117
143 G A 0.0000
144 L A 0.4364
145 F A 0.0000
146 Q A 0.0000
147 M A 0.4209
148 W A 0.0000
149 R A 0.0000
150 A A 0.0000
151 S A 0.2238
152 G A 0.0000
153 I A 0.4081
154 T A -0.2289
155 T A 0.0355
156 E A 0.1299
157 L A 1.6648
158 Q A 1.2301
159 L A 0.0000
160 Y A 1.8650
161 V A 2.8628
162 T A 1.8934
163 A A 0.0000
164 I A 2.9620
165 G A 1.8649
166 A A 2.6168
167 L A 3.4642
168 V A 2.8393
169 M A 2.6523
170 A A 0.0000
171 A A 2.6707
172 L A 2.8668
173 M A 2.5967
174 L A 3.0321
175 F A 3.4450
176 A A 2.1555
177 G A 0.0000
178 W A 2.0632
179 F A 1.3444
180 H A 0.3018
181 Y A -0.1101
182 H A -0.8149
183 K A -1.6369
184 A A 0.0000
185 A A 0.0000
186 P A 0.0000
187 K A -0.4364
188 L A -0.9472
189 E A -1.6012
190 W A -0.1179
191 F A -0.1239
192 Q A -0.8412
193 N A -0.6080
194 A A -0.1470
195 E A 0.0000
196 S A -0.5377
197 M A 0.0998
198 M A 0.0498
199 N A -0.2209
200 H A -0.4875
201 H A 0.4063
202 L A 1.3193
203 G A 1.6208
204 G A 1.1080
205 L A 2.0704
206 F A 2.6030
207 G A 0.0000
208 L A 2.6279
209 G A 1.6653
210 S A 0.0000
211 L A 1.6581
212 S A 0.7122
213 W A 0.6800
214 A A 0.0000
215 G A -0.0326
216 H A -0.1213
217 Q A 0.0000
218 I A -0.0207
219 H A -0.0123
220 V A 0.1557
221 S A 0.0000
222 L A 0.0000
223 P A 0.0000
224 V A 0.0000
225 N A 0.0000
226 K A -0.9902
227 L A -0.5923
228 L A 0.0000
229 D A -0.5590
230 S A -0.4825
231 G A -0.6528
232 V A -0.5202
233 S A -1.0743
234 P A 0.0000
235 Q A -1.9374
236 E A -2.0962
237 I A 0.0000
238 P A -0.4507
239 L A 0.5370
240 P A 0.3686
241 H A -0.2296
242 E A -0.6688
243 F A 0.0000
244 I A 1.3174
245 L A 0.8370
246 N A -1.2237
247 K A -2.1107
248 D A -2.6400
249 L A -1.2406
250 I A 0.0000
251 A A -1.8064
252 Q A -1.7288
253 L A -0.7461
254 Y A 0.0000
255 P A -1.1036
256 S A 0.0000
257 F A -0.9033
258 G A -1.4746
259 Q A -0.9380
260 G A -0.0027
261 L A 1.9200
262 T A 1.4108
263 P A 0.0000
264 F A 2.5103
265 F A 3.0980
266 T A 1.9322
267 L A 2.0007
268 N A 0.3032
269 W A 0.3224
270 N A -1.3322
271 E A -1.2513
272 Y A 0.0000
273 S A -0.6730
274 D A -0.8841
275 F A 0.0000
276 L A -0.1765
277 T A 0.0000
278 F A 1.4307
279 K A 0.6668
280 G A 0.5350
281 G A 0.0000
282 L A 0.0000
283 N A 0.2369
284 P A 0.3130
285 V A 0.8861
286 T A 0.0000
287 G A 0.0000
288 G A 0.0000
289 L A 0.3362
290 W A 0.4272
291 L A 0.0565
292 S A -0.0727
293 D A 0.0611
294 S A -0.1047
295 A A 0.0000
296 H A -0.3639
297 H A -0.7466
298 H A 0.0712
299 L A 0.8612
300 A A 0.9644
301 I A 2.0891
302 A A 0.0000
303 V A 3.7701
304 L A 3.6474
305 F A 3.2553
306 I A 3.0021
307 V A 2.9408
308 A A 1.7007
309 G A 0.0000
310 H A -0.0931
311 M A 0.3979
312 Y A -0.1494
313 R A -0.4324
314 T A -0.6642
315 N A -0.9135
316 W A 0.7531
317 G A 0.4236
318 I A 1.7263
319 G A 0.2998
320 H A -0.8040
321 S A -0.8483
322 M A -0.9970
323 K A -2.1524
324 E A -2.0661
325 M A -1.3513
326 Y A -1.7550
327 D A -2.8628
328 S A -2.2368
329 H A -2.5543
330 K A -2.5860
331 G A -0.8664
332 P A 0.1765
333 F A 1.4351
334 T A 0.1666
335 G A -0.3065
336 E A -1.3445
337 G A 0.0000
338 H A -1.8071
339 K A -2.2771
340 G A -1.0981
341 V A 0.0000
342 Y A -0.7261
343 E A -0.9338
344 I A -0.5878
345 F A 0.2969
346 T A -0.5448
347 N A -1.0223
348 S A 0.0000
349 W A 0.0833
350 H A -0.0942
351 A A 0.0000
352 Q A 0.2688
353 L A 0.8954
354 S A 0.7908
355 L A 1.4178
356 N A 1.2009
357 L A 1.8950
358 A A 1.9713
359 L A 2.6369
360 F A 3.3919
361 G A 0.0000
362 S A 2.2276
363 L A 2.8483
364 S A 0.0000
365 I A 1.4585
366 I A 1.6652
367 V A 1.1121
368 A A 0.0000
369 H A -0.0602
370 H A -0.4850
371 M A 0.0612
372 Y A 0.0300
373 S A 0.0000
374 M A 0.0949
375 P A 0.0000
376 P A 0.2837
377 Y A 0.5483
378 P A 0.0000
379 Y A 0.0000
380 L A 0.0000
381 A A 0.0000
382 T A -0.5340
383 D A -0.4174
384 Y A 0.0000
385 A A 0.0000
386 T A 0.0000
387 S A -0.0309
388 L A 0.0000
389 C A -0.0592
390 L A -0.1422
391 F A 0.0000
392 T A -0.1121
393 H A -0.6702
394 H A 0.1457
395 V A 0.0000
396 W A 0.0000
397 I A 1.2250
398 G A 0.0000
399 G A 0.0000
400 F A 1.5438
401 L A 1.8179
402 I A 1.8620
403 V A 0.0000
404 G A 0.6883
405 A A 0.0000
406 G A 0.5343
407 A A 0.3286
408 H A 0.2387
409 A A 0.1945
410 A A 0.0000
411 I A -0.3426
412 F A 0.0000
413 M A 0.0000
414 V A -0.8009
415 R A -1.6046
416 D A -1.6619
417 Y A 0.0000
418 D A -1.3065
419 P A -0.6757
420 A A -0.5029
421 Q A -1.3237
422 N A 0.0000
423 Y A 0.4612
424 N A -0.2898
425 N A 0.0000
426 L A 0.2952
427 V A 0.2848
428 D A -0.5284
429 R A -0.5218
430 V A -0.1824
431 L A -0.8203
432 R A -2.2869
433 H A -1.7214
434 R A -1.2813
435 D A -1.6538
436 A A -1.0386
437 I A -0.4241
438 I A 0.0000
439 S A -0.7342
440 H A -0.5152
441 L A 0.2665
442 N A 0.4485
443 W A 1.5703
444 V A 1.5003
445 C A 0.0000
446 I A 2.9008
447 F A 2.5232
448 L A 0.0000
449 G A 2.0658
450 F A 2.7268
451 H A 0.7189
452 S A 0.0000
453 F A 1.8084
454 G A 1.4274
455 L A 1.0308
456 Y A 0.0000
457 I A 1.6143
458 H A 0.4323
459 N A 0.0000
460 D A 0.0842
461 T A 0.1747
462 M A -0.4064
463 R A -0.9006
464 A A -0.0703
465 L A 0.7006
466 G A -0.7611
467 R A -1.7936
468 P A -1.4695
469 Q A -1.7876
470 D A -1.1426
471 M A 0.0000
472 F A 0.0207
473 S A 0.0000
474 D A -0.9579
475 A A -0.6795
476 A A -0.4434
477 I A 0.0860
478 Q A -0.7597
479 L A 0.0745
480 Q A 0.3123
481 P A 1.2993
482 V A 2.9177
483 F A 3.1064
484 A A 1.9435
485 Q A 1.5264
486 W A 2.4741
487 V A 1.7948
488 Q A 0.9512
489 G A 0.7008
490 V A 0.8595
491 N A 0.2164
492 S A 0.1064
493 A A -0.2687
494 A A -0.5446
495 A A -0.5867
496 G A -1.1762
497 N A -1.6897
498 T A -0.9371
499 A A -0.9213
500 P A -1.3017
501 N A -1.0188
502 A A 0.1185
503 L A 1.2230
504 A A 0.4745
505 N A -0.0172
506 A A 0.1627
507 S A 0.0000
508 Y A -0.0826
509 A A 0.0000
510 F A 0.4154
511 G A -0.3976
512 G A -1.0524
513 D A -1.5853
514 I A -0.0784
515 V A 0.0521
516 S A -0.3075
517 V A 0.0000
518 G A -0.7368
519 G A -0.9865
520 K A -1.1192
521 V A 0.0000
522 A A 0.0000
523 M A 0.0000
524 M A -0.0131
525 P A -0.2101
526 I A 0.0000
527 S A -0.1767
528 L A 0.2067
529 G A -0.1417
530 T A 0.0000
531 A A 0.0000
532 D A 0.0000
533 F A 0.1250
534 L A 0.0000
535 V A 0.0000
536 H A -0.6313
537 H A -0.3451
538 I A 0.0000
539 H A 0.0000
540 A A 0.2407
541 F A 1.2051
542 T A 0.0000
543 I A 1.5773
544 H A 1.0538
545 V A 0.0000
546 T A 0.0000
547 V A 1.5308
548 L A 0.0000
549 I A 0.6325
550 L A 0.0000
551 L A 0.6644
552 K A -0.1896
553 G A 0.0000
554 V A 0.2805
555 L A 0.0000
556 F A -0.4238
557 A A 0.0000
558 R A -1.0261
559 N A -1.6648
560 S A -1.4686
561 R A -1.9687
562 L A -1.0838
563 I A 0.0000
564 P A -1.8662
565 D A -2.5162
566 K A 0.0000
567 A A -1.2874
568 N A -1.6537
569 L A -0.6274
570 G A -0.6929
571 F A -0.4214
572 R A -0.7349
573 F A 0.0000
574 P A -0.0263
575 C A -0.3825
576 D A -1.6100
577 G A -1.3438
578 P A -1.4050
579 G A -1.9781
580 R A -2.5929
581 G A -1.6966
582 G A -1.5203
583 T A 0.0000
584 C A 0.0941
585 Q A -0.0605
586 V A 0.0157
587 S A 0.0000
588 A A 0.0000
589 W A -0.0242
590 D A 0.0000
591 H A 0.0000
592 V A 0.6494
593 F A 0.0000
594 L A 0.8938
595 G A 0.0000
596 L A 0.9299
597 F A 0.7443
598 W A 0.8869
599 M A 0.0000
600 Y A 0.3555
601 N A -0.0612
602 S A 0.0000
603 L A 0.0000
604 S A 0.2181
605 V A 0.3761
606 V A 0.2717
607 L A 0.0000
608 F A 0.5737
609 H A 0.1787
610 F A 0.0000
611 S A 0.0000
612 W A 0.0000
613 K A 0.0000
614 M A 0.0000
615 Q A 0.0000
616 S A 0.0000
617 D A -0.7892
618 V A 0.0000
619 W A 0.0000
620 G A 0.0000
621 N A -1.4056
622 V A -0.7880
623 T A -0.9384
624 A A -1.0092
625 D A -1.8749
626 G A -1.2206
627 A A -0.6184
628 V A -0.3665
629 S A -0.7289
630 H A -0.7784
631 I A -0.1829
632 T A -0.5541
633 G A -1.1579
634 N A -1.8997
635 N A -1.4955
636 F A 0.0000
637 A A -1.0718
638 Q A -1.5940
639 G A 0.0000
640 A A 0.0000
641 I A 0.0000
642 T A 0.0000
643 I A 0.1969
644 N A -1.2448
645 G A 0.0000
646 W A -0.1344
647 L A -0.1930
648 R A -1.3213
649 D A -0.9285
650 F A 0.0000
651 L A 0.5803
652 W A 0.8682
653 A A 0.2278
654 Q A 0.0000
655 A A 0.7366
656 S A 0.4588
657 Q A 0.2199
658 V A 0.0000
659 I A 1.9760
660 Q A 0.0252
661 S A 0.0000
662 Y A 1.3733
663 G A 0.2140
664 S A 0.3197
665 A A 0.1820
666 L A 0.9398
667 S A 0.0000
668 A A 1.1099
669 Y A 1.4868
670 G A 0.0000
671 L A 2.4980
672 M A 1.6072
673 F A 1.7822
674 L A 2.0426
675 G A 1.5515
676 A A 0.0000
677 H A 1.4729
678 F A 2.6606
679 I A 2.2808
680 W A 1.9863
681 A A 1.7599
682 F A 2.4317
683 S A 0.0000
684 L A 1.8223
685 M A 1.7212
686 F A 1.4819
687 L A 1.6555
688 F A 2.2107
689 S A 1.1230
690 G A 0.2088
691 R A -0.5918
692 G A -0.3613
693 Y A 0.5040
694 W A -0.2161
695 Q A -1.1827
696 E A -1.8264
697 L A -0.2004
698 I A -0.3399
699 E A -1.6425
700 S A -0.2451
701 I A 0.7605
702 V A 0.3295
703 W A 0.3647
704 A A 0.1764
705 H A -0.0510
706 N A -0.9193
707 K A -1.3560
708 L A 0.2827
709 K A -0.8820
710 F A 0.9329
711 A A 0.2672
712 P A -0.1652
713 S A -0.2920
714 I A -0.6674
715 Q A -1.1130
716 P A -0.9833
717 R A -1.5068
718 A A 0.0000
719 L A 0.1593
720 S A 0.1296
721 I A 0.6717
722 T A 0.1421
723 Q A 0.0000
724 G A 0.5213
725 R A 0.4481
726 A A 0.2409
727 V A 0.3529
728 G A 0.0000
729 V A 0.0000
730 A A 0.4583
731 H A 1.1995
732 Y A 1.3459
733 L A 0.0000
734 L A 1.3733
735 G A 0.0000
736 G A 0.0000
737 I A 0.9206
738 A A 0.9671
739 T A 0.9441
740 T A 0.0000
741 W A 0.6807
742 S A 0.0000
743 F A 0.0000
744 F A 0.0000
745 H A 0.0000
746 A A 0.0000
747 R A 0.0000
748 I A 0.0000
749 I A 0.1844
750 S A 0.1616
751 V A 0.5074
752 G A -0.1118
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Laboratory of Theory of Biopolymers 2018