Project name: 6fc8397d08fb233

Status: done

Started: 2026-06-22 06:53:15
Settings
Chain sequence(s) A: MKWVTFISLLFLFSSAYSRGVFRRDAHKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKTCVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECFLQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLFFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLECADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADLPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKTYETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYKFQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVVLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEFNAETFTFHADICTLSEKERQIKKQTALVELVKHKPKATKEQLKAVMDDFAAFVEKCCKADDKETCFAEEGKKLVAASQAALGLGGGGSGFLGMIEIICNDRLGKKIRIKCNTDDTIGDLKKLIAAQTGTRWNKIILKKWYTIFKDHISLGDYEIHDGMNLELYYQ
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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:18:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:18:58)
Show buried residues

Minimal score value
-3.9886
Maximal score value
3.2321
Average score
-1.0573
Total score value
-730.6089

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 0.8823
2 K A -0.5050
3 W A 0.7391
4 V A 1.6689
5 T A 0.9551
6 F A 1.3739
7 I A 0.0000
8 S A 1.9160
9 L A 2.5170
10 L A 2.5239
11 F A 3.0245
12 L A 3.2321
13 F A 2.4957
14 S A 1.3370
15 S A 0.8334
16 A A 0.8362
17 Y A 0.9195
18 S A -0.7656
19 R A -2.5369
20 G A -1.2207
21 V A -0.7631
22 F A -1.9056
23 R A -3.6866
24 R A -3.9886
25 D A -3.8653
26 A A -2.4827
27 H A -2.7908
28 K A -3.1237
29 S A 0.0000
30 E A -1.6961
31 V A 0.0000
32 A A 0.0000
33 H A -1.6593
34 R A 0.0000
35 F A 0.0000
36 K A -2.8614
37 D A -2.8172
38 L A -2.0788
39 G A -2.4075
40 E A -2.9715
41 E A -2.7864
42 N A -2.1223
43 F A 0.0000
44 K A -1.7987
45 A A -1.1401
46 L A 0.0000
47 V A 0.0000
48 L A 0.0000
49 I A 0.0000
50 A A 0.0000
51 F A 0.0000
52 A A 0.0000
53 Q A 0.0000
54 Y A 0.0000
55 L A 0.0000
56 Q A 0.0000
57 Q A -0.8963
58 C A 0.0000
59 P A -1.3242
60 F A 0.0000
61 E A -2.8735
62 D A -2.6063
63 H A 0.0000
64 V A -2.2122
65 K A -3.1486
66 L A -2.0677
67 V A 0.0000
68 N A -2.8845
69 E A -3.2148
70 V A 0.0000
71 T A 0.0000
72 E A -3.0044
73 F A -1.8671
74 A A 0.0000
75 K A -2.3770
76 T A -1.6297
77 C A 0.0000
78 V A -1.1758
79 A A -0.9372
80 D A -2.0149
81 E A -2.6674
82 S A -2.1104
83 A A -1.9558
84 E A -2.8049
85 N A -2.3827
86 C A 0.0000
87 D A -3.5023
88 K A -2.3954
89 S A -1.1437
90 L A 0.0000
91 H A -0.7062
92 T A -0.9683
93 L A 0.0000
94 F A -0.2462
95 G A 0.0000
96 D A -0.8544
97 K A -0.7920
98 L A 0.0000
99 C A -0.4266
100 T A -0.1173
101 V A -0.2904
102 A A -0.4320
103 T A -1.1078
104 L A 0.0000
105 R A -3.3730
106 E A -2.9336
107 T A -1.7521
108 Y A -1.8031
109 G A -2.5429
110 E A -3.0562
111 M A 0.0000
112 A A -2.3551
113 D A -2.7263
114 C A 0.0000
115 C A -1.3493
116 A A -1.2764
117 K A -2.5647
118 Q A -2.3459
119 E A -2.2300
120 P A -2.1673
121 E A -2.9832
122 R A 0.0000
123 N A 0.0000
124 E A -2.8932
125 C A -2.4151
126 F A 0.0000
127 L A -1.3947
128 Q A -1.7795
129 H A -1.5048
130 K A 0.0000
131 D A -1.5497
132 D A -1.4696
133 N A -1.8411
134 P A -1.5298
135 N A -2.0106
136 L A -1.1847
137 P A -0.8322
138 R A -1.1940
139 L A 0.8183
140 V A 1.0974
141 R A -0.2096
142 P A -0.7551
143 E A -1.9221
144 V A -1.3363
145 D A -1.7715
146 V A -0.2818
147 M A 0.0000
148 C A 0.0000
149 T A -1.1084
150 A A -1.1340
151 F A 0.0000
152 H A -2.4865
153 D A -3.0223
154 N A -2.8015
155 E A -2.7787
156 E A -2.8845
157 T A -1.7161
158 F A -1.5334
159 L A -1.2128
160 K A -1.1539
161 K A -1.2938
162 Y A -0.2245
163 L A 0.0000
164 Y A 0.0000
165 E A 0.0000
166 I A -0.1206
167 A A 0.0000
168 R A -0.5410
169 R A -1.0460
170 H A -0.7052
171 P A 0.0000
172 Y A -0.2988
173 F A 0.0000
174 Y A -0.1707
175 A A 0.0000
176 P A 0.0000
177 E A -0.2744
178 L A 0.0000
179 L A 0.0000
180 F A 0.0000
181 F A 0.0000
182 A A -0.6037
183 K A -1.2054
184 R A -0.9816
185 Y A -0.7502
186 K A -1.4677
187 A A -1.1548
188 A A 0.0000
189 F A 0.0000
190 T A -1.5433
191 E A -2.3142
192 C A 0.0000
193 C A 0.0000
194 Q A -2.0710
195 A A -1.7042
196 A A -1.2110
197 D A -2.1612
198 K A -2.0309
199 A A -1.1146
200 A A -0.5421
201 C A -0.9221
202 L A 0.0000
203 L A -0.2155
204 P A -0.9589
205 K A -1.3933
206 L A 0.0000
207 D A -2.4504
208 E A -3.3996
209 L A 0.0000
210 R A -3.3790
211 D A -3.9110
212 E A -3.0156
213 G A -2.5703
214 K A -3.0165
215 A A -1.9890
216 S A -1.6294
217 S A -1.1652
218 A A -1.3562
219 K A -1.8774
220 Q A 0.0000
221 R A -0.8985
222 L A 0.0000
223 K A -1.0956
224 C A 0.0000
225 A A -0.9526
226 S A 0.0000
227 L A 0.0000
228 Q A -2.1455
229 K A -1.9057
230 F A -1.5123
231 G A -2.1859
232 E A -3.3114
233 R A -3.1129
234 A A -1.9159
235 F A 0.0000
236 K A -1.9425
237 A A -1.2733
238 W A -0.7577
239 A A 0.0000
240 V A 0.0000
241 A A 0.0000
242 R A -0.8197
243 L A 0.0000
244 S A 0.0000
245 Q A 0.0000
246 R A -1.8253
247 F A 0.0000
248 P A 0.0000
249 K A -2.7079
250 A A 0.0000
251 E A -2.2848
252 F A 0.0000
253 A A -0.5226
254 E A 0.0000
255 V A 0.0000
256 S A -0.6202
257 K A -0.1511
258 L A 0.0000
259 V A 0.0000
260 T A -0.8066
261 D A -0.4665
262 L A -0.2994
263 T A 0.0000
264 K A -1.0282
265 V A 0.0000
266 H A 0.0000
267 T A -1.0189
268 E A -0.7268
269 C A 0.0000
270 C A 0.0000
271 H A -0.9300
272 G A 0.0000
273 D A -0.5519
274 L A 0.0000
275 L A 0.0000
276 E A -0.6963
277 C A 0.0000
278 A A 0.0000
279 D A 0.0000
280 D A 0.0000
281 R A 0.0000
282 A A -0.7701
283 D A -1.0505
284 L A 0.0000
285 A A 0.0000
286 K A -2.0377
287 Y A -1.3237
288 I A 0.0000
289 C A -2.2625
290 E A -2.5651
291 N A -1.9979
292 Q A -2.3506
293 D A -2.8329
294 S A -2.0788
295 I A 0.0000
296 S A 0.0000
297 S A -2.0798
298 K A -2.4669
299 L A 0.0000
300 K A -3.5047
301 E A -3.4923
302 C A 0.0000
303 C A -2.7466
304 E A -3.1605
305 K A -2.2883
306 P A -0.7751
307 L A -0.2080
308 L A -0.0123
309 E A -0.7682
310 K A -1.1816
311 S A -0.6722
312 H A -0.7292
313 C A -1.2121
314 I A 0.0000
315 A A -1.1958
316 E A -2.3577
317 V A 0.0000
318 E A -2.9246
319 N A -2.4355
320 D A 0.0000
321 E A -2.4707
322 M A -1.4052
323 P A -1.2395
324 A A -1.1122
325 D A -1.6784
326 L A -0.7764
327 P A -0.7994
328 S A -0.6166
329 L A -0.5453
330 A A -0.8186
331 A A -1.4607
332 D A -2.0676
333 F A 0.0000
334 V A 0.0000
335 E A -2.9026
336 S A -2.5465
337 K A -3.2091
338 D A -3.0513
339 V A 0.0000
340 C A -1.9785
341 K A -2.9767
342 N A -2.0277
343 Y A 0.0000
344 A A -2.1724
345 E A -2.4935
346 A A -1.9197
347 K A -2.4885
348 D A -2.2148
349 V A -0.8813
350 F A 0.0000
351 L A -0.9156
352 G A -0.5597
353 M A 0.0000
354 F A 0.0000
355 L A 0.0000
356 Y A 0.0000
357 E A -0.6012
358 Y A 0.0000
359 A A 0.0000
360 R A -1.1280
361 R A -0.5011
362 H A -0.6137
363 P A -1.1485
364 D A -1.4036
365 Y A -0.6018
366 S A 0.0000
367 V A 0.0000
368 V A 0.0000
369 L A 0.0000
370 L A 0.0000
371 L A 0.0000
372 R A 0.0000
373 L A 0.0000
374 A A -0.8197
375 K A -1.5814
376 T A -1.2417
377 Y A 0.0000
378 E A -2.1797
379 T A -1.6933
380 T A 0.0000
381 L A 0.0000
382 E A -2.4163
383 K A -2.3339
384 C A 0.0000
385 C A -1.1212
386 A A -0.8375
387 A A -1.1466
388 A A -0.9513
389 D A -2.2411
390 P A -1.9086
391 H A -2.5332
392 E A -2.7144
393 C A -1.5015
394 Y A 0.0000
395 A A -1.8554
396 K A -2.6832
397 V A 0.0000
398 F A -1.7857
399 D A -3.4271
400 E A -3.2891
401 F A 0.0000
402 K A -3.0986
403 P A -2.2870
404 L A -1.4766
405 V A 0.0000
406 E A -2.5731
407 E A -2.2355
408 P A 0.0000
409 Q A -2.4710
410 N A -2.6788
411 L A -1.6403
412 I A 0.0000
413 K A -2.6239
414 Q A -2.4623
415 N A -1.8425
416 C A 0.0000
417 E A -3.1194
418 L A -2.0908
419 F A -2.2298
420 E A -3.1384
421 Q A -2.5686
422 L A -1.6923
423 G A -1.5824
424 E A -1.7879
425 Y A -1.0530
426 K A -1.8836
427 F A 0.0000
428 Q A 0.0000
429 N A -1.0907
430 A A -0.9512
431 L A 0.0000
432 L A 0.0000
433 V A 0.0000
434 R A -0.9242
435 Y A -0.4058
436 T A 0.0000
437 K A -1.0251
438 K A -0.8530
439 V A 0.0000
440 P A 0.0000
441 Q A -0.8942
442 V A 0.0000
443 S A -0.3598
444 T A 0.0000
445 P A -0.6626
446 T A -0.7469
447 L A 0.0000
448 V A 0.0000
449 E A -1.8096
450 V A 0.0000
451 S A 0.0000
452 R A -1.0956
453 N A -0.9573
454 L A 0.0000
455 G A 0.0000
456 K A -1.3934
457 V A 0.0000
458 G A 0.0000
459 S A -1.7230
460 K A -1.7698
461 C A 0.0000
462 C A 0.0000
463 K A -2.7405
464 H A -2.1860
465 P A -2.0427
466 E A -2.9642
467 A A -1.9038
468 K A -2.4270
469 R A -2.2854
470 M A 0.0000
471 P A -0.7649
472 C A -0.5806
473 A A 0.0000
474 E A 0.0000
475 D A -0.1777
476 Y A -0.2408
477 L A 0.0739
478 S A 0.0000
479 V A 0.0000
480 V A 0.0000
481 L A 0.0000
482 N A 0.0000
483 Q A -0.7273
484 L A 0.0000
485 C A 0.0000
486 V A -0.9218
487 L A -0.9501
488 H A 0.0000
489 E A -2.3307
490 K A -2.2515
491 T A -1.1631
492 P A -1.2743
493 V A -1.0578
494 S A 0.0000
495 D A -2.2742
496 R A -1.5566
497 V A 0.0000
498 T A -2.0351
499 K A -2.4055
500 C A 0.0000
501 C A 0.0000
502 T A -1.7709
503 E A -2.2868
504 S A -1.3926
505 L A 0.0000
506 V A 0.0000
507 N A -0.9819
508 R A 0.0000
509 R A 0.0000
510 P A -0.2602
511 C A -0.5001
512 F A 0.0000
513 S A -0.2991
514 A A -0.3499
515 L A -0.6782
516 E A -1.7597
517 V A -0.9811
518 D A 0.0000
519 E A -1.8439
520 T A -0.3334
521 Y A 0.2996
522 V A 0.7860
523 P A -0.5352
524 K A -1.4276
525 E A -1.9237
526 F A -0.9232
527 N A -1.1505
528 A A -1.1941
529 E A -1.7481
530 T A -0.7704
531 F A -0.4753
532 T A -0.9492
533 F A -1.2008
534 H A -1.8328
535 A A -1.9660
536 D A -2.2533
537 I A 0.0000
538 C A -1.4341
539 T A -0.7702
540 L A -1.1396
541 S A -1.4263
542 E A -2.6754
543 K A -2.3723
544 E A -1.7116
545 R A -2.0065
546 Q A -1.4700
547 I A -1.0943
548 K A -1.3766
549 K A -0.8540
550 Q A 0.0000
551 T A -0.5567
552 A A 0.0000
553 L A 0.0000
554 V A 0.0000
555 E A 0.0000
556 L A 0.0000
557 V A 0.0000
558 K A 0.0000
559 H A -1.0193
560 K A -1.2104
561 P A 0.0000
562 K A -2.1833
563 A A 0.0000
564 T A -2.1654
565 K A -3.1342
566 E A -3.2788
567 Q A -2.4116
568 L A 0.0000
569 K A -3.6675
570 A A -2.5704
571 V A 0.0000
572 M A -2.0764
573 D A -2.9248
574 D A -2.7148
575 F A 0.0000
576 A A -1.7596
577 A A -1.9534
578 F A 0.0000
579 V A 0.0000
580 E A -3.0502
581 K A -3.0014
582 C A 0.0000
583 C A -2.8547
584 K A -3.3254
585 A A -3.1298
586 D A -3.2339
587 D A -3.2741
588 K A -3.3196
589 E A -2.8210
590 T A -2.0997
591 C A -2.5981
592 F A 0.0000
593 A A -2.1293
594 E A -3.0603
595 E A -2.5349
596 G A -2.0646
597 K A -3.0016
598 K A -2.9317
599 L A -1.7023
600 V A -0.8184
601 A A -0.8814
602 A A -0.7391
603 S A -0.5962
604 Q A -0.2973
605 A A -0.1544
606 A A -0.1619
607 L A 0.0000
608 G A -0.4703
609 L A -0.1337
610 G A -0.7115
611 G A -0.8980
612 G A -1.0251
613 G A -0.7961
614 S A -0.1725
615 G A 0.4996
616 F A 2.4137
617 L A 1.9273
618 G A 0.3743
619 M A 0.0314
620 I A 0.0000
621 E A -2.5487
622 I A 0.0000
623 I A -1.9574
624 C A 0.0000
625 N A -2.1733
626 D A 0.0000
627 R A -1.8947
628 L A -0.1740
629 G A -1.3641
630 K A -2.2884
631 K A -3.0246
632 I A -2.2206
633 R A -2.8432
634 I A 0.0000
635 K A -2.3781
636 C A 0.0000
637 N A -1.5485
638 T A -2.4124
639 D A -2.3350
640 D A -1.9105
641 T A -1.7956
642 I A 0.0000
643 G A -1.4860
644 D A -1.5653
645 L A 0.0000
646 K A 0.0000
647 K A -1.9733
648 L A -1.0155
649 I A 0.0000
650 A A -1.6405
651 A A -1.0684
652 Q A -1.5888
653 T A -1.1940
654 G A -1.3080
655 T A -1.7759
656 R A -2.7064
657 W A -1.8218
658 N A -2.4592
659 K A -2.2591
660 I A 0.0000
661 I A -0.0483
662 L A 0.0000
663 K A 0.2798
664 K A 0.0797
665 W A 1.5380
666 Y A 1.9581
667 T A 1.2607
668 I A 1.4754
669 F A 0.0000
670 K A -0.8669
671 D A -1.6302
672 H A -1.5873
673 I A -1.3229
674 S A -1.9163
675 L A 0.0000
676 G A -2.6847
677 D A -2.2099
678 Y A -1.5488
679 E A -2.4872
680 I A 0.0000
681 H A -2.6862
682 D A -3.0982
683 G A -2.0924
684 M A -1.9554
685 N A -2.1135
686 L A 0.0000
687 E A -1.0574
688 L A 0.0000
689 Y A -0.0266
690 Y A -0.3925
691 Q A -1.5328
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Laboratory of Theory of Biopolymers 2018