Project name: S00

Status: done

Started: 2026-05-14 03:50:50
Settings
Chain sequence(s) A: MHHHHHHGGSGMIEALRQQLLDDPRSWYAFLRHLVASQRDSWLYTDLQRACADFREQLPEGYAEGIGPLEDFVAHTQEVIFRDPWMVFAWRPRPGRWIYVRIHREQLALEELSTDAYLQAKEGIVGLGAEGEAVLTVDFRDFRPVSRRLRDESTIGDGLTHLNRRLAGRIFSDLAAGRSQILEFLSLHRLDGQNLMLSNGNTDFDSLRQTVQYLGTLPRETPWAEIREDMRRRGFAPGWGNTAGRVRETMRLLMDLLDSPSPAALESFLDRIPMISRILIVSIHGWFAQDKVLGRPDTGGQVVYILDQARALEREMRNRLRQQGVDVEPRILIATRLIPESDGTTCDQRLEPVVGAENVQILRVPFRYPDGRIHPHWISRFKIWPWLERYAQDLEREVLAELGSRPDLIIGNYSDGNLVATLLSERLGVTQCNIAHALEKSKYLYSDLHWRDHEQDHHFACQFTADLIAMNAADIIVTSTYQEIAGNDREIGQYEGHQDYTLPGLYRVENGIDVFDSKFNIVSPGADPRFYFSYARTEERPSFLEPEIESLLFGREPGADRRGVLEDRQKPLLLSMARMDRIKNLSGLAELYGRSSRLRGLANLVIIGGHVDVGNSRDAEEREEIRRMHEIMDHYQLDGQLRWVGALLDKTVAGELYRVVADGRGVFVQPALFEAFGLTVIEAMSSGLPVFATRFGGPLEIIEDGVSGFHIDPNDHEATAERLADFLEAARERPKYWLEISDAALARVAERYTWERYAERLMTIARIFGFWRFVLDRESQVMERYLQMFRHLQWRPLAHAVPME
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:23:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:24:01)
Show buried residues

Minimal score value
-4.2078
Maximal score value
1.8836
Average score
-0.904
Total score value
-726.8207

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 -0.0027
2 H A -1.5237
3 H A -2.2425
4 H A -2.4856
5 H A -2.5841
6 H A -2.6463
7 H A -2.1489
8 G A -1.4483
9 G A -1.5758
10 S A -1.7398
11 G A -1.4956
12 M A -0.9974
13 I A 0.0000
14 E A -2.5061
15 A A -1.4571
16 L A 0.0000
17 R A -1.8687
18 Q A -2.0240
19 Q A -1.6420
20 L A 0.0000
21 L A -0.3207
22 D A -2.0065
23 D A -1.6832
24 P A -1.5094
25 R A -1.9080
26 S A -1.1664
27 W A 0.0000
28 Y A -1.4951
29 A A -1.1475
30 F A 0.0000
31 L A 0.0000
32 R A -1.8554
33 H A -1.1653
34 L A 0.0000
35 V A -1.3870
36 A A -0.9395
37 S A -1.4520
38 Q A -2.1671
39 R A -2.7006
40 D A -2.6406
41 S A 0.0000
42 W A 0.0000
43 L A 0.3684
44 Y A -0.5765
45 T A -0.8077
46 D A -1.3117
47 L A 0.0000
48 Q A -1.5695
49 R A -2.7939
50 A A -1.9935
51 C A 0.0000
52 A A -2.6650
53 D A -3.5736
54 F A 0.0000
55 R A -3.2162
56 E A -3.7514
57 Q A -2.9253
58 L A -1.8017
59 P A -1.4796
60 E A -2.3073
61 G A -1.2458
62 Y A -0.4136
63 A A -1.6451
64 E A -2.1406
65 G A -1.2097
66 I A 0.0000
67 G A -1.3961
68 P A -1.1667
69 L A 0.0000
70 E A -1.5382
71 D A -2.0791
72 F A 0.0000
73 V A 0.0000
74 A A -1.4358
75 H A -1.8076
76 T A 0.0000
77 Q A 0.0000
78 E A 0.0000
79 V A 0.0000
80 I A 0.0000
81 F A -1.4273
82 R A -1.5796
83 D A -2.1678
84 P A -1.8825
85 W A -1.3624
86 M A 0.0000
87 V A 0.0000
88 F A 0.0000
89 A A 0.0000
90 W A 0.0000
91 R A 0.0000
92 P A 0.0000
93 R A -2.7582
94 P A 0.0000
95 G A -1.0631
96 R A -1.4253
97 W A -0.5971
98 I A 0.0000
99 Y A 0.0000
100 V A 0.0000
101 R A -1.1892
102 I A 0.0000
103 H A -1.7137
104 R A -2.2931
105 E A -2.7998
106 Q A -2.1287
107 L A -1.2517
108 A A -0.8649
109 L A 0.0000
110 E A -1.7863
111 E A -2.2735
112 L A -1.2129
113 S A -0.9318
114 T A -0.8057
115 D A -1.0225
116 A A -0.8665
117 Y A 0.0000
118 L A 0.0000
119 Q A -0.9300
120 A A -0.4105
121 K A 0.0000
122 E A 0.0000
123 G A -0.3311
124 I A -0.0267
125 V A 0.5322
126 G A 0.0494
127 L A -0.3792
128 G A -1.1841
129 A A -1.4399
130 E A -2.5364
131 G A -2.1699
132 E A -2.4270
133 A A -0.9202
134 V A 0.0307
135 L A 0.5967
136 T A 0.1182
137 V A 0.0000
138 D A -1.5428
139 F A 0.0000
140 R A -2.6702
141 D A -2.2553
142 F A -1.0794
143 R A 0.0000
144 P A -0.2228
145 V A 0.9552
146 S A 0.0841
147 R A -0.4799
148 R A -0.9167
149 L A -1.5279
150 R A -2.7318
151 D A -2.5085
152 E A -1.7814
153 S A -1.0764
154 T A -1.1431
155 I A 0.0000
156 G A 0.0000
157 D A -0.6058
158 G A 0.0000
159 L A 0.0000
160 T A -0.9979
161 H A -1.5530
162 L A 0.0000
163 N A 0.0000
164 R A -3.0204
165 R A -2.8118
166 L A 0.0000
167 A A 0.0000
168 G A -1.7525
169 R A -2.3131
170 I A 0.0000
171 F A 0.3316
172 S A -0.5014
173 D A -1.0939
174 L A -0.5699
175 A A -0.2972
176 A A -0.6825
177 G A 0.0000
178 R A -1.2229
179 S A -1.1517
180 Q A -1.1630
181 I A 0.0000
182 L A -1.2619
183 E A -1.7146
184 F A 0.0000
185 L A 0.0000
186 S A -0.8282
187 L A 0.3516
188 H A -0.7261
189 R A -2.4690
190 L A 0.0000
191 D A -3.2704
192 G A -2.4097
193 Q A -2.4353
194 N A -1.7326
195 L A 0.0000
196 M A 0.0000
197 L A 0.0000
198 S A -1.6207
199 N A -1.6522
200 G A -1.9364
201 N A -2.3633
202 T A 0.0000
203 D A -2.6551
204 F A -2.2464
205 D A -3.0992
206 S A -2.7437
207 L A 0.0000
208 R A -3.6907
209 Q A -3.0354
210 T A 0.0000
211 V A 0.0000
212 Q A -2.1796
213 Y A -1.1981
214 L A 0.0000
215 G A -1.2789
216 T A -0.6061
217 L A -0.7717
218 P A -1.6424
219 R A -3.0396
220 E A -2.9236
221 T A -2.0275
222 P A -1.8128
223 W A 0.0000
224 A A -1.6403
225 E A -2.6504
226 I A 0.0000
227 R A -3.8097
228 E A -4.1627
229 D A -3.6046
230 M A 0.0000
231 R A -4.2078
232 R A -3.9748
233 R A -3.0327
234 G A -2.7066
235 F A 0.0000
236 A A 0.0000
237 P A -1.0140
238 G A 0.0000
239 W A 0.0000
240 G A 0.0000
241 N A -1.7706
242 T A -1.9620
243 A A 0.0000
244 G A 0.0000
245 R A -2.0792
246 V A 0.0000
247 R A -1.7978
248 E A -1.3281
249 T A 0.0000
250 M A 0.0000
251 R A -2.3733
252 L A -1.4795
253 L A 0.0000
254 M A -1.9645
255 D A -2.7151
256 L A 0.0000
257 L A 0.0000
258 D A -2.2080
259 S A -1.1849
260 P A 0.0000
261 S A -0.9333
262 P A -1.2098
263 A A -0.4616
264 A A -0.7309
265 L A 0.0000
266 E A -0.9726
267 S A -0.5183
268 F A 0.0000
269 L A 0.0000
270 D A -0.9062
271 R A -1.0121
272 I A 0.0000
273 P A 0.0000
274 M A -0.4534
275 I A 0.0000
276 S A 0.0000
277 R A -1.2732
278 I A 0.0000
279 L A 0.0000
280 I A 0.0000
281 V A 0.0000
282 S A 0.0000
283 I A 0.0000
284 H A 0.0000
285 G A 0.0000
286 W A 0.0000
287 F A 0.0000
288 A A 0.0000
289 Q A -1.0980
290 D A -2.6793
291 K A -2.8671
292 V A 0.0000
293 L A -0.6829
294 G A -0.8106
295 R A -0.8647
296 P A -0.6011
297 D A -0.6624
298 T A 0.0000
299 G A -0.4734
300 G A -0.3887
301 Q A -0.2930
302 V A 0.0000
303 V A 0.2716
304 Y A 0.0000
305 I A 0.0000
306 L A 0.0000
307 D A 0.0000
308 Q A 0.0000
309 A A 0.0000
310 R A -0.8002
311 A A 0.0000
312 L A 0.0000
313 E A 0.0000
314 R A -2.3246
315 E A -2.2186
316 M A 0.0000
317 R A -2.6225
318 N A -2.7764
319 R A -2.4191
320 L A 0.0000
321 R A -3.5978
322 Q A -2.7609
323 Q A 0.0000
324 G A -1.7237
325 V A 0.0000
326 D A -2.5493
327 V A -2.2920
328 E A -2.9520
329 P A 0.0000
330 R A -1.2786
331 I A 0.0000
332 L A 0.0000
333 I A 0.0000
334 A A 0.0000
335 T A 0.0000
336 R A 0.0000
337 L A -0.5318
338 I A 0.0000
339 P A -1.5453
340 E A -2.3941
341 S A 0.0000
342 D A -2.7612
343 G A -2.1455
344 T A 0.0000
345 T A -1.7849
346 C A 0.0000
347 D A -2.0366
348 Q A -1.7347
349 R A -1.3548
350 L A -0.5873
351 E A -0.4945
352 P A -0.3104
353 V A 0.0000
354 V A 1.1251
355 G A 0.0840
356 A A -0.8807
357 E A -2.2629
358 N A -1.7835
359 V A 0.0000
360 Q A -0.5628
361 I A 0.0000
362 L A 0.0000
363 R A 0.0000
364 V A 0.0000
365 P A -0.3108
366 F A 0.0000
367 R A -1.4471
368 Y A -1.5324
369 P A -1.6656
370 D A -2.4696
371 G A -1.9453
372 R A -2.1944
373 I A -0.5524
374 H A 0.0000
375 P A -0.8775
376 H A -1.0896
377 W A -0.1973
378 I A 0.0000
379 S A -0.4587
380 R A -0.3193
381 F A -0.7539
382 K A -1.0817
383 I A 0.0000
384 W A 0.0000
385 P A -0.7779
386 W A 0.0000
387 L A 0.0000
388 E A -1.4087
389 R A -2.1424
390 Y A 0.0000
391 A A 0.0000
392 Q A -2.1932
393 D A -1.8436
394 L A 0.0000
395 E A 0.0000
396 R A -2.2487
397 E A -1.5569
398 V A 0.0000
399 L A -1.1917
400 A A -0.9643
401 E A -0.8857
402 L A 0.0000
403 G A -1.1914
404 S A -1.6711
405 R A -2.2693
406 P A 0.0000
407 D A -0.9896
408 L A 0.0000
409 I A 0.0000
410 I A 0.0000
411 G A 0.0000
412 N A 0.0000
413 Y A 0.0000
414 S A 0.0000
415 D A 0.0000
416 G A 0.0000
417 N A 0.0000
418 L A 0.0000
419 V A 0.0000
420 A A 0.0000
421 T A 0.0000
422 L A 0.0000
423 L A 0.0000
424 S A 0.0000
425 E A -1.8255
426 R A -2.2843
427 L A -1.5659
428 G A -1.3905
429 V A 0.0000
430 T A -0.2884
431 Q A 0.0000
432 C A 0.0000
433 N A 0.0000
434 I A 0.0000
435 A A 0.0000
436 H A -0.2611
437 A A -0.4149
438 L A 0.0000
439 E A 0.0000
440 K A -0.4311
441 S A -0.5918
442 K A -1.2664
443 Y A 0.2210
444 L A 1.3683
445 Y A 0.7757
446 S A 0.0000
447 D A 0.0000
448 L A 0.0000
449 H A -1.2795
450 W A 0.0000
451 R A -3.5281
452 D A -3.6942
453 H A -3.1547
454 E A -3.3475
455 Q A -3.2946
456 D A -3.0275
457 H A -2.1129
458 H A 0.0000
459 F A 0.0000
460 A A 0.0000
461 C A 0.0000
462 Q A 0.0000
463 F A 0.0000
464 T A 0.0000
465 A A 0.0000
466 D A 0.0000
467 L A 0.0000
468 I A 0.0000
469 A A 0.0000
470 M A 0.0000
471 N A 0.0000
472 A A -0.3163
473 A A 0.0000
474 D A 0.0000
475 I A 0.0000
476 I A 0.0000
477 V A 0.0000
478 T A 0.0000
479 S A 0.1059
480 T A 0.0000
481 Y A 0.0581
482 Q A 0.0000
483 E A 0.0000
484 I A 0.0000
485 A A 0.0000
486 G A 0.0000
487 N A -1.8068
488 D A -3.2412
489 R A -2.9447
490 E A -1.4145
491 I A -0.3598
492 G A 0.0000
493 Q A -0.4001
494 Y A 0.0000
495 E A 0.0000
496 G A -0.1241
497 H A 0.0000
498 Q A -0.5342
499 D A -0.6136
500 Y A 0.0000
501 T A 0.0000
502 L A 0.0000
503 P A 0.0000
504 G A -0.4842
505 L A 0.2915
506 Y A 0.0000
507 R A 0.0000
508 V A 0.0000
509 E A -1.1533
510 N A -1.4172
511 G A 0.0000
512 I A 0.0000
513 D A -0.8161
514 V A 0.0000
515 F A 0.0000
516 D A 0.0000
517 S A 0.0000
518 K A 0.0000
519 F A 0.0000
520 N A 0.0000
521 I A 0.1862
522 V A 0.0000
523 S A -0.3090
524 P A 0.0000
525 G A 0.0000
526 A A -0.2787
527 D A 0.0000
528 P A -1.0157
529 R A -1.6139
530 F A -1.0404
531 Y A 0.0000
532 F A 0.0000
533 S A -0.9011
534 Y A -1.0474
535 A A -1.4406
536 R A -2.9475
537 T A -2.4945
538 E A -3.3939
539 E A -3.5476
540 R A -2.1187
541 P A -0.6318
542 S A -0.4840
543 F A 0.9078
544 L A 0.0000
545 E A -2.3211
546 P A -2.1290
547 E A -2.5438
548 I A 0.0000
549 E A -2.4590
550 S A -2.2055
551 L A 0.0000
552 L A 0.0000
553 F A -1.5038
554 G A -1.9870
555 R A -2.7868
556 E A -2.9332
557 P A -1.9251
558 G A -1.6342
559 A A -1.2261
560 D A -1.7807
561 R A -1.7109
562 R A -1.4573
563 G A -1.2651
564 V A -1.5299
565 L A 0.0000
566 E A -2.6268
567 D A -2.3349
568 R A -2.5011
569 Q A -2.3345
570 K A -1.8387
571 P A -1.4328
572 L A 0.0000
573 L A 0.0000
574 L A 0.0000
575 S A 0.0000
576 M A -0.0737
577 A A -0.6020
578 R A -1.7725
579 M A 0.0000
580 D A -1.5867
581 R A -0.4628
582 I A 1.4934
583 K A 0.1300
584 N A -0.1085
585 L A 0.0000
586 S A 0.0000
587 G A -0.5976
588 L A 0.0000
589 A A 0.0000
590 E A -1.5368
591 L A 0.0000
592 Y A 0.0000
593 G A 0.0000
594 R A -2.0279
595 S A -1.8267
596 S A -1.0551
597 R A -1.5300
598 L A 0.0000
599 R A -1.0089
600 G A -0.8504
601 L A -0.8787
602 A A 0.0000
603 N A 0.0000
604 L A 0.0000
605 V A 0.0000
606 I A 0.0000
607 I A 0.0000
608 G A 0.0000
609 G A -1.1682
610 H A -1.5886
611 V A 0.0000
612 D A -2.4725
613 V A -2.2934
614 G A -1.8027
615 N A -2.6645
616 S A 0.0000
617 R A -3.2105
618 D A -3.4157
619 A A -2.5250
620 E A -3.1438
621 E A -3.4109
622 R A -3.8457
623 E A -3.7797
624 E A 0.0000
625 I A 0.0000
626 R A -3.8646
627 R A -3.6677
628 M A 0.0000
629 H A -2.8594
630 E A -3.8957
631 I A 0.0000
632 M A 0.0000
633 D A -3.6259
634 H A -2.7363
635 Y A -2.1404
636 Q A -2.5910
637 L A 0.0000
638 D A -2.0215
639 G A -1.5460
640 Q A -1.4513
641 L A 0.0000
642 R A 0.0000
643 W A 0.0000
644 V A 0.0000
645 G A -0.9447
646 A A 0.0659
647 L A 0.8977
648 L A 0.0170
649 D A -1.4790
650 K A -1.3439
651 T A -0.8769
652 V A -0.7345
653 A A 0.0000
654 G A 0.0000
655 E A 0.0000
656 L A 0.0000
657 Y A 0.0000
658 R A 0.0000
659 V A -0.6159
660 V A 0.0000
661 A A 0.0000
662 D A -1.4597
663 G A -1.7747
664 R A -1.8362
665 G A 0.0000
666 V A 0.0000
667 F A 0.0000
668 V A 0.0000
669 Q A 0.0000
670 P A 0.0000
671 A A 0.0000
672 L A 0.9811
673 F A 1.8836
674 E A 0.9075
675 A A 0.4638
676 F A 0.4201
677 G A 0.0000
678 L A 0.2187
679 T A 0.1020
680 V A 0.0000
681 I A 0.0000
682 E A -0.2243
683 A A 0.0000
684 M A 0.0000
685 S A 0.0000
686 S A 0.0000
687 G A 0.0000
688 L A 0.0000
689 P A 0.0000
690 V A 0.0000
691 F A 0.0000
692 A A 0.0000
693 T A 0.0000
694 R A -1.2051
695 F A 0.0833
696 G A 0.0000
697 G A 0.0000
698 P A 0.0000
699 L A -0.6763
700 E A -0.7083
701 I A 0.0000
702 I A 0.0000
703 E A -1.2657
704 D A -1.3257
705 G A -0.2404
706 V A 0.3795
707 S A 0.0000
708 G A 0.0000
709 F A 0.0000
710 H A 0.0000
711 I A 0.0000
712 D A -2.0718
713 P A 0.0000
714 N A -2.2556
715 D A -2.5149
716 H A -2.7339
717 E A -3.2565
718 A A -2.3414
719 T A 0.0000
720 A A 0.0000
721 E A -3.1864
722 R A -2.6868
723 L A 0.0000
724 A A 0.0000
725 D A -2.9969
726 F A 0.0000
727 L A 0.0000
728 E A -2.5071
729 A A -2.6047
730 A A -3.1110
731 R A -3.8884
732 E A -3.9034
733 R A -3.8230
734 P A -3.1423
735 K A -2.9667
736 Y A -2.0431
737 W A 0.0000
738 L A -1.7471
739 E A -2.2245
740 I A 0.0000
741 S A 0.0000
742 D A -1.9696
743 A A -0.9681
744 A A 0.0000
745 L A -0.6271
746 A A -0.9973
747 R A -1.1918
748 V A 0.0000
749 A A -1.4129
750 E A -2.4460
751 R A -2.3109
752 Y A 0.0000
753 T A -1.5961
754 W A 0.0000
755 E A -3.1918
756 R A -3.1948
757 Y A 0.0000
758 A A 0.0000
759 E A -2.8613
760 R A -1.8660
761 L A 0.0000
762 M A 0.0000
763 T A 0.0000
764 I A 0.0000
765 A A 0.0000
766 R A 0.0000
767 I A 0.0000
768 F A 0.0000
769 G A -0.0620
770 F A 0.0000
771 W A 0.0000
772 R A -0.9095
773 F A -0.4234
774 V A -0.4045
775 L A -1.5328
776 D A -3.0525
777 R A -3.4544
778 E A -2.9844
779 S A -2.4742
780 Q A -2.7086
781 V A -1.0722
782 M A 0.0000
783 E A -2.0019
784 R A -2.0811
785 Y A -0.7200
786 L A 0.0000
787 Q A -0.8877
788 M A -0.0495
789 F A 0.0000
790 R A -0.4936
791 H A -0.4114
792 L A 0.7909
793 Q A 0.1146
794 W A 0.0000
795 R A -1.0533
796 P A -0.6922
797 L A -0.4065
798 A A 0.0000
799 H A -1.1676
800 A A -0.5379
801 V A 0.0000
802 P A -0.9864
803 M A -0.8257
804 E A -1.8198
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Laboratory of Theory of Biopolymers 2018