Project name: S02

Status: done

Started: 2026-05-14 03:51:17
Settings
Chain sequence(s) A: MIEELRQQLLDSPRSWRAFLRHLVASQRDSWLHTDLQRACKTFREQPPEGYPEDIGWLADFVAHTQEAIFRDPWMVFAWRLRPGVWEYVRIHVEQLAVEELSTDEYLQAKEQLVGLGAEGEAVLTVDFEDFRPVSQRLKDESTIGDGLTHLNRHLAGRIWTDLAAGRSQILEFLGLHRLDNQNLMLSNGNTDFDSLRQTVQYLGTLPRETPWAEFREDMRRRGFEPGWGNTAGRVRETMRLLMDLLDSPSPAALESFLDRIPMISNVLIVSIHGWFAQDKVLGRPDTGGQVVYILDQARALEREMRNRLRQQGVDVEPRILIATRLIPESDGTTCDQRLEPVHGAENVQILRVPFRYEDGRIHPHWISRFKVWPYLERYASDLEREVKAELGSRPDLIIGNYSDGNLVATLLSEKLGVTQCNIAHALEKSKYLYSDLHWPDHEQDHHFACQFTADLIAMNAADIIVTSTYQEIAGNDREVGQYESHQDYTLPGLYRVENGIDVFDSKFNIVSPGADPRTYFSYARTEERFSSLWPEIESLLFGREPGPDIRGVLEDRQKPIILSMARMDRIKNLSGLAELYGRSSRLRSLANLVIIGGHVDVQNSMDAEEREEIRRMHEIMDHYQLDGQMRWVGSQLDKTVVGELYRVVADGRGVFVQPALFEAFGLTVIEAMSSGLPVFATRHGGPLEIIEDGVSGFHIDPNDPEATAEKLADFLEAARERPKYWEEISDAALARVSERYTWERYAERLMTIARCFGFWRFVLSRESQVMERYLQMFRHLQWRPLAHAVPME
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                                          (00:13:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:13:41)
Show buried residues

Minimal score value
-4.1533
Maximal score value
1.4004
Average score
-0.9175
Total score value
-727.5663

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 -0.1066
2 I A -1.4130
3 E A -2.7102
4 E A -2.2358
5 L A 0.0000
6 R A -2.0185
7 Q A -2.2618
8 Q A -1.6309
9 L A 0.0000
10 L A -0.2092
11 D A -1.6904
12 S A 0.0000
13 P A -1.2037
14 R A -1.3438
15 S A 0.0000
16 W A 0.0000
17 R A -1.8259
18 A A -1.2044
19 F A 0.0000
20 L A 0.0000
21 R A -1.7140
22 H A -1.1164
23 L A 0.0000
24 V A -1.3168
25 A A -0.9446
26 S A -1.4791
27 Q A -2.1933
28 R A -2.7318
29 D A -2.6911
30 S A 0.0000
31 W A 0.0000
32 L A -0.0656
33 H A -0.8065
34 T A -0.9520
35 D A -1.5168
36 L A 0.0000
37 Q A -1.8876
38 R A -2.9853
39 A A -2.0503
40 C A 0.0000
41 K A -3.7172
42 T A -2.9817
43 F A 0.0000
44 R A -4.1533
45 E A -3.7919
46 Q A -3.2698
47 P A -2.5837
48 P A -1.8916
49 E A -2.2413
50 G A -1.4485
51 Y A -1.1389
52 P A -1.2412
53 E A -1.7228
54 D A -2.2093
55 I A 0.0000
56 G A -1.3751
57 W A -0.8828
58 L A 0.0000
59 A A -1.6160
60 D A -1.8055
61 F A 0.0000
62 V A 0.0000
63 A A -1.1397
64 H A -1.4383
65 T A 0.0000
66 Q A -0.3608
67 E A 0.0000
68 A A 0.0000
69 I A 0.0000
70 F A -1.3178
71 R A -1.5827
72 D A -2.0799
73 P A -1.5889
74 W A -1.1680
75 M A 0.0000
76 V A 0.0000
77 F A 0.0000
78 A A 0.0000
79 W A 0.0000
80 R A 0.0000
81 L A -0.6314
82 R A -2.0315
83 P A 0.0000
84 G A 0.0000
85 V A -0.1549
86 W A -0.1388
87 E A -0.3661
88 Y A 0.0000
89 V A 0.0000
90 R A -1.2368
91 I A 0.0000
92 H A -1.4282
93 V A 0.0000
94 E A -2.1684
95 Q A -1.9108
96 L A 0.0000
97 A A -0.7397
98 V A 0.0000
99 E A -1.6467
100 E A -2.4550
101 L A -1.6184
102 S A -1.2976
103 T A -1.1390
104 D A -1.3146
105 E A -2.1861
106 Y A 0.0000
107 L A 0.0000
108 Q A 0.0000
109 A A -0.7989
110 K A -0.6039
111 E A 0.0000
112 Q A -0.7523
113 L A -0.2776
114 V A 0.1863
115 G A -0.1036
116 L A -0.1445
117 G A 0.0000
118 A A -1.5392
119 E A -2.7319
120 G A -2.1464
121 E A -2.2909
122 A A -0.8059
123 V A 0.3265
124 L A 0.9322
125 T A 0.3041
126 V A 0.0000
127 D A -1.5218
128 F A 0.0000
129 E A -2.7622
130 D A -2.3723
131 F A -1.2372
132 R A -0.9638
133 P A -0.2855
134 V A 0.8955
135 S A 0.3753
136 Q A 0.0000
137 R A -1.1366
138 L A 0.0000
139 K A -2.9933
140 D A -3.1512
141 E A -2.3171
142 S A -1.4521
143 T A -1.4425
144 I A 0.0000
145 G A 0.0000
146 D A -0.6442
147 G A 0.0000
148 L A 0.0000
149 T A -0.7850
150 H A 0.0000
151 L A 0.0000
152 N A 0.0000
153 R A -2.1669
154 H A -1.4609
155 L A 0.0000
156 A A 0.0000
157 G A -1.4058
158 R A -2.1111
159 I A 0.0000
160 W A -0.1739
161 T A -0.6931
162 D A -1.2380
163 L A -0.6628
164 A A -0.2897
165 A A -0.6694
166 G A 0.0000
167 R A -1.3349
168 S A -1.3089
169 Q A -1.1074
170 I A 0.0000
171 L A -1.3432
172 E A -1.9630
173 F A 0.0000
174 L A 0.0000
175 G A -1.1395
176 L A 0.1590
177 H A -0.9087
178 R A -2.7579
179 L A 0.0000
180 D A -3.5847
181 N A -3.1808
182 Q A -2.8735
183 N A -2.2163
184 L A 0.0000
185 M A 0.0000
186 L A 0.0000
187 S A -1.7064
188 N A -2.3454
189 G A -2.1571
190 N A -2.5856
191 T A 0.0000
192 D A -2.4963
193 F A -1.7945
194 D A -2.4602
195 S A -2.4170
196 L A 0.0000
197 R A -3.4873
198 Q A -2.8163
199 T A 0.0000
200 V A -2.3322
201 Q A -2.1013
202 Y A -1.1585
203 L A 0.0000
204 G A -1.2218
205 T A -0.5860
206 L A -0.8591
207 P A -1.6914
208 R A -3.1800
209 E A -3.0109
210 T A -2.0945
211 P A -1.7554
212 W A 0.0000
213 A A -1.3391
214 E A -2.3435
215 F A 0.0000
216 R A -2.7062
217 E A -3.1504
218 D A -2.9382
219 M A 0.0000
220 R A -3.2842
221 R A -3.4583
222 R A -2.8684
223 G A -2.3789
224 F A 0.0000
225 E A -1.5304
226 P A -0.8949
227 G A 0.0000
228 W A 0.0000
229 G A 0.0000
230 N A -1.7503
231 T A -2.1932
232 A A 0.0000
233 G A -2.6049
234 R A -2.9404
235 V A 0.0000
236 R A -2.6815
237 E A -2.7607
238 T A 0.0000
239 M A 0.0000
240 R A -3.1982
241 L A -2.0374
242 L A 0.0000
243 M A -2.4190
244 D A -2.8606
245 L A 0.0000
246 L A 0.0000
247 D A -2.2755
248 S A -1.3452
249 P A -1.1534
250 S A -0.9225
251 P A -0.9670
252 A A -0.4911
253 A A -0.5998
254 L A 0.0000
255 E A -1.0054
256 S A -0.5702
257 F A 0.0000
258 L A 0.0000
259 D A -1.0713
260 R A -1.1908
261 I A 0.0000
262 P A 0.0000
263 M A -0.6620
264 I A 0.0000
265 S A 0.0000
266 N A 0.0000
267 V A 0.0000
268 L A 0.0000
269 I A 0.0000
270 V A 0.0000
271 S A 0.0000
272 I A 0.0000
273 H A 0.0000
274 G A 0.0000
275 W A 0.0000
276 F A 0.0000
277 A A 0.0000
278 Q A -1.4400
279 D A -2.6235
280 K A -2.7421
281 V A 0.0000
282 L A -0.4540
283 G A -0.9306
284 R A -0.6218
285 P A -0.4322
286 D A -0.5550
287 T A 0.0000
288 G A -0.0965
289 G A -0.0106
290 Q A 0.0000
291 V A 0.0000
292 V A 0.9211
293 Y A 0.0000
294 I A 0.0000
295 L A 0.0000
296 D A 0.0390
297 Q A 0.0000
298 A A 0.0000
299 R A -1.1847
300 A A 0.0000
301 L A 0.0000
302 E A 0.0000
303 R A -2.1681
304 E A -2.2245
305 M A 0.0000
306 R A -2.7149
307 N A -2.6890
308 R A -2.3168
309 L A 0.0000
310 R A -3.4966
311 Q A -2.7345
312 Q A 0.0000
313 G A -1.7051
314 V A 0.0000
315 D A -2.7048
316 V A -2.3138
317 E A -3.0291
318 P A 0.0000
319 R A -1.5396
320 I A 0.0000
321 L A 0.0000
322 I A 0.0000
323 A A 0.0000
324 T A 0.0000
325 R A 0.0000
326 L A -0.6746
327 I A 0.0000
328 P A -1.7996
329 E A -2.8765
330 S A -2.4147
331 D A -2.9380
332 G A -2.1952
333 T A 0.0000
334 T A -1.8200
335 C A 0.0000
336 D A -2.0680
337 Q A -1.6877
338 R A -1.3934
339 L A -0.6307
340 E A -0.8597
341 P A -1.0176
342 V A 0.0000
343 H A -1.6183
344 G A -1.2200
345 A A -1.6699
346 E A -2.6828
347 N A -2.1132
348 V A 0.0000
349 Q A -0.9965
350 I A 0.0000
351 L A 0.0000
352 R A 0.0000
353 V A 0.0000
354 P A -0.5486
355 F A 0.0000
356 R A -1.8285
357 Y A -2.2610
358 E A -3.1537
359 D A -3.2747
360 G A -2.5137
361 R A -2.5301
362 I A -0.7913
363 H A 0.0000
364 P A -1.2026
365 H A -1.7654
366 W A -0.9919
367 I A 0.0000
368 S A -0.5812
369 R A -0.3706
370 F A -0.7663
371 K A -1.1460
372 V A 0.0000
373 W A 0.0000
374 P A -0.6611
375 Y A 0.0000
376 L A 0.0000
377 E A -0.9771
378 R A -1.4214
379 Y A 0.0000
380 A A 0.0000
381 S A -1.3841
382 D A -1.5736
383 L A 0.0000
384 E A 0.0000
385 R A -2.6223
386 E A -1.6147
387 V A 0.0000
388 K A -2.2393
389 A A -1.4021
390 E A -1.1862
391 L A 0.0000
392 G A -1.5807
393 S A -1.9905
394 R A -2.5040
395 P A 0.0000
396 D A -1.0406
397 L A 0.0000
398 I A 0.0000
399 I A 0.0000
400 G A 0.0000
401 N A 0.0000
402 Y A 0.0765
403 S A 0.0000
404 D A 0.0000
405 G A 0.0000
406 N A 0.0000
407 L A 0.0000
408 V A 0.0000
409 A A 0.0000
410 T A 0.0000
411 L A -0.6353
412 L A 0.0000
413 S A 0.0000
414 E A -1.7507
415 K A -2.0646
416 L A -1.4328
417 G A -1.3507
418 V A 0.0000
419 T A -0.2829
420 Q A 0.0000
421 C A 0.0000
422 N A 0.0000
423 I A 0.0000
424 A A 0.0000
425 H A -0.1506
426 A A -0.3155
427 L A 0.0000
428 E A 0.0000
429 K A -0.2778
430 S A -0.4538
431 K A -1.1609
432 Y A 0.3616
433 L A 1.4004
434 Y A 0.7900
435 S A 0.0000
436 D A 0.0000
437 L A 0.0000
438 H A -0.7859
439 W A -1.1094
440 P A -1.6726
441 D A -2.7352
442 H A -2.3110
443 E A -2.2120
444 Q A -2.7807
445 D A -2.8970
446 H A -1.8119
447 H A 0.0000
448 F A 0.0000
449 A A 0.0000
450 C A 0.0000
451 Q A 0.0000
452 F A 0.0000
453 T A 0.0000
454 A A 0.0000
455 D A 0.0000
456 L A 0.0000
457 I A 0.0000
458 A A 0.0000
459 M A 0.0000
460 N A 0.0000
461 A A -0.2648
462 A A 0.0000
463 D A 0.0000
464 I A 0.0000
465 I A 0.0000
466 V A 0.0000
467 T A 0.0000
468 S A 0.1006
469 T A 0.0000
470 Y A 0.0236
471 Q A 0.0000
472 E A 0.0000
473 I A 0.0000
474 A A 0.0000
475 G A 0.0000
476 N A -1.6342
477 D A -2.4378
478 R A -2.0073
479 E A -1.5182
480 V A -0.5234
481 G A 0.0000
482 Q A 0.0000
483 Y A 0.0000
484 E A 0.0000
485 S A -0.0710
486 H A 0.0000
487 Q A -0.4729
488 D A -0.6566
489 Y A 0.0000
490 T A 0.0000
491 L A 0.0000
492 P A 0.0000
493 G A -0.1563
494 L A 0.3384
495 Y A 0.0000
496 R A 0.0000
497 V A 0.0000
498 E A -1.1834
499 N A -1.5235
500 G A 0.0000
501 I A 0.0000
502 D A -0.7424
503 V A 0.0000
504 F A 0.0000
505 D A 0.0000
506 S A 0.0000
507 K A -0.3660
508 F A 0.0000
509 N A 0.0000
510 I A 0.1513
511 V A 0.0000
512 S A -0.3932
513 P A 0.0000
514 G A 0.0000
515 A A -0.2116
516 D A 0.0000
517 P A -1.2842
518 R A -2.1096
519 T A 0.0000
520 Y A 0.0000
521 F A -0.7504
522 S A -0.6858
523 Y A -0.7982
524 A A -1.1378
525 R A -2.4181
526 T A -2.1439
527 E A -3.1273
528 E A -3.2850
529 R A -1.7687
530 F A -0.1333
531 S A -0.5056
532 S A -0.1812
533 L A -0.2829
534 W A -0.4030
535 P A -1.3607
536 E A -2.1006
537 I A 0.0000
538 E A -1.6450
539 S A -1.8335
540 L A -0.9031
541 L A 0.0000
542 F A -1.6263
543 G A -1.8313
544 R A -2.8871
545 E A -2.8089
546 P A -1.6643
547 G A -1.0011
548 P A -0.6752
549 D A -0.6150
550 I A -0.3606
551 R A -0.7485
552 G A -1.1995
553 V A -1.5492
554 L A 0.0000
555 E A -3.2279
556 D A -3.1142
557 R A -3.2263
558 Q A -2.7063
559 K A -2.0727
560 P A 0.0000
561 I A 0.0000
562 I A 0.0000
563 L A 0.0000
564 S A 0.0000
565 M A -0.4131
566 A A -1.0364
567 R A -2.3896
568 M A 0.0000
569 D A -2.3766
570 R A -2.3377
571 I A -0.0917
572 K A -0.7397
573 N A -0.8341
574 L A 0.0000
575 S A -1.2712
576 G A -0.8087
577 L A 0.0000
578 A A 0.0000
579 E A -1.3646
580 L A 0.0000
581 Y A 0.0000
582 G A 0.0000
583 R A -2.3355
584 S A -1.9007
585 S A -1.0859
586 R A -1.6040
587 L A 0.0000
588 R A -0.9619
589 S A -0.6171
590 L A -0.9389
591 A A 0.0000
592 N A 0.0000
593 L A 0.0000
594 V A 0.0000
595 I A 0.0000
596 I A 0.0000
597 G A 0.0000
598 G A -1.4247
599 H A -1.4000
600 V A -1.0450
601 D A -1.7786
602 V A -2.0743
603 Q A -2.0039
604 N A -2.1015
605 S A 0.0000
606 M A -0.3512
607 D A -1.8228
608 A A -1.6064
609 E A -2.7953
610 E A -3.0052
611 R A -3.1895
612 E A -3.6603
613 E A 0.0000
614 I A 0.0000
615 R A -3.6215
616 R A -3.3940
617 M A 0.0000
618 H A -2.6594
619 E A -3.7137
620 I A -2.6654
621 M A 0.0000
622 D A -3.5136
623 H A -2.8246
624 Y A -2.1296
625 Q A -2.5340
626 L A 0.0000
627 D A -1.8554
628 G A -1.5748
629 Q A -1.6378
630 M A 0.0000
631 R A 0.0000
632 W A 0.0000
633 V A 0.0000
634 G A 0.0000
635 S A -1.0359
636 Q A -1.8219
637 L A -1.3815
638 D A -2.2530
639 K A -1.8527
640 T A -1.0396
641 V A -0.6723
642 V A 0.0000
643 G A 0.0000
644 E A 0.0000
645 L A 0.0000
646 Y A 0.0000
647 R A 0.0000
648 V A -0.3174
649 V A 0.0000
650 A A 0.0000
651 D A -1.1992
652 G A -1.6617
653 R A -1.6895
654 G A 0.0000
655 V A 0.0000
656 F A 0.0000
657 V A 0.0000
658 Q A 0.0000
659 P A 0.0000
660 A A 0.0000
661 L A 0.0192
662 F A 0.9412
663 E A 0.3775
664 A A 0.2827
665 F A 0.3219
666 G A 0.0000
667 L A 0.2475
668 T A 0.1183
669 V A 0.0000
670 I A 0.0000
671 E A -0.2458
672 A A 0.0000
673 M A 0.0000
674 S A 0.0000
675 S A 0.0000
676 G A 0.0000
677 L A 0.0000
678 P A 0.0000
679 V A 0.0000
680 F A 0.0000
681 A A 0.0000
682 T A 0.0000
683 R A -2.0256
684 H A -0.8360
685 G A 0.0000
686 G A 0.0000
687 P A 0.0000
688 L A -0.9299
689 E A -0.8306
690 I A 0.0000
691 I A 0.0000
692 E A -1.4165
693 D A -1.8878
694 G A -0.5010
695 V A 0.2527
696 S A 0.0000
697 G A 0.0000
698 F A 0.0000
699 H A -1.5840
700 I A 0.0000
701 D A -2.0082
702 P A -1.6484
703 N A -2.1396
704 D A -2.2996
705 P A -2.4479
706 E A -3.1166
707 A A -2.1347
708 T A 0.0000
709 A A 0.0000
710 E A -2.9720
711 K A -2.2408
712 L A 0.0000
713 A A 0.0000
714 D A -2.7704
715 F A 0.0000
716 L A 0.0000
717 E A -2.7494
718 A A -2.6391
719 A A -3.1772
720 R A -3.6812
721 E A -3.8156
722 R A -3.8017
723 P A -3.2700
724 K A -3.3061
725 Y A -2.6260
726 W A 0.0000
727 E A -2.7237
728 E A -2.7284
729 I A 0.0000
730 S A 0.0000
731 D A -2.2156
732 A A -1.1102
733 A A 0.0000
734 L A -0.8296
735 A A -1.1136
736 R A -1.2947
737 V A 0.0000
738 S A -1.7823
739 E A -2.7218
740 R A -2.6698
741 Y A 0.0000
742 T A -1.8431
743 W A 0.0000
744 E A -3.3918
745 R A -3.6550
746 Y A 0.0000
747 A A 0.0000
748 E A -2.9068
749 R A -2.0448
750 L A 0.0000
751 M A 0.0000
752 T A -0.9031
753 I A 0.0000
754 A A 0.0000
755 R A 0.0000
756 C A 0.0000
757 F A 0.0000
758 G A -0.0176
759 F A 0.0000
760 W A 0.2736
761 R A -0.3536
762 F A 0.1377
763 V A -0.0561
764 L A -0.7514
765 S A -1.4217
766 R A -2.6584
767 E A -2.4606
768 S A -2.0443
769 Q A -2.4268
770 V A -1.3000
771 M A -1.1590
772 E A -1.9795
773 R A -2.1624
774 Y A -0.8639
775 L A 0.0000
776 Q A -0.8951
777 M A 0.0124
778 F A 0.0000
779 R A 0.0000
780 H A 0.0121
781 L A 1.1070
782 Q A 0.3053
783 W A 0.0000
784 R A -0.8908
785 P A -0.5765
786 L A -0.3790
787 A A 0.0000
788 H A -1.1722
789 A A -0.5802
790 V A 0.0000
791 P A -0.9712
792 M A -0.8506
793 E A -1.8651
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Laboratory of Theory of Biopolymers 2018