Project name: b929bcc9f688322

Status: done

Started: 2026-07-25 17:06:33
Settings
Chain sequence(s) A: ADLASQCMLGVPSYDRPLVQGDTNDLPVTINADHAKGDYPDDAVFTGSVDIMQGNSRLQADEVQLHQKEAPGQPEPVRTVDALGNVHYDDNQVILKGPKGWANLNTKDTNVWEGDYQMVGRQGRGKADLMKQRGENRYTILDNGSFTSCLPGSDTWSVVGSEIIHDREEQVAEIWNARFKVGPVPIFYSPYLQLPVGDKRRSGFLIPNAKYTTTNYFEFYLPYYWNIAPNMDATITPHYMHRRGNIMWENEFRYLSQAGAGLMELDYLPSDKVYEDEHPNDDSSRRWLFYWNHSGVMDQVWRFNVDYTKVSDPSYFNDFDNKYGSSTDGYATQKFSVGYAVQNFNATVSTKQFQVFSEQNTSSYSAEPQLDVNYYQNDVGPFDTRIYGQAVHFVNTRDDMPEATRVHLEPTINLPLSNNWGSINTEAKFLATHYQQTNLDWYNSRNTTKLDESVNRVMPQFKVDGKMVFERDMEMLAPGYTQTLEPRAQYLYVPYRDQSDIYNYDSSLLQSDYSGLFRDRTYGGLDRIASANQVTTGVTSRIYDDAAVERFNISVGQIYYFTESRTGDDNITWENDDKTGSLVWAGDTYWRISERWGLRGGIQYDTRLDNVATSNSSIEYRRDEDRLVQLNYHYASPEYIQATLPKYYSTAEQYKNGISQVGAVASRPIADRWSIVGAYYYDTNANKQADSMLGVQYSSCCYAIRVGYERKLNGWDNDKQHAVYDNAIGFNIELRGLSSNYGLGTQEMLRSNILPYQNTL
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                                          (00:07:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:49)
Show buried residues

Minimal score value
-4.2985
Maximal score value
2.553
Average score
-0.5334
Total score value
-405.3877

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 A A -1.1399
2 D A -2.2320
3 L A 0.0000
4 A A -0.6907
5 S A -0.1541
6 Q A -0.1857
7 C A 0.0000
8 M A 0.9723
9 L A 1.6758
10 G A 0.6208
11 V A 0.3966
12 P A -0.0355
13 S A -0.6452
14 Y A -1.0682
15 D A -1.8936
16 R A -1.1362
17 P A -0.2016
18 L A 0.8120
19 V A -0.0266
20 Q A -1.3076
21 G A -1.8434
22 D A -2.8965
23 T A -2.1083
24 N A -2.7314
25 D A -2.4844
26 L A -1.1039
27 P A -0.1937
28 V A 0.6697
29 T A 0.3202
30 I A 0.0219
31 N A -1.5952
32 A A -2.0269
33 D A -2.6837
34 H A -2.3307
35 A A -1.8102
36 K A -2.4064
37 G A -2.4700
38 D A -2.7780
39 Y A -1.0243
40 P A -1.5505
41 D A -3.4290
42 D A -3.4226
43 A A 0.0000
44 V A -1.1726
45 F A 0.0000
46 T A -1.6955
47 G A -1.7503
48 S A -1.7642
49 V A 0.0000
50 D A -1.0101
51 I A 0.0382
52 M A 0.1135
53 Q A -0.1565
54 G A -0.7627
55 N A -0.7434
56 S A -0.4014
57 R A -0.3494
58 L A -0.2757
59 Q A -1.3527
60 A A 0.0000
61 D A -1.9442
62 E A -1.4430
63 V A 0.0000
64 Q A -0.6943
65 L A -0.9777
66 H A -2.2394
67 Q A -3.3387
68 K A -3.5620
69 E A -3.0046
70 A A -1.6072
71 P A -1.8601
72 G A -1.7294
73 Q A -2.3806
74 P A -2.6243
75 E A -2.6629
76 P A -1.8922
77 V A -2.3461
78 R A -1.7416
79 T A -1.1329
80 V A 0.0000
81 D A -0.3107
82 A A 0.0000
83 L A -0.3449
84 G A -1.3291
85 N A -2.0921
86 V A 0.0000
87 H A -1.3178
88 Y A -0.2336
89 D A -0.5818
90 D A -0.8180
91 N A -1.1037
92 Q A -1.4533
93 V A -0.4572
94 I A -0.3710
95 L A -0.7807
96 K A -2.3298
97 G A -2.2308
98 P A -1.5127
99 K A -1.3327
100 G A 0.0000
101 W A -0.0053
102 A A -0.4486
103 N A -0.7215
104 L A -0.6918
105 N A -1.4310
106 T A -1.6210
107 K A -2.3211
108 D A -1.8819
109 T A -1.0485
110 N A -0.5351
111 V A 0.0000
112 W A -1.8772
113 E A -3.4815
114 G A 0.0000
115 D A -2.8309
116 Y A -1.1337
117 Q A -0.8791
118 M A -0.4856
119 V A 0.0000
120 G A -0.9001
121 R A -1.1513
122 Q A 0.0000
123 G A 0.0000
124 R A -0.8367
125 G A -1.2641
126 K A -3.2952
127 A A 0.0000
128 D A -3.4019
129 L A -2.2109
130 M A 0.0000
131 K A -0.5774
132 Q A -1.4792
133 R A -1.9338
134 G A -2.1595
135 E A -3.1060
136 N A -2.7972
137 R A -2.5109
138 Y A -1.2246
139 T A -0.4423
140 I A -0.4259
141 L A 0.0000
142 D A -2.5595
143 N A -2.8850
144 G A 0.0000
145 S A -1.3303
146 F A -0.3328
147 T A 0.0000
148 S A 0.0000
149 C A 0.0000
150 L A -0.1378
151 P A -0.7637
152 G A -1.0273
153 S A -1.2203
154 D A -1.8774
155 T A -0.6698
156 W A 0.0000
157 S A -0.1033
158 V A 0.0000
159 V A -0.5584
160 G A 0.0000
161 S A -1.6263
162 E A -1.3658
163 I A 0.0000
164 I A -0.1403
165 H A -0.5501
166 D A 0.0000
167 R A -2.5971
168 E A -2.8884
169 E A -1.9540
170 Q A -2.0274
171 V A 0.0000
172 A A 0.0000
173 E A -0.1019
174 I A 0.0000
175 W A -0.2166
176 N A -0.5223
177 A A 0.0000
178 R A 0.4722
179 F A 1.1771
180 K A 1.1266
181 V A 1.5473
182 G A 0.2916
183 P A 0.5747
184 V A 2.2054
185 P A 1.8090
186 I A 2.5530
187 F A 2.3109
188 Y A 1.6931
189 S A 0.7012
190 P A 0.1567
191 Y A 0.6023
192 L A 0.7350
193 Q A 0.4133
194 L A 0.0000
195 P A 0.0000
196 V A -1.0913
197 G A 0.0000
198 D A -3.2305
199 K A -3.5147
200 R A -2.7693
201 R A -3.0809
202 S A -1.5916
203 G A -0.5767
204 F A 0.0000
205 L A 1.2525
206 I A 0.9323
207 P A 0.6979
208 N A 0.0000
209 A A 0.0000
210 K A 1.5905
211 Y A 2.3862
212 T A 0.0000
213 T A 0.5250
214 T A 0.1676
215 N A 0.0000
216 Y A 1.5931
217 F A 1.6747
218 E A 0.0000
219 F A 1.2252
220 Y A 1.0106
221 L A 1.1302
222 P A 1.0739
223 Y A 1.3722
224 Y A 0.0000
225 W A 1.1847
226 N A 0.1034
227 I A 0.5383
228 A A -0.0386
229 P A -0.8042
230 N A -0.9118
231 M A 0.0002
232 D A 0.0386
233 A A 0.0000
234 T A 0.4321
235 I A 0.7830
236 T A 0.5718
237 P A 0.0000
238 H A 0.0000
239 Y A 0.6636
240 M A 0.0000
241 H A -0.4993
242 R A -0.9516
243 R A 0.0000
244 G A -1.2995
245 N A -0.7848
246 I A 0.6101
247 M A 0.0000
248 W A 0.8054
249 E A 0.0992
250 N A 0.0372
251 E A -0.1980
252 F A 0.2421
253 R A -0.3988
254 Y A 0.2837
255 L A 0.5314
256 S A -0.1972
257 Q A -0.9875
258 A A -0.4062
259 G A 0.0195
260 A A 0.0734
261 G A -0.0355
262 L A 0.2091
263 M A 0.4854
264 E A 0.0000
265 L A 0.8252
266 D A 0.4976
267 Y A 0.6237
268 L A 0.0000
269 P A -0.4228
270 S A -1.2170
271 D A 0.0000
272 K A -3.0548
273 V A -2.2132
274 Y A -2.6936
275 E A -4.2985
276 D A -4.1014
277 E A -3.8219
278 H A -3.6429
279 P A -3.2564
280 N A -3.3666
281 D A -3.9541
282 D A -3.3100
283 S A -2.3939
284 S A 0.0000
285 R A -1.9184
286 R A 0.0000
287 W A 0.2448
288 L A 0.0000
289 F A 0.8009
290 Y A 0.3188
291 W A -0.0271
292 N A -0.8767
293 H A 0.0000
294 S A -0.6495
295 G A -0.1457
296 V A 0.3633
297 M A -0.5734
298 D A -1.9704
299 Q A -1.2349
300 V A -0.0967
301 W A 0.5598
302 R A -0.1281
303 F A 0.4328
304 N A -0.8831
305 V A 0.0000
306 D A -1.7150
307 Y A -0.7151
308 T A -0.2423
309 K A -0.2285
310 V A 0.0000
311 S A -0.2651
312 D A 0.0000
313 P A -0.3801
314 S A -0.4271
315 Y A 0.0000
316 F A 0.0000
317 N A -1.1051
318 D A -0.8369
319 F A 0.0000
320 D A -2.1095
321 N A -2.1053
322 K A -2.2374
323 Y A -0.7835
324 G A -0.9376
325 S A -1.0924
326 S A -0.7843
327 T A -0.4630
328 D A -0.6757
329 G A -0.2162
330 Y A 0.9046
331 A A 0.0000
332 T A -0.3658
333 Q A 0.0000
334 K A -1.1085
335 F A 0.0644
336 S A 0.3919
337 V A 1.4507
338 G A 0.0000
339 Y A 1.1980
340 A A 0.4039
341 V A 0.4111
342 Q A -0.7734
343 N A -0.6854
344 F A 0.5058
345 N A 0.4579
346 A A 0.9896
347 T A 1.0249
348 V A 1.7807
349 S A 0.0000
350 T A -0.1970
351 K A -0.9410
352 Q A -0.5448
353 F A 0.3632
354 Q A 0.2850
355 V A 0.0342
356 F A 0.0000
357 S A -1.5087
358 E A -2.8944
359 Q A -2.6612
360 N A -2.6010
361 T A -1.4520
362 S A -1.2933
363 S A -0.2847
364 Y A -0.3964
365 S A 0.0000
366 A A 0.0000
367 E A -0.7571
368 P A -0.3018
369 Q A 0.0000
370 L A 1.1372
371 D A 0.4877
372 V A 1.0480
373 N A 0.4690
374 Y A 0.7427
375 Y A -0.5643
376 Q A -1.3618
377 N A -2.2250
378 D A -2.0908
379 V A -0.1687
380 G A -0.5160
381 P A -0.3382
382 F A 0.1886
383 D A -0.8622
384 T A -0.3109
385 R A -0.3248
386 I A 1.1497
387 Y A 0.8871
388 G A 1.1720
389 Q A 0.0000
390 A A 0.8838
391 V A 0.0000
392 H A -0.4560
393 F A 0.0000
394 V A -0.6815
395 N A -1.0533
396 T A -1.0750
397 R A -2.2192
398 D A -2.6005
399 D A -1.8078
400 M A -1.3273
401 P A 0.0000
402 E A -1.1928
403 A A 0.0000
404 T A -0.4203
405 R A 0.0000
406 V A 1.1676
407 H A 0.0000
408 L A 2.0275
409 E A 0.0000
410 P A 1.0518
411 T A 0.0000
412 I A 1.0788
413 N A 0.0000
414 L A 0.8861
415 P A 0.4728
416 L A 0.7247
417 S A -0.4889
418 N A -1.3197
419 N A -1.3403
420 W A 0.1391
421 G A -0.0444
422 S A -0.2433
423 I A 0.4550
424 N A 0.2062
425 T A 0.6618
426 E A 0.0000
427 A A 1.0634
428 K A 0.0000
429 F A 2.2284
430 L A 0.0000
431 A A 1.0335
432 T A 0.0000
433 H A -0.4649
434 Y A 0.0000
435 Q A -1.9124
436 Q A 0.0000
437 T A -1.8188
438 N A -1.8390
439 L A 0.0000
440 D A -2.3069
441 W A -1.3783
442 Y A -1.3929
443 N A -2.2535
444 S A -1.8667
445 R A -2.5165
446 N A -1.7857
447 T A -1.1622
448 T A -1.6161
449 K A -2.9849
450 L A 0.0000
451 D A -3.4257
452 E A -3.3661
453 S A -2.3324
454 V A 0.0000
455 N A -1.2292
456 R A 0.0000
457 V A 0.8917
458 M A 0.0000
459 P A 1.0364
460 Q A 0.0000
461 F A 1.2375
462 K A 0.5987
463 V A 0.6982
464 D A -0.1857
465 G A -0.2699
466 K A -0.5003
467 M A 0.5923
468 V A 0.8965
469 F A 0.7227
470 E A -2.1434
471 R A -3.4465
472 D A -3.3031
473 M A 0.0000
474 E A -1.7578
475 M A 0.3997
476 L A 0.7339
477 A A -0.3948
478 P A -1.2498
479 G A -1.6409
480 Y A -1.2367
481 T A -1.9060
482 Q A -1.2386
483 T A -0.6588
484 L A 0.7886
485 E A 0.0000
486 P A 0.3276
487 R A -0.5886
488 A A -0.1665
489 Q A 0.0000
490 Y A 0.8512
491 L A 0.0000
492 Y A 0.9796
493 V A 0.0000
494 P A 0.2954
495 Y A -0.3617
496 R A -1.2353
497 D A -2.3123
498 Q A 0.0000
499 S A -1.8884
500 D A -2.2472
501 I A 0.0000
502 Y A -0.7603
503 N A -0.7990
504 Y A -0.5372
505 D A -0.8757
506 S A 0.0000
507 S A -0.2049
508 L A 0.3878
509 L A -0.1070
510 Q A -1.1066
511 S A -0.8764
512 D A -1.1306
513 Y A -0.3168
514 S A -0.6222
515 G A 0.0000
516 L A 0.0000
517 F A 0.0000
518 R A -1.1547
519 D A -0.7016
520 R A -0.6483
521 T A -0.3497
522 Y A -0.1660
523 G A -0.2014
524 G A -0.6012
525 L A 0.0000
526 D A 0.0000
527 R A 0.0000
528 I A 0.0000
529 A A 0.0000
530 S A 0.0000
531 A A 0.2576
532 N A 0.6648
533 Q A 0.0000
534 V A 1.0903
535 T A 0.0000
536 T A 0.2685
537 G A 0.0000
538 V A 0.9044
539 T A 0.0000
540 S A 0.7095
541 R A -0.0646
542 I A 0.1318
543 Y A 0.0890
544 D A -0.2962
545 D A -1.5822
546 A A -0.3306
547 A A 0.2630
548 V A 1.2409
549 E A 0.2845
550 R A 0.3690
551 F A 0.6901
552 N A 0.2894
553 I A 1.1852
554 S A 0.0000
555 V A 1.2562
556 G A 0.0000
557 Q A 0.5131
558 I A 0.0000
559 Y A 1.1833
560 Y A 0.6586
561 F A 1.2373
562 T A -0.0219
563 E A -1.1521
564 S A -0.9205
565 R A -1.7418
566 T A 0.0000
567 G A -2.0734
568 D A -2.2192
569 D A -2.6240
570 N A -1.9960
571 I A -0.8106
572 T A -1.0172
573 W A -1.7090
574 E A -3.0044
575 N A -3.0231
576 D A -3.2896
577 D A -3.4255
578 K A -2.6398
579 T A -0.8805
580 G A -0.0199
581 S A 0.2238
582 L A 0.0000
583 V A 0.0000
584 W A 0.8834
585 A A 0.0000
586 G A 0.4525
587 D A -0.4977
588 T A 0.2647
589 Y A 0.3452
590 W A 1.0106
591 R A 0.1503
592 I A 0.4921
593 S A -0.6793
594 E A -2.2854
595 R A -2.0900
596 W A 0.1081
597 G A 0.0000
598 L A 0.9298
599 R A -0.5727
600 G A -0.5577
601 G A -0.5902
602 I A 0.3956
603 Q A -0.0200
604 Y A 0.4827
605 D A 0.0000
606 T A -1.4530
607 R A -2.3228
608 L A 0.0000
609 D A -2.5113
610 N A -1.2258
611 V A 0.1891
612 A A 0.0000
613 T A -0.0370
614 S A -0.1811
615 N A -1.1036
616 S A -0.4746
617 S A 0.2002
618 I A 1.3406
619 E A 0.0000
620 Y A 0.0023
621 R A -1.8567
622 R A -3.1174
623 D A -2.9179
624 E A -3.1212
625 D A -2.2059
626 R A -1.9909
627 L A 0.0000
628 V A 0.6287
629 Q A 0.0000
630 L A 1.3817
631 N A 0.2754
632 Y A 0.2966
633 H A -0.3621
634 Y A 0.2087
635 A A 0.0000
636 S A 0.0000
637 P A -0.4149
638 E A -1.3411
639 Y A -0.4461
640 I A 0.0000
641 Q A -0.8812
642 A A -0.5829
643 T A -0.0780
644 L A 0.2900
645 P A -0.4303
646 K A -1.3824
647 Y A -0.3296
648 Y A -0.3474
649 S A -0.8372
650 T A -0.6967
651 A A -0.9872
652 E A -1.8701
653 Q A -1.5396
654 Y A -0.3055
655 K A -1.0429
656 N A -1.0613
657 G A -0.4023
658 I A 0.4878
659 S A -0.1205
660 Q A -0.2409
661 V A 0.6806
662 G A 0.0000
663 A A 0.9424
664 V A 0.0000
665 A A 0.3171
666 S A 0.0000
667 R A -1.3124
668 P A -0.3468
669 I A 1.0231
670 A A 0.1085
671 D A -1.1673
672 R A -0.5111
673 W A 0.6690
674 S A 0.0000
675 I A 0.8179
676 V A 0.0000
677 G A 0.6074
678 A A 0.0000
679 Y A 1.0500
680 Y A 0.0000
681 Y A -0.3606
682 D A -1.2058
683 T A -1.2923
684 N A -1.8786
685 A A -1.7405
686 N A -2.2831
687 K A -2.0571
688 Q A -0.8300
689 A A 0.0000
690 D A 0.0000
691 S A 0.3864
692 M A 0.0000
693 L A 1.6376
694 G A 0.0000
695 V A 1.2001
696 Q A 0.0000
697 Y A 0.8410
698 S A 0.0000
699 S A 0.0000
700 C A 0.0000
701 C A 0.0000
702 Y A 0.3220
703 A A 0.0000
704 I A 0.8608
705 R A 0.7089
706 V A 1.7098
707 G A 1.2883
708 Y A 1.4485
709 E A 0.1146
710 R A -0.3231
711 K A -0.1543
712 L A 0.2962
713 N A -0.0060
714 G A -0.2610
715 W A -1.0811
716 D A -2.3498
717 N A -3.2934
718 D A -3.7614
719 K A -3.7155
720 Q A -3.5270
721 H A -2.1995
722 A A -0.8009
723 V A 0.5541
724 Y A 0.2960
725 D A -0.4220
726 N A -0.2060
727 A A 0.6935
728 I A 1.9855
729 G A 1.4678
730 F A 1.4914
731 N A 0.2192
732 I A 0.6695
733 E A -0.0940
734 L A 0.0000
735 R A 0.0000
736 G A 0.0000
737 L A 0.0000
738 S A -2.0774
739 S A -1.9773
740 N A -1.8498
741 Y A -0.9823
742 G A -1.5529
743 L A 0.0000
744 G A -1.0244
745 T A 0.0000
746 Q A -2.4052
747 E A -2.7442
748 M A 0.0000
749 L A 0.0000
750 R A -2.7968
751 S A -1.8523
752 N A 0.0000
753 I A -0.0749
754 L A 0.0687
755 P A -1.1382
756 Y A 0.0000
757 Q A -1.6655
758 N A -1.0667
759 T A -0.1478
760 L A 0.2842
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Laboratory of Theory of Biopolymers 2018