Project name: 49931491a0cf666

Status: done

Started: 2026-04-16 18:07:16
Settings
Chain sequence(s) A: MGGAPSREATVVYSYLRGTYEIGLIPLTSAFFGRPSGRGEHEGENVLRGHFLQMREDLFAACTLPTRNKVLSWTEIVPNRFTGEDLDAFLEIVDKRLYPTNAAMVADKNSPLLPVPCAVCLVCKDGRERRGSFRWRGRNIVIIGYFGCMDEKLDAAFKTEKRTPRQGMYSITAAVFPSIGDRTFDRVLALAPVMLRGQFVGSVLQLRRGGGEFATPLSERGEMVDVSSEAPSLGAGIGGVVGQSDGLIHEDSAVDSAFEMFVERVSQMSVFVEVVSDNYSSLKSLVENVAFIQIHTQAEPKQCTLDLPPIVQNAFNRTTTASSCEKKADAEGHHAEKSPPQRSSAMEQGSSCCTVQGVSCSLERDDLTDLSSVEPEGSSHLSKVPTEDGGSFHFCTEIVRVHFNERYVSLAIQWLSSFFRKPTLLENGYWVHYCLKKEEEVIRRILCHRDTIVSGWRTSHPELANQYMGDGTDKLLEHVRILQHELQQARKAAEEPTLRKKASTPPTLPCPNTTSMAVLAPPPPPHVMPYAVPPLPSPVYFVQQQPVGNPMFVSLLPFQQVQQVPQVQQIPQFQQVPQIQPLQQISHVQQIPQLQQTQPVQSISHVQQISHVQPIHQVQQISHVQPMPLYHLQPPELQQPSVCYLPFGDGGALPPSYVIPSSLS
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:06:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:52)
Show buried residues

Minimal score value
-4.0697
Maximal score value
3.5476
Average score
-0.6121
Total score value
-406.4603

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 0.0000
2 G A 0.0000
3 G A 0.0000
4 A A 0.0000
5 P A 0.0000
6 S A 0.0000
7 R A -2.3858
8 E A -2.4685
9 A A -1.2367
10 T A -0.5154
11 V A 0.5230
12 V A 0.0000
13 Y A 0.0000
14 S A 0.0000
15 Y A 0.0000
16 L A -0.2322
17 R A -0.5782
18 G A -0.6496
19 T A -0.3519
20 Y A -0.0632
21 E A 0.0000
22 I A 0.0000
23 G A 0.0000
24 L A 0.0000
25 I A 0.0000
26 P A 0.0000
27 L A 0.0000
28 T A 0.0000
29 S A -1.1112
30 A A -0.6112
31 F A 0.0000
32 F A 0.0000
33 G A 0.0000
34 R A -2.4723
35 P A -2.4631
36 S A -2.1673
37 G A -2.4434
38 R A -3.1734
39 G A -3.0502
40 E A -3.5858
41 H A -3.5517
42 E A -3.8074
43 G A -2.3093
44 E A -1.5858
45 N A -1.6816
46 V A -0.8056
47 L A 0.0000
48 R A -0.9618
49 G A -1.0085
50 H A -0.9254
51 F A 0.0000
52 L A -1.2770
53 Q A -1.9356
54 M A 0.0000
55 R A 0.0000
56 E A -2.2434
57 D A -1.4753
58 L A 0.0000
59 F A -0.3948
60 A A -0.2684
61 A A -0.0968
62 C A 0.2594
63 T A 0.5700
64 L A 0.1230
65 P A -0.7911
66 T A -1.3059
67 R A -2.4499
68 N A -1.8297
69 K A -1.1628
70 V A 0.0000
71 L A 0.0000
72 S A 0.0000
73 W A 0.0000
74 T A 0.0000
75 E A -0.3605
76 I A 0.2289
77 V A -0.0849
78 P A -0.4898
79 N A -2.0221
80 R A -2.5740
81 F A 0.0000
82 T A -1.6451
83 G A -1.6102
84 E A -2.0969
85 D A -1.7284
86 L A 0.0000
87 D A -1.8178
88 A A -1.2372
89 F A 0.0000
90 L A 0.0000
91 E A -2.5173
92 I A -1.8498
93 V A 0.0000
94 D A -2.2981
95 K A -2.8390
96 R A -2.4465
97 L A 0.0000
98 Y A -1.2267
99 P A -1.3289
100 T A -1.0054
101 N A -0.9572
102 A A -0.2996
103 A A -0.3205
104 M A 0.0000
105 V A -0.3187
106 A A -0.8621
107 D A -1.7029
108 K A -2.7428
109 N A -2.6007
110 S A -1.6286
111 P A -1.1884
112 L A 0.0000
113 L A -0.0498
114 P A 0.0000
115 V A 0.0000
116 P A 0.0000
117 C A 0.0000
118 A A 0.0000
119 V A 0.0000
120 C A 0.0000
121 L A 0.0000
122 V A 0.0000
123 C A -2.4185
124 K A -3.6280
125 D A -3.7418
126 G A -3.0541
127 R A -4.0697
128 E A -3.8944
129 R A -2.8088
130 R A -2.7542
131 G A -1.7928
132 S A -1.7991
133 F A -1.2730
134 R A -1.9635
135 W A 0.0000
136 R A -1.0753
137 G A -1.1625
138 R A -1.6624
139 N A -2.3055
140 I A 0.0000
141 V A -0.7299
142 I A 0.0000
143 I A 0.0000
144 G A 0.0000
145 Y A 0.0000
146 F A 0.0000
147 G A 0.0000
148 C A 0.0000
149 M A 0.0000
150 D A -1.6901
151 E A -3.0275
152 K A -2.8195
153 L A 0.0000
154 D A 0.0000
155 A A -1.8673
156 A A -1.3206
157 F A 0.0000
158 K A -1.6044
159 T A 0.0000
160 E A -2.8023
161 K A 0.0000
162 R A -1.9560
163 T A -1.2267
164 P A -1.1980
165 R A 0.0000
166 Q A -1.4398
167 G A -1.2502
168 M A -0.9236
169 Y A -0.3769
170 S A 0.0000
171 I A 0.0000
172 T A 0.0000
173 A A 0.0000
174 A A 0.0000
175 V A 0.0000
176 F A -0.3309
177 P A -1.0928
178 S A -0.5558
179 I A 0.0000
180 G A -1.2693
181 D A -2.1700
182 R A -1.9716
183 T A 0.0000
184 F A 0.0000
185 D A -0.8677
186 R A 0.0000
187 V A 0.0000
188 L A 0.0000
189 A A 0.0000
190 L A 0.0000
191 A A 0.0000
192 P A 0.0000
193 V A 0.0000
194 M A 0.0000
195 L A 0.0000
196 R A -0.5384
197 G A -0.7097
198 Q A -0.5946
199 F A 0.0000
200 V A 0.0000
201 G A -0.4976
202 S A 0.0000
203 V A 0.0000
204 L A -1.2168
205 Q A -2.0026
206 L A -1.3125
207 R A -2.2763
208 R A -2.8850
209 G A -1.9481
210 G A -1.8330
211 G A -1.6217
212 E A -1.2615
213 F A 0.7876
214 A A 0.4221
215 T A 0.5348
216 P A 0.4853
217 L A 0.5614
218 S A -0.9971
219 E A -2.8128
220 R A -3.0061
221 G A -2.0663
222 E A -2.1062
223 M A 0.3479
224 V A 1.0935
225 D A -0.1054
226 V A 1.2068
227 S A -0.2172
228 S A -0.8674
229 E A -1.8099
230 A A -0.8578
231 P A -0.4668
232 S A 0.0557
233 L A 1.0921
234 G A 0.3219
235 A A 0.2662
236 G A 0.4574
237 I A 1.6039
238 G A 0.9152
239 G A 1.2081
240 V A 2.2186
241 V A 1.5815
242 G A -0.3051
243 Q A -0.8354
244 S A -0.9127
245 D A -1.7170
246 G A -1.1923
247 L A 0.0303
248 I A 0.0526
249 H A -1.7666
250 E A -2.4750
251 D A -2.3382
252 S A -1.6881
253 A A -1.8703
254 V A -1.6664
255 D A -2.7619
256 S A -1.7003
257 A A 0.0000
258 F A -1.4107
259 E A -2.4971
260 M A -1.6785
261 F A 0.0000
262 V A -1.4177
263 E A -2.7075
264 R A 0.0000
265 V A 0.0000
266 S A -1.8877
267 Q A -1.9552
268 M A 0.0000
269 S A -1.3905
270 V A 0.0000
271 F A 0.0000
272 V A 0.0000
273 E A 0.0000
274 V A 0.0000
275 V A 0.1058
276 S A 0.0000
277 D A -0.5148
278 N A 0.0000
279 Y A -0.9914
280 S A -1.2400
281 S A 0.0000
282 L A 0.0000
283 K A -0.9312
284 S A 0.0000
285 L A 0.0000
286 V A 0.0000
287 E A -0.6084
288 N A 0.0000
289 V A 0.0000
290 A A 0.0000
291 F A 0.0000
292 I A 0.0000
293 Q A 0.0000
294 I A -0.1722
295 H A -0.3672
296 T A -0.7367
297 Q A -1.5045
298 A A 0.0000
299 E A -2.6042
300 P A -2.3095
301 K A -2.6639
302 Q A 0.0000
303 C A 0.0000
304 T A -1.4153
305 L A -1.1861
306 D A -2.0578
307 L A 0.0000
308 P A 0.0000
309 P A -0.6097
310 I A -0.1563
311 V A 0.0000
312 Q A -1.5587
313 N A -1.4021
314 A A 0.0000
315 F A -0.4055
316 N A -1.3643
317 R A -0.9245
318 T A -0.6382
319 T A -0.4050
320 T A -0.5582
321 A A -0.7699
322 S A -1.2129
323 S A -1.4338
324 C A -1.5849
325 E A -3.2767
326 K A -4.0013
327 K A -3.9330
328 A A -3.3242
329 D A -3.9848
330 A A -3.5109
331 E A -3.7266
332 G A -3.0208
333 H A -3.0900
334 H A -2.9982
335 A A -2.5319
336 E A -3.2377
337 K A -3.1207
338 S A -1.8759
339 P A -1.6921
340 P A -1.7497
341 Q A -2.3906
342 R A -2.6745
343 S A -1.4501
344 S A -0.8870
345 A A -0.3700
346 M A -0.2511
347 E A -2.0535
348 Q A -2.0880
349 G A -1.4787
350 S A -0.8519
351 S A -0.0185
352 C A 1.0613
353 C A 1.3059
354 T A 0.9608
355 V A 1.5057
356 Q A -0.1052
357 G A 0.1836
358 V A 1.5180
359 S A 0.8731
360 C A 1.2308
361 S A 0.5107
362 L A 0.2493
363 E A -2.4473
364 R A -3.5534
365 D A -3.6354
366 D A -2.5721
367 L A -0.1981
368 T A -0.5741
369 D A -1.0386
370 L A 0.9039
371 S A 0.2107
372 S A 0.1378
373 V A 0.6185
374 E A -1.7659
375 P A -1.7299
376 E A -2.5835
377 G A -1.9659
378 S A -1.1907
379 S A -0.7189
380 H A -0.8030
381 L A 0.6589
382 S A -0.1278
383 K A -0.7461
384 V A 0.6831
385 P A -0.9017
386 T A -1.5430
387 E A -2.8007
388 D A -3.2081
389 G A -1.9991
390 G A -1.3362
391 S A -0.1185
392 F A 1.5540
393 H A 0.5577
394 F A 1.3149
395 C A 0.9595
396 T A 0.2184
397 E A -0.1146
398 I A -0.4023
399 V A 0.0000
400 R A 0.0000
401 V A 0.0000
402 H A -0.6427
403 F A 0.0000
404 N A -2.0146
405 E A -2.6706
406 R A -2.7594
407 Y A 0.0000
408 V A 0.0000
409 S A 0.0000
410 L A -0.5379
411 A A 0.0000
412 I A 0.0000
413 Q A -0.5270
414 W A -0.0972
415 L A 0.0000
416 S A 0.0000
417 S A -0.7157
418 F A 0.0000
419 F A 0.0000
420 R A -3.0952
421 K A -2.8258
422 P A -1.1363
423 T A 0.0672
424 L A 1.2431
425 L A 0.3973
426 E A -0.8907
427 N A -1.0820
428 G A 0.2153
429 Y A 0.7718
430 W A 0.0000
431 V A 0.0000
432 H A 0.0000
433 Y A 0.0000
434 C A 0.0000
435 L A 0.0000
436 K A -2.7275
437 K A -2.9413
438 E A 0.0000
439 E A -3.1742
440 E A -2.0596
441 V A 0.0342
442 I A 0.0000
443 R A -2.0922
444 R A -1.7882
445 I A -0.4474
446 L A 0.0000
447 C A -0.7109
448 H A -1.1294
449 R A 0.0000
450 D A -1.2300
451 T A -0.6899
452 I A -0.3288
453 V A 0.0000
454 S A -0.7408
455 G A -0.7502
456 W A 0.0000
457 R A -1.3043
458 T A -1.0437
459 S A -1.0994
460 H A -1.7062
461 P A -1.8884
462 E A -2.6612
463 L A -1.7230
464 A A 0.0000
465 N A -2.6201
466 Q A -2.8503
467 Y A 0.0000
468 M A 0.0000
469 G A -2.3758
470 D A -2.8617
471 G A -2.0951
472 T A 0.0000
473 D A -1.9854
474 K A -1.5175
475 L A 0.0000
476 L A 0.0000
477 E A -1.0851
478 H A 0.0000
479 V A 0.0000
480 R A -1.9680
481 I A -1.3911
482 L A -1.7749
483 Q A -2.4513
484 H A -3.1620
485 E A -3.3920
486 L A -3.0666
487 Q A -3.4963
488 Q A -3.7446
489 A A -2.9805
490 R A -3.8851
491 K A -3.7975
492 A A -2.5419
493 A A -2.3141
494 E A -3.4089
495 E A -3.3094
496 P A -2.4594
497 T A -2.1460
498 L A -1.9086
499 R A -3.3766
500 K A -3.3987
501 K A -3.0235
502 A A -1.9043
503 S A -1.8176
504 T A -1.5562
505 P A -0.6413
506 P A -0.2079
507 T A 0.5090
508 L A 1.4356
509 P A 0.4903
510 C A 0.5120
511 P A -0.3842
512 N A -1.3081
513 T A -0.6285
514 T A -0.2421
515 S A 0.3053
516 M A 1.7111
517 A A 1.7924
518 V A 2.8179
519 L A 2.5061
520 A A 1.1170
521 P A 0.2227
522 P A -0.3432
523 P A -0.7981
524 P A -0.6237
525 P A -0.2935
526 H A -0.0931
527 V A 1.8212
528 M A 1.8380
529 P A 1.5443
530 Y A 2.2687
531 A A 1.5585
532 V A 2.2095
533 P A 1.0767
534 P A 0.7574
535 L A 1.4195
536 P A 0.5006
537 S A 0.5983
538 P A 1.3419
539 V A 3.0239
540 Y A 3.3924
541 F A 3.4031
542 V A 2.2666
543 Q A -0.5193
544 Q A -1.3930
545 Q A -1.6289
546 P A -0.7668
547 V A 0.5786
548 G A -0.3828
549 N A -0.6598
550 P A 0.5447
551 M A 1.9302
552 F A 3.2304
553 V A 3.5476
554 S A 2.5890
555 L A 3.1543
556 L A 2.6818
557 P A 1.3223
558 F A 1.8540
559 Q A -0.3834
560 Q A -1.0041
561 V A 0.6340
562 Q A -1.0036
563 Q A -0.9004
564 V A 1.0394
565 P A -0.1476
566 Q A -0.7222
567 V A 0.8569
568 Q A -0.7886
569 Q A -0.8079
570 I A 1.2877
571 P A 0.0002
572 Q A -0.6012
573 F A 1.0149
574 Q A -0.7771
575 Q A -0.8840
576 V A 1.0733
577 P A -0.1131
578 Q A -0.4897
579 I A 1.2070
580 Q A -0.5018
581 P A -0.2598
582 L A 0.8406
583 Q A -0.7735
584 Q A -0.6697
585 I A 1.2898
586 S A 0.0156
587 H A -0.4691
588 V A 0.9618
589 Q A -0.7678
590 Q A -0.7540
591 I A 1.1999
592 P A -0.1447
593 Q A -0.7797
594 L A 0.3156
595 Q A -1.5765
596 Q A -1.9758
597 T A -1.1182
598 Q A -1.5469
599 P A -0.4991
600 V A 0.9928
601 Q A -0.1920
602 S A 0.3696
603 I A 1.8038
604 S A 0.3417
605 H A -0.3510
606 V A 0.9591
607 Q A -0.7566
608 Q A -0.7081
609 I A 1.3193
610 S A 0.0299
611 H A -0.3419
612 V A 1.1851
613 Q A -0.4082
614 P A 0.0109
615 I A 1.3513
616 H A -0.5659
617 Q A -0.9453
618 V A 0.6939
619 Q A -0.9303
620 Q A -0.7424
621 I A 1.3339
622 S A 0.0304
623 H A -0.3802
624 V A 1.0439
625 Q A -0.5416
626 P A 0.1806
627 M A 1.3361
628 P A 1.0910
629 L A 2.2717
630 Y A 1.9715
631 H A 0.4116
632 L A 0.9888
633 Q A -1.0222
634 P A -0.9179
635 P A -1.1086
636 E A -1.9470
637 L A -0.4044
638 Q A -1.6969
639 Q A -1.5260
640 P A -0.4188
641 S A 0.4200
642 V A 2.3724
643 C A 2.5643
644 Y A 3.1339
645 L A 2.9811
646 P A 1.5519
647 F A 1.7131
648 G A -0.4329
649 D A -1.9562
650 G A -1.1498
651 G A -0.8744
652 A A 0.1307
653 L A 1.1827
654 P A 0.4575
655 P A 0.4388
656 S A 1.1932
657 Y A 2.5054
658 V A 3.1894
659 I A 3.0117
660 P A 1.4629
661 S A 0.7105
662 S A 0.5440
663 L A 1.2439
664 S A 0.4498
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Laboratory of Theory of Biopolymers 2018