Project name: d448a0216d20295

Status: done

Started: 2026-05-22 20:54:19
Settings
Chain sequence(s) A: MRVVRLLRLRAALTLLGEVPRRPASRGVPGSRRTQKGSGARWEKEKHEDGVKWRQLEHKGPYFAPPYEPLPDGVRFFYEGRPVRLSVAAEEVATFYGRMLDHEYTTKEVFRKNFFNDWRKEMAVEEREVIKSLDKCDFTEIHRYFVDKAAARKVLSREEKQKLKEEAEKLQQEFGYCILDGHQEKIGNFKIEPPGLFRGRGDHPKMGMLKRRITPEDVVINCSRDSKIPEPPAGHQWKEVRSDNTVTWLAAWTESVQNSIKYIMLNPCSKLKGETAWQKFETARRLRGFVDEIRSQYRADWKSREMKTRQRAVALYFIDKLALRAGNEKEDGEAADTVGCCSLRVEHVQLHPEADGCQHVVEFDFLGKDCIRYYNRVPVEKPVYKNLQLFMENKDPRDDLFDRLTTTSLNKHLQELMDGLTAKVFRTYNASITLQEQLRALTRAEDSIAAKILSYNRANRVVAILCNHQRATPSTFEKSMQNLQTKIQAKKEQVAEARAELRRARAEHKAQGDGKSRSVLEKKRRLLEKLQEQLAQLSVQATDKEENKQVALGTSKLNYLDPRISIAWCKRFRVPVEKIYSKTQRERFAWALAMAGEDFEF
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.                                          (00:19:00)
Show buried residues

Minimal score value
-5.2204
Maximal score value
2.2837
Average score
-1.3746
Total score value
-826.1328

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 0.3399
2 R A -0.2679
3 V A 1.8808
4 V A 2.1105
5 R A 0.0576
6 L A 1.7247
7 L A 1.3754
8 R A -0.6573
9 L A 0.1851
10 R A -1.0073
11 A A -0.3435
12 A A 0.4551
13 L A 1.6849
14 T A 1.8127
15 L A 2.2837
16 L A 1.8216
17 G A 0.2789
18 E A -0.9629
19 V A 0.2104
20 P A -1.1946
21 R A -2.6937
22 R A -2.7174
23 P A -1.6230
24 A A -1.1327
25 S A -1.2316
26 R A -1.8417
27 G A -0.6256
28 V A 0.9321
29 P A -0.2560
30 G A -0.9134
31 S A -1.8883
32 R A -3.2070
33 R A -3.3974
34 T A -2.7282
35 Q A -2.9579
36 K A -2.8594
37 G A -1.9609
38 S A -1.4976
39 G A -1.3995
40 A A -1.7152
41 R A -1.8793
42 W A -1.9936
43 E A -3.2951
44 K A -3.6268
45 E A -4.0143
46 K A -4.0558
47 H A -3.3639
48 E A -3.4930
49 D A -3.0952
50 G A -1.6289
51 V A -1.8362
52 K A -1.7802
53 W A 0.0000
54 R A -2.7078
55 Q A -2.3798
56 L A 0.0000
57 E A -1.7241
58 H A 0.0000
59 K A -2.2046
60 G A 0.0000
61 P A 0.0000
62 Y A -0.6086
63 F A -0.2544
64 A A -0.5725
65 P A -0.4924
66 P A -0.7882
67 Y A -0.6700
68 E A -1.6968
69 P A -0.8423
70 L A 0.0000
71 P A -1.5079
72 D A -2.5108
73 G A -1.6258
74 V A -1.5717
75 R A -2.4382
76 F A 0.0000
77 F A -2.1520
78 Y A 0.0000
79 E A -3.2606
80 G A -2.5246
81 R A -3.0181
82 P A -2.1006
83 V A -1.6213
84 R A -2.2247
85 L A 0.0000
86 S A 0.0350
87 V A 1.1274
88 A A 0.3246
89 A A 0.0000
90 E A 0.0000
91 E A -0.0685
92 V A 0.0000
93 A A 0.0000
94 T A 0.0000
95 F A -0.3041
96 Y A 0.0000
97 G A 0.0000
98 R A -1.7844
99 M A -1.3800
100 L A -1.5133
101 D A -2.4416
102 H A -2.2801
103 E A -2.4203
104 Y A -1.7739
105 T A 0.0000
106 T A -1.6025
107 K A -2.3110
108 E A -2.4484
109 V A -1.4649
110 F A 0.0000
111 R A -2.1897
112 K A -2.6232
113 N A 0.0000
114 F A 0.0000
115 F A -1.6824
116 N A -2.4658
117 D A -1.9994
118 W A 0.0000
119 R A -2.5376
120 K A -2.6712
121 E A -1.8459
122 M A 0.0000
123 A A -0.4784
124 V A -0.0204
125 E A -1.5844
126 E A 0.0000
127 R A -2.1024
128 E A -2.3626
129 V A -1.1741
130 I A 0.0000
131 K A -2.5258
132 S A -1.9220
133 L A 0.0000
134 D A -3.0066
135 K A -3.1664
136 C A -2.3514
137 D A -2.2464
138 F A 0.0000
139 T A -1.4225
140 E A -1.3817
141 I A 0.0000
142 H A 0.0000
143 R A -2.1592
144 Y A -1.5390
145 F A -1.0640
146 V A -0.7998
147 D A -2.2227
148 K A -2.3063
149 A A -1.4594
150 A A -1.2095
151 A A -1.3488
152 R A -2.5430
153 K A -1.8268
154 V A 0.1276
155 L A -1.2501
156 S A -2.2657
157 R A -3.4722
158 E A -4.2371
159 E A -3.8120
160 K A -3.9663
161 Q A -4.6544
162 K A -4.8411
163 L A -3.6448
164 K A -4.8597
165 E A -5.2204
166 E A -4.6946
167 A A -3.8386
168 E A -4.8551
169 K A -4.4989
170 L A -3.0575
171 Q A -2.8910
172 Q A -3.1049
173 E A -2.7181
174 F A -1.7187
175 G A 0.0000
176 Y A -1.1755
177 C A 0.0000
178 I A -0.7253
179 L A 0.0000
180 D A 0.0000
181 G A -1.1789
182 H A -1.1525
183 Q A -1.4360
184 E A 0.0000
185 K A -1.2799
186 I A 0.0000
187 G A -1.1979
188 N A -1.6132
189 F A 0.0000
190 K A -1.8745
191 I A 0.0000
192 E A -1.5195
193 P A -1.2333
194 P A -1.0007
195 G A 0.0000
196 L A 0.0000
197 F A -0.9986
198 R A -2.3411
199 G A 0.0000
200 R A -3.4975
201 G A -2.8716
202 D A -2.9033
203 H A 0.0000
204 P A -1.3920
205 K A -1.1576
206 M A 0.0000
207 G A 0.0000
208 M A -0.7292
209 L A -0.9680
210 K A -1.2831
211 R A -1.8946
212 R A -1.5336
213 I A 0.0000
214 T A -1.0990
215 P A 0.0000
216 E A -2.1723
217 D A -1.6741
218 V A 0.0000
219 V A -0.7818
220 I A 0.0000
221 N A 0.0000
222 C A 0.0000
223 S A 0.0000
224 R A -3.2856
225 D A -3.2761
226 S A -2.1830
227 K A -2.4327
228 I A -0.9742
229 P A 0.0000
230 E A -2.3006
231 P A -1.6260
232 P A -0.9115
233 A A -0.8212
234 G A -0.9337
235 H A -1.8075
236 Q A -2.4847
237 W A -2.1032
238 K A -2.6359
239 E A -1.8009
240 V A -0.5871
241 R A -1.1476
242 S A -1.5501
243 D A -1.0671
244 N A -1.2852
245 T A -0.7915
246 V A -0.0518
247 T A -0.0387
248 W A 0.0000
249 L A 0.0000
250 A A 0.0000
251 A A 0.0000
252 W A 0.0000
253 T A 0.1470
254 E A 0.0000
255 S A -0.8291
256 V A 0.0000
257 Q A -0.8215
258 N A -1.1023
259 S A 0.0725
260 I A 1.4841
261 K A 0.4788
262 Y A 0.6051
263 I A 0.0000
264 M A -0.2349
265 L A 0.0000
266 N A -0.9409
267 P A -0.8681
268 C A -1.0522
269 S A 0.0000
270 K A -0.5822
271 L A -0.4589
272 K A -0.7708
273 G A 0.0000
274 E A -0.8929
275 T A -0.7975
276 A A -0.7878
277 W A -0.5707
278 Q A -1.1508
279 K A -1.3813
280 F A 0.0000
281 E A -1.3222
282 T A -1.5538
283 A A 0.0000
284 R A -1.9397
285 R A -2.0254
286 L A 0.0000
287 R A -2.1109
288 G A -1.6529
289 F A -0.9710
290 V A 0.0000
291 D A -3.0008
292 E A -2.8705
293 I A 0.0000
294 R A -2.0852
295 S A -2.1894
296 Q A -1.9905
297 Y A 0.0000
298 R A -1.7860
299 A A -1.2314
300 D A -1.8558
301 W A 0.0000
302 K A -2.3194
303 S A -2.4663
304 R A -3.1643
305 E A -3.1025
306 M A -2.0356
307 K A -2.5320
308 T A -1.9524
309 R A -1.9643
310 Q A 0.0000
311 R A -0.8826
312 A A 0.0000
313 V A 0.0000
314 A A 0.0000
315 L A 0.0000
316 Y A 0.0000
317 F A 0.0000
318 I A 0.0000
319 D A 0.0000
320 K A -0.8731
321 L A 0.0000
322 A A 0.0000
323 L A 0.0000
324 R A -1.5468
325 A A -1.2996
326 G A -1.7688
327 N A -2.8050
328 E A -3.8831
329 K A -4.2389
330 E A -4.2911
331 D A -3.9079
332 G A -2.5064
333 E A -2.3708
334 A A -2.4989
335 A A 0.0000
336 D A -3.4363
337 T A -2.0972
338 V A 0.0000
339 G A 0.0000
340 C A 0.0000
341 C A 0.0000
342 S A -1.7535
343 L A 0.0000
344 R A -2.4891
345 V A -2.5436
346 E A -2.7083
347 H A 0.0000
348 V A 0.0000
349 Q A -1.7848
350 L A -1.3213
351 H A -1.8366
352 P A -1.9214
353 E A -2.9568
354 A A -2.4516
355 D A -2.5292
356 G A -1.8708
357 C A -1.7402
358 Q A -2.7689
359 H A -2.2011
360 V A 0.0000
361 V A 0.0000
362 E A -1.4498
363 F A 0.0000
364 D A -1.2691
365 F A 0.0000
366 L A -0.8711
367 G A -1.6420
368 K A -3.0811
369 D A -3.2839
370 C A -2.3997
371 I A -1.6864
372 R A -1.8357
373 Y A 0.0000
374 Y A -0.3361
375 N A -1.1725
376 R A -1.9297
377 V A 0.0000
378 P A -1.7285
379 V A 0.0000
380 E A -2.1193
381 K A -2.7147
382 P A -1.9998
383 V A 0.0000
384 Y A 0.0000
385 K A -1.7772
386 N A 0.0000
387 L A 0.0000
388 Q A -1.0545
389 L A -0.3149
390 F A 0.0000
391 M A -1.9917
392 E A -2.4674
393 N A -2.6192
394 K A -3.3278
395 D A -3.8555
396 P A -3.0224
397 R A -3.7394
398 D A -3.8894
399 D A -3.5756
400 L A 0.0000
401 F A 0.0000
402 D A -2.8134
403 R A -2.8905
404 L A 0.0000
405 T A -1.4576
406 T A 0.0000
407 T A -0.8884
408 S A -1.1933
409 L A 0.0000
410 N A -1.8482
411 K A -2.6111
412 H A -1.8922
413 L A 0.0000
414 Q A -2.7752
415 E A -2.8775
416 L A -1.4975
417 M A 0.0000
418 D A -2.5771
419 G A -1.8925
420 L A 0.0000
421 T A -1.3695
422 A A 0.0000
423 K A -1.9496
424 V A 0.0000
425 F A 0.0000
426 R A 0.0000
427 T A 0.0000
428 Y A 0.0000
429 N A -0.2711
430 A A 0.0000
431 S A 0.0000
432 I A -0.5985
433 T A -0.4239
434 L A 0.0000
435 Q A -1.3871
436 E A -1.7434
437 Q A -1.3140
438 L A 0.0000
439 R A -2.4488
440 A A -1.2939
441 L A -0.8537
442 T A -1.4831
443 R A -2.6039
444 A A -2.0261
445 E A -2.4131
446 D A -1.5543
447 S A -0.9182
448 I A -0.1861
449 A A -0.3482
450 A A -0.3873
451 K A 0.0000
452 I A 0.0386
453 L A -0.0217
454 S A 0.0000
455 Y A 0.0000
456 N A -0.6176
457 R A -1.0082
458 A A 0.0000
459 N A 0.0000
460 R A -0.1950
461 V A 1.0016
462 V A 0.0000
463 A A 0.0000
464 I A 1.7912
465 L A 1.1104
466 C A 0.0000
467 N A 0.1123
468 H A -0.4450
469 Q A -1.7197
470 R A -2.1589
471 A A -1.3038
472 T A -1.5291
473 P A -1.0507
474 S A -0.8878
475 T A -1.2879
476 F A 0.0000
477 E A -3.3832
478 K A -3.4815
479 S A -2.4952
480 M A 0.0000
481 Q A -3.3751
482 N A -3.1709
483 L A -2.4534
484 Q A -2.4204
485 T A -2.2757
486 K A -2.6773
487 I A -2.2310
488 Q A -2.3192
489 A A -2.1197
490 K A -2.5091
491 K A -3.0169
492 E A -3.3536
493 Q A -2.8540
494 V A 0.0000
495 A A -2.5064
496 E A -3.4274
497 A A 0.0000
498 R A -3.2497
499 A A -2.9103
500 E A -3.4301
501 L A -4.0533
502 R A -4.5082
503 R A -4.4141
504 A A 0.0000
505 R A -4.7252
506 A A -3.6956
507 E A -4.3111
508 H A -4.2786
509 K A -3.7525
510 A A -2.4840
511 Q A -3.1277
512 G A -2.8933
513 D A -2.9496
514 G A -2.4741
515 K A -2.8643
516 S A 0.0000
517 R A -4.0238
518 S A -2.5463
519 V A -2.6008
520 L A -3.7317
521 E A -3.5806
522 K A -3.5490
523 K A -4.0319
524 R A -4.9038
525 R A -4.5146
526 L A -3.3022
527 L A 0.0000
528 E A -4.4077
529 K A -3.9704
530 L A 0.0000
531 Q A -3.0952
532 E A -3.4401
533 Q A -2.4594
534 L A -2.0680
535 A A -1.4800
536 Q A -1.3976
537 L A -1.1290
538 S A -0.8513
539 V A -0.5488
540 Q A -1.0514
541 A A 0.0000
542 T A -1.0455
543 D A -1.4776
544 K A -1.8372
545 E A -2.5865
546 E A -2.0425
547 N A 0.0000
548 K A -2.4138
549 Q A -2.3250
550 V A -1.3141
551 A A -0.8918
552 L A -0.3429
553 G A -0.4624
554 T A -0.4227
555 S A 0.0000
556 K A -0.4351
557 L A -0.3451
558 N A -0.6522
559 Y A -0.4801
560 L A 0.0000
561 D A 0.0000
562 P A 0.0000
563 R A 0.0000
564 I A 0.0000
565 S A 0.0000
566 I A 0.0000
567 A A 0.0000
568 W A 0.0000
569 C A 0.0000
570 K A -3.1420
571 R A -2.9644
572 F A -2.1599
573 R A -2.5132
574 V A 0.0000
575 P A -1.5552
576 V A -1.8361
577 E A -3.0050
578 K A -2.2869
579 I A 0.0000
580 Y A 0.0000
581 S A -2.3026
582 K A -2.8263
583 T A -1.7970
584 Q A -1.9084
585 R A -2.2313
586 E A -2.2807
587 R A -1.5809
588 F A 0.0000
589 A A -0.5842
590 W A 0.0000
591 A A 0.0000
592 L A 0.2381
593 A A 0.3411
594 M A 0.5957
595 A A 0.0000
596 G A -2.0970
597 E A -3.9093
598 D A -3.4452
599 F A -2.1925
600 E A -2.4798
601 F A 0.0000
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Laboratory of Theory of Biopolymers 2018