Project name: 52d4b14b5994398

Status: done

Started: 2026-04-03 02:46:10
Settings
Chain sequence(s) A: MFLNGFKTVIALTMASSFYLAASPLTKPSTPIAATNIQKSADFPIWWKQAVFYQIYPRSFKDSNGDGIGDIPGIIEKLDYLKMLGVDAIWINPHYESPNTDNGYDISDYRKIMKEYGSMADFDRLVAEMNKRGMRLMIDIVINHTSDRHRWFVQSRSGKDNPYRDYYFWRDGKQGQAPNNYPSFFGGSAWQLDKQTDQYYLHYFAPQQPDLNWDNPKVRAELYDILRFWLDKGVSGLRFDTVATFSKIPGFPDLSKAQLKNFAEAYTEGPNIHKYIHEMNRQVLSKYNVATAGEIFGVPVSAMPDYFDRRREELNIAFTFDLIRLDRYPDQRWRRKPWTLSQFRQVISQTDRAAGEFGWNAFFLDNHDNPRQVSHFGDDSPQWRERSAKALATLLLTQRATPFIFQGAELGMTNYPFKNIEEFDDIEVKGFWNDYVASGKVNAAEFLQEVRMTSRDNSRTPMQWNDSVNAGFTQGKPWFHLNPNYKQINAAREVNKPDSVFSYYRQLINLRHQIPALTSGEYRDLDPQNNQVYAYTRILDNEKYLVVVNFKPEQLHYALPDNLTIASSLLENVHQPSLQENASTLTLAPWQAGIYKLN
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                                          (00:06:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:15)
Show buried residues

Minimal score value
-3.4945
Maximal score value
3.1951
Average score
-0.7047
Total score value
-421.42

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 2.3925
2 F A 2.9880
3 L A 2.1850
4 N A 0.2843
5 G A 0.0019
6 F A 0.9451
7 K A -0.4622
8 T A 0.8985
9 V A 2.4854
10 I A 3.1951
11 A A 2.2636
12 L A 2.2410
13 T A 1.3823
14 M A 1.3833
15 A A 0.5954
16 S A 0.5323
17 S A 1.2789
18 F A 2.7573
19 Y A 3.0790
20 L A 2.7262
21 A A 1.0866
22 A A 0.5862
23 S A 0.2264
24 P A 0.1727
25 L A 0.9097
26 T A -0.3178
27 K A -1.5953
28 P A -1.1090
29 S A -0.5948
30 T A -0.0299
31 P A 0.6289
32 I A 1.8671
33 A A 0.7626
34 A A 0.5184
35 T A -0.0740
36 N A -1.0589
37 I A -0.3811
38 Q A -1.8428
39 K A -2.3811
40 S A -1.6628
41 A A -1.2082
42 D A -1.4150
43 F A 0.6134
44 P A 0.3785
45 I A 0.0000
46 W A 0.1034
47 W A 0.0000
48 K A -0.2044
49 Q A -0.6732
50 A A 0.0000
51 V A 0.0000
52 F A 0.0000
53 Y A 0.0000
54 Q A 0.0000
55 I A 0.0000
56 Y A 0.0000
57 P A 0.0000
58 R A -0.1980
59 S A 0.0000
60 F A 0.0000
61 K A -0.7385
62 D A 0.0000
63 S A -1.5364
64 N A -2.1764
65 G A -2.3860
66 D A -2.7884
67 G A 0.0000
68 I A -0.9272
69 G A 0.0000
70 D A 0.0000
71 I A 0.0000
72 P A -1.2066
73 G A 0.0000
74 I A 0.0000
75 I A 0.0000
76 E A -2.4017
77 K A -1.9264
78 L A 0.0000
79 D A -2.6242
80 Y A 0.0000
81 L A 0.0000
82 K A -1.9477
83 M A -0.7097
84 L A 0.0000
85 G A -1.2548
86 V A 0.0000
87 D A -1.0575
88 A A 0.0000
89 I A 0.0000
90 W A 0.0000
91 I A 0.0000
92 N A 0.0000
93 P A 0.0000
94 H A 0.0000
95 Y A 0.0000
96 E A -2.1633
97 S A -1.3610
98 P A -1.0005
99 N A -0.4773
100 T A -0.3100
101 D A 0.0000
102 N A -0.3681
103 G A 0.0000
104 Y A 0.0000
105 D A 0.0000
106 I A 0.0000
107 S A -1.9478
108 D A -2.3286
109 Y A 0.0000
110 R A -2.7107
111 K A -2.9295
112 I A 0.0000
113 M A 0.0000
114 K A -2.3479
115 E A -1.7752
116 Y A 0.0000
117 G A -1.2723
118 S A -1.1805
119 M A -1.2044
120 A A -0.9151
121 D A -1.3146
122 F A 0.0000
123 D A -2.0251
124 R A -2.5088
125 L A 0.0000
126 V A 0.0000
127 A A -2.0728
128 E A -2.3513
129 M A 0.0000
130 N A -2.8170
131 K A -2.6937
132 R A -2.5302
133 G A -2.0471
134 M A 0.0000
135 R A -1.2546
136 L A 0.0000
137 M A 0.0000
138 I A 0.0000
139 D A 0.0000
140 I A 0.0000
141 V A 0.0000
142 I A 0.0000
143 N A 0.0000
144 H A 0.0000
145 T A 0.0000
146 S A 0.0000
147 D A -1.2395
148 R A -2.1867
149 H A 0.0000
150 R A -2.0440
151 W A 0.0000
152 F A 0.0000
153 V A -0.1403
154 Q A -0.8847
155 S A 0.0000
156 R A -1.5050
157 S A -1.2188
158 G A -2.2116
159 K A -3.4151
160 D A -3.0761
161 N A -2.2197
162 P A -1.4033
163 Y A -1.5842
164 R A 0.0000
165 D A -2.7466
166 Y A 0.0000
167 Y A 0.0000
168 F A 0.0000
169 W A 0.0000
170 R A -2.4257
171 D A -3.4945
172 G A -3.2959
173 K A -3.4841
174 Q A -2.8678
175 G A -2.4323
176 Q A -2.6712
177 A A -2.0576
178 P A 0.0000
179 N A 0.0000
180 N A -1.3080
181 Y A 0.0000
182 P A -0.2736
183 S A 0.0000
184 F A 0.0000
185 F A 0.0000
186 G A -0.9287
187 G A -0.9732
188 S A -0.5757
189 A A 0.0000
190 W A 0.0000
191 Q A -0.7398
192 L A -1.4885
193 D A 0.0000
194 K A -2.9775
195 Q A -2.8754
196 T A 0.0000
197 D A -3.4404
198 Q A -2.8415
199 Y A -1.6049
200 Y A 0.0000
201 L A 0.0000
202 H A 0.0000
203 Y A 0.0000
204 F A 0.0000
205 A A 0.0000
206 P A -0.4357
207 Q A -0.7996
208 Q A 0.0000
209 P A 0.0000
210 D A 0.0000
211 L A 0.0000
212 N A -1.4246
213 W A 0.0000
214 D A -2.5224
215 N A -2.1373
216 P A -1.7317
217 K A -2.4847
218 V A 0.0000
219 R A -1.5958
220 A A -1.5811
221 E A -1.6933
222 L A 0.0000
223 Y A 0.0000
224 D A -2.1858
225 I A 0.0000
226 L A 0.0000
227 R A -1.8953
228 F A -1.4145
229 W A 0.0000
230 L A 0.0000
231 D A -2.0883
232 K A -1.6316
233 G A -1.6076
234 V A 0.0000
235 S A -0.5155
236 G A 0.0000
237 L A 0.0000
238 R A 0.0000
239 F A 0.0000
240 D A 0.0000
241 T A 0.0000
242 V A 0.0000
243 A A 0.0000
244 T A 0.0000
245 F A 0.0000
246 S A 0.0000
247 K A 0.0000
248 I A -0.4666
249 P A -0.6335
250 G A -0.8997
251 F A 0.0000
252 P A -1.3255
253 D A -2.3707
254 L A 0.0000
255 S A -1.7431
256 K A -2.3523
257 A A -1.5630
258 Q A -1.9337
259 L A -1.7999
260 K A -2.4813
261 N A -1.9281
262 F A 0.0000
263 A A -1.0330
264 E A -1.5375
265 A A 0.0000
266 Y A 0.0000
267 T A 0.0000
268 E A -2.0138
269 G A 0.0000
270 P A -1.1402
271 N A -1.5862
272 I A 0.0000
273 H A -1.6421
274 K A -2.1660
275 Y A 0.0000
276 I A 0.0000
277 H A -2.2017
278 E A -2.2075
279 M A 0.0000
280 N A -2.3572
281 R A -3.1990
282 Q A -2.8391
283 V A 0.0000
284 L A 0.0000
285 S A -1.9941
286 K A -2.0625
287 Y A -1.2077
288 N A -1.5868
289 V A -0.7787
290 A A 0.0000
291 T A 0.0000
292 A A 0.0000
293 G A 0.0000
294 E A 0.0000
295 I A 0.0000
296 F A 0.0869
297 G A -0.5462
298 V A -0.3189
299 P A -0.1627
300 V A -0.1870
301 S A -0.4711
302 A A -0.2194
303 M A 0.0000
304 P A -0.5903
305 D A -1.4154
306 Y A 0.0000
307 F A 0.0000
308 D A 0.0000
309 R A -2.8026
310 R A -2.9437
311 R A -2.5308
312 E A -2.8733
313 E A 0.0000
314 L A 0.0000
315 N A -0.5839
316 I A 0.0000
317 A A 0.0000
318 F A 0.0000
319 T A 0.0241
320 F A -0.0252
321 D A -0.4457
322 L A 0.0000
323 I A 0.0000
324 R A -0.5004
325 L A -0.3706
326 D A 0.0000
327 R A -0.7645
328 Y A -0.6180
329 P A -1.1567
330 D A -1.5448
331 Q A -1.0610
332 R A -0.9424
333 W A 0.0000
334 R A -1.1006
335 R A -1.1568
336 K A -0.8214
337 P A -0.5047
338 W A -0.2770
339 T A -0.6736
340 L A 0.0000
341 S A -1.4669
342 Q A -1.2418
343 F A 0.0000
344 R A 0.0000
345 Q A -1.3738
346 V A -0.8430
347 I A 0.0000
348 S A -1.3803
349 Q A -1.5373
350 T A -1.1098
351 D A -1.9136
352 R A -2.4563
353 A A -1.3853
354 A A -1.2806
355 G A -1.9103
356 E A -2.0753
357 F A -1.2585
358 G A -1.3144
359 W A 0.0000
360 N A 0.0000
361 A A 0.0000
362 F A 0.0000
363 F A 0.0000
364 L A 0.0000
365 D A 0.0000
366 N A 0.0000
367 H A 0.0000
368 D A -0.2183
369 N A 0.0000
370 P A 0.0000
371 R A 0.0000
372 Q A 0.0000
373 V A 0.0000
374 S A -0.5202
375 H A -0.3096
376 F A 0.0000
377 G A -0.7564
378 D A -1.3497
379 D A -1.5599
380 S A -1.1628
381 P A -1.3236
382 Q A -1.6655
383 W A -1.2538
384 R A 0.0000
385 E A -1.4365
386 R A -1.1195
387 S A 0.0000
388 A A 0.0000
389 K A 0.0000
390 A A 0.0000
391 L A 0.0000
392 A A 0.0000
393 T A 0.0000
394 L A 0.0000
395 L A 0.0000
396 L A 0.0000
397 T A 0.0000
398 Q A 0.0000
399 R A -0.7612
400 A A 0.0000
401 T A 0.0000
402 P A 0.0000
403 F A 0.0000
404 I A 0.0000
405 F A 0.0000
406 Q A 0.0000
407 G A 0.0000
408 A A 0.0000
409 E A 0.0000
410 L A 0.0000
411 G A 0.0000
412 M A 0.0000
413 T A 0.0000
414 N A -0.2639
415 Y A -0.3149
416 P A -0.8141
417 F A 0.0000
418 K A -2.7851
419 N A -2.6359
420 I A -1.9192
421 E A -2.8195
422 E A -2.1561
423 F A 0.0000
424 D A -1.7476
425 D A 0.0000
426 I A -0.5519
427 E A -0.7811
428 V A 0.0000
429 K A -1.8664
430 G A 0.0000
431 F A 0.0000
432 W A -0.9321
433 N A -1.9467
434 D A -1.5187
435 Y A -1.1919
436 V A -1.2763
437 A A -0.9789
438 S A -1.2811
439 G A -1.6406
440 K A -2.2249
441 V A -1.5096
442 N A -1.8229
443 A A -1.1664
444 A A -1.1765
445 E A -1.7817
446 F A 0.0000
447 L A -1.4917
448 Q A -1.9298
449 E A -1.3137
450 V A 0.0000
451 R A -1.1182
452 M A -0.3953
453 T A 0.0000
454 S A 0.0000
455 R A 0.0000
456 D A 0.0000
457 N A 0.0000
458 S A 0.0000
459 R A 0.0000
460 T A 0.0000
461 P A 0.0000
462 M A 0.0000
463 Q A 0.0000
464 W A 0.0000
465 N A -1.2843
466 D A -1.5179
467 S A -0.1302
468 V A 0.7775
469 N A -0.3584
470 A A 0.0000
471 G A -0.2085
472 F A 0.0000
473 T A 0.0000
474 Q A -1.9340
475 G A -2.1036
476 K A -2.2830
477 P A -1.3883
478 W A -0.7116
479 F A 0.0000
480 H A -0.6382
481 L A -0.0435
482 N A 0.0000
483 P A -0.8531
484 N A -1.2247
485 Y A -1.2782
486 K A -2.6284
487 Q A -2.4375
488 I A 0.0000
489 N A 0.0000
490 A A 0.0000
491 A A -1.3508
492 R A -2.7573
493 E A 0.0000
494 V A -1.3971
495 N A -2.4494
496 K A -2.9254
497 P A -2.1281
498 D A -2.5933
499 S A 0.0000
500 V A 0.0000
501 F A 0.0000
502 S A 0.0000
503 Y A 0.0000
504 Y A 0.0000
505 R A -1.2449
506 Q A -1.3913
507 L A 0.0000
508 I A 0.0000
509 N A -2.0018
510 L A -1.1861
511 R A 0.0000
512 H A -1.6603
513 Q A -1.7797
514 I A 0.0000
515 P A -0.6770
516 A A 0.0000
517 L A 0.0000
518 T A 0.0000
519 S A -0.5807
520 G A 0.0000
521 E A -2.1319
522 Y A -1.5061
523 R A -1.5743
524 D A -1.1477
525 L A -1.0380
526 D A -1.6063
527 P A -1.6512
528 Q A -2.0836
529 N A -1.6268
530 N A -1.5640
531 Q A -1.5060
532 V A 0.0000
533 Y A 0.0000
534 A A 0.0000
535 Y A 0.0000
536 T A 0.0000
537 R A 0.0000
538 I A -1.2727
539 L A -1.4655
540 D A -2.6250
541 N A -2.5478
542 E A -2.1171
543 K A -1.6528
544 Y A 0.0000
545 L A 0.0000
546 V A 0.0000
547 V A 0.0000
548 V A 0.0000
549 N A 0.0000
550 F A 0.0000
551 K A -1.7431
552 P A -1.8219
553 E A -2.6978
554 Q A -2.3367
555 L A -1.5395
556 H A -1.1565
557 Y A 0.0000
558 A A -0.5403
559 L A 0.0000
560 P A -1.3632
561 D A -2.3588
562 N A -2.0869
563 L A -1.5156
564 T A -1.8448
565 I A 0.0000
566 A A -1.6038
567 S A -1.0524
568 S A -0.3099
569 L A 0.4110
570 L A 0.0561
571 E A -0.3986
572 N A 0.0000
573 V A -0.7856
574 H A -1.4259
575 Q A -1.0313
576 P A -0.8224
577 S A -0.9455
578 L A -1.1013
579 Q A -2.3400
580 E A -3.1241
581 N A -2.6550
582 A A -1.5070
583 S A -1.2242
584 T A -0.5145
585 L A 0.0000
586 T A -0.6292
587 L A 0.0000
588 A A 0.0000
589 P A -1.3765
590 W A 0.0000
591 Q A 0.0000
592 A A 0.0000
593 G A 0.0000
594 I A 0.0000
595 Y A 0.0000
596 K A -0.8697
597 L A 0.0000
598 N A -2.0890
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Laboratory of Theory of Biopolymers 2018