Project name: 37937c9e11514a9

Status: done

Started: 2026-01-19 05:23:49
Settings
Chain sequence(s) A: MGTTARAALVLTYLAVASAASEGGFTATGQRQLRPEHFQEVGYAAPPSPPLSRSLPMDHPDSSQHGPPFEGQSQVQPPPSQEATPLQQEKLLPAQLPAEKEVGPPLPQEAVPLQKELPSLQHPNEQKEGTPAPFGDQSHPEPESWNAAQHCQQDRSQGGWGHRLDGFPPGRPSPDNLNQICLPNRQHVVYGPWNLPQSSYSHLTRQGETLNFLEIGYSRCCHCRSHTNRLECAKLVWEEAMSRFCEAEFSVKTRPHWCCTRQGEARFSCFQEEAPQPHYQLRACPSHQPDISSGLELPFPPGVPTLDNIKNICHLRRFRSVPRNLPATDPLQRELLALIQLEREFQRCCRQGNNHTCTWKAWEDTLDKYCDREYAVKTHHHLCCRHPPSPTRDECFARRAPYPNYDRDILTIDIGRVTPNLMGHLCGNQRVLTKHKHIPGLIHNMTARCCDLPFPEQACCAEEEKLTFINDLCGPRRNIWRDPALCCYLSPGDEQVNCFNINYLRNVALVSGDTENAKGQGEQGSTGGTNISSTSEPKEE
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:11:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:11:09)
Show buried residues

Minimal score value
-3.8461
Maximal score value
3.4934
Average score
-0.9239
Total score value
-498.9051

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 0.7979
2 G A 0.0085
3 T A -0.3529
4 T A -0.4413
5 A A -0.7734
6 R A -1.2819
7 A A 0.2061
8 A A 1.0439
9 L A 2.6369
10 V A 3.3749
11 L A 3.4934
12 T A 2.6110
13 Y A 3.2831
14 L A 2.8802
15 A A 2.0141
16 V A 2.3525
17 A A 1.0539
18 S A 0.2451
19 A A -0.0536
20 A A -0.5799
21 S A -1.2481
22 E A -2.2363
23 G A -1.2073
24 G A -0.1840
25 F A 1.5738
26 T A 0.6654
27 A A 0.0816
28 T A -0.4971
29 G A -1.8133
30 Q A -2.4991
31 R A -3.0217
32 Q A -2.4540
33 L A -1.0267
34 R A -2.6384
35 P A -1.7953
36 E A -2.3115
37 H A -1.9367
38 F A -0.3187
39 Q A -1.5999
40 E A -1.4590
41 V A 0.4230
42 G A -0.2363
43 Y A 1.0945
44 A A 0.4127
45 A A 0.3214
46 P A -0.2759
47 P A -0.6849
48 S A -0.2524
49 P A -0.2232
50 P A -0.0467
51 L A 0.6821
52 S A -0.3199
53 R A -1.2928
54 S A -0.1317
55 L A 0.7316
56 P A 0.0854
57 M A 0.1444
58 D A -1.7319
59 H A -2.2426
60 P A -1.9904
61 D A -2.3090
62 S A -1.7914
63 S A -1.6021
64 Q A -1.9646
65 H A -1.9765
66 G A -1.1886
67 P A -0.7409
68 P A -0.2208
69 F A 0.5564
70 E A -1.5578
71 G A -1.6897
72 Q A -1.7427
73 S A -1.3649
74 Q A -1.1590
75 V A 0.2681
76 Q A -0.9074
77 P A -0.7515
78 P A -0.7522
79 P A -1.1879
80 S A -1.4847
81 Q A -2.2998
82 E A -2.4900
83 A A -1.2544
84 T A -0.3158
85 P A 0.0757
86 L A 0.3177
87 Q A -1.7542
88 Q A -2.6790
89 E A -2.7324
90 K A -1.9828
91 L A 0.7515
92 L A 1.4193
93 P A 0.4999
94 A A 0.1709
95 Q A -0.3574
96 L A 0.5960
97 P A -0.3908
98 A A -1.2860
99 E A -2.8242
100 K A -3.1787
101 E A -2.3502
102 V A -0.0099
103 G A -0.2674
104 P A 0.0496
105 P A 0.1061
106 L A 0.7062
107 P A -0.5983
108 Q A -1.6247
109 E A -1.8815
110 A A -0.1941
111 V A 1.4119
112 P A 0.7195
113 L A 0.7789
114 Q A -1.5820
115 K A -2.5632
116 E A -2.0611
117 L A 0.2257
118 P A 0.1299
119 S A 0.2925
120 L A 0.7124
121 Q A -1.0748
122 H A -1.6583
123 P A -1.9135
124 N A -2.8416
125 E A -3.5041
126 Q A -3.6787
127 K A -3.7491
128 E A -3.1514
129 G A -2.0151
130 T A -1.0408
131 P A -0.4187
132 A A 0.1576
133 P A 0.5814
134 F A 1.0207
135 G A -0.7906
136 D A -2.3034
137 Q A -2.3596
138 S A -2.0916
139 H A -2.2214
140 P A -2.1327
141 E A -2.8218
142 P A -2.0825
143 E A -2.4039
144 S A -1.0335
145 W A -0.0061
146 N A -1.2340
147 A A -0.6773
148 A A -0.9979
149 Q A -1.8877
150 H A -1.8804
151 C A -1.9310
152 Q A -3.0082
153 Q A -3.1958
154 D A -3.8461
155 R A -3.7948
156 S A -2.7942
157 Q A -2.3595
158 G A -1.3914
159 G A -0.7222
160 W A 0.2313
161 G A -0.9678
162 H A -1.2274
163 R A -1.3945
164 L A 0.0000
165 D A -2.0393
166 G A -1.1885
167 F A 0.0000
168 P A 0.0000
169 P A 0.0000
170 G A 0.0000
171 R A -0.8954
172 P A 0.0000
173 S A -1.4289
174 P A -1.7121
175 D A -2.3711
176 N A 0.0000
177 L A 0.0000
178 N A -1.8208
179 Q A -1.4143
180 I A 0.0000
181 C A -0.6314
182 L A -0.4392
183 P A -1.1753
184 N A -1.7604
185 R A -1.4734
186 Q A -1.5550
187 H A -0.8147
188 V A -0.1005
189 V A 0.0935
190 Y A 0.0214
191 G A 0.0000
192 P A -0.1566
193 W A 0.3768
194 N A -0.0275
195 L A 0.0000
196 P A -0.4377
197 Q A -1.2647
198 S A -0.7964
199 S A -0.4210
200 Y A -0.1691
201 S A -0.3601
202 H A -0.6078
203 L A 0.0000
204 T A -0.8781
205 R A -0.9862
206 Q A 0.0000
207 G A 0.0000
208 E A -2.0518
209 T A 0.0000
210 L A -0.5778
211 N A 0.0000
212 F A 0.0000
213 L A 0.0000
214 E A -0.4100
215 I A -0.3937
216 G A 0.0000
217 Y A 0.0000
218 S A -0.4367
219 R A -1.2465
220 C A 0.0000
221 C A 0.0000
222 H A -1.0115
223 C A -1.2964
224 R A -2.0258
225 S A -1.7652
226 H A -2.2733
227 T A -1.8998
228 N A -2.6579
229 R A -2.3453
230 L A -1.7357
231 E A -2.1366
232 C A -1.2082
233 A A 0.0000
234 K A -0.6928
235 L A 0.4774
236 V A -0.0741
237 W A 0.0000
238 E A -0.9178
239 E A -1.1271
240 A A 0.0000
241 M A 0.0000
242 S A -1.5917
243 R A -2.1592
244 F A 0.0000
245 C A 0.0000
246 E A -1.5754
247 A A -0.5682
248 E A 0.0000
249 F A 0.5644
250 S A 0.2015
251 V A -0.1244
252 K A -1.4440
253 T A -1.2940
254 R A -1.6903
255 P A -0.5917
256 H A 0.0000
257 W A 0.4479
258 C A 0.0000
259 C A 0.0000
260 T A -0.5849
261 R A -1.9704
262 Q A -2.4899
263 G A -2.2718
264 E A -2.6200
265 A A -1.8733
266 R A -1.8534
267 F A 0.0000
268 S A -1.6686
269 C A 0.0000
270 F A 0.0000
271 Q A -1.6396
272 E A -2.3251
273 E A -1.4848
274 A A 0.0000
275 P A -1.2330
276 Q A -1.5411
277 P A -1.5838
278 H A -1.7871
279 Y A -1.4126
280 Q A -1.6315
281 L A -1.1348
282 R A -1.7804
283 A A -0.8246
284 C A -1.1572
285 P A -1.1868
286 S A -1.5683
287 H A -1.9635
288 Q A -2.1446
289 P A -1.5075
290 D A -1.7658
291 I A 0.3086
292 S A -0.3192
293 S A 0.0233
294 G A -0.2293
295 L A 0.5268
296 E A -1.0305
297 L A 0.0000
298 P A -0.3025
299 F A -0.3720
300 P A 0.0000
301 P A 0.0000
302 G A 0.0000
303 V A -0.1764
304 P A 0.0000
305 T A -0.0115
306 L A 0.4338
307 D A -1.1245
308 N A 0.0000
309 I A 0.0000
310 K A -1.4025
311 N A -1.4486
312 I A 0.0000
313 C A 0.0000
314 H A -1.9240
315 L A 0.0000
316 R A -2.0844
317 R A -2.8034
318 F A 0.0000
319 R A -1.6056
320 S A -1.2189
321 V A -0.4413
322 P A -1.1923
323 R A -2.2089
324 N A -2.1636
325 L A -0.7181
326 P A -0.5004
327 A A -0.7913
328 T A -0.9641
329 D A -1.9291
330 P A -1.2323
331 L A -0.3800
332 Q A -0.7338
333 R A 0.0000
334 E A -0.1238
335 L A 0.0000
336 L A 0.8178
337 A A 0.0000
338 L A 0.0000
339 I A -0.4407
340 Q A -1.1522
341 L A 0.0000
342 E A -1.6250
343 R A -2.7401
344 E A -2.4488
345 F A 0.0000
346 Q A -3.1524
347 R A -3.2916
348 C A 0.0000
349 C A 0.0000
350 R A -3.3479
351 Q A -2.9512
352 G A -2.2136
353 N A -2.0040
354 N A -1.5372
355 H A -0.7909
356 T A -0.4883
357 C A -1.1448
358 T A 0.0000
359 W A -0.8429
360 K A -2.3048
361 A A 0.0000
362 W A 0.0000
363 E A -2.3981
364 D A -3.2041
365 T A 0.0000
366 L A 0.0000
367 D A -3.1058
368 K A -3.2785
369 Y A 0.0000
370 C A 0.0000
371 D A -2.7206
372 R A -2.3033
373 E A 0.0000
374 Y A -0.5532
375 A A -0.4922
376 V A -0.8897
377 K A -1.4891
378 T A -1.3664
379 H A -1.4673
380 H A -1.2315
381 H A -0.5095
382 L A -0.2549
383 C A 0.0000
384 C A 0.0000
385 R A -1.8445
386 H A -1.2665
387 P A -1.1250
388 P A -1.0211
389 S A -0.6870
390 P A -0.8728
391 T A -0.8877
392 R A 0.0000
393 D A -1.4841
394 E A -2.3266
395 C A -1.9204
396 F A 0.0000
397 A A -1.9328
398 R A -3.1185
399 R A -2.8326
400 A A 0.0000
401 P A -0.8965
402 Y A -0.9046
403 P A -1.1151
404 N A -1.5666
405 Y A 0.0000
406 D A -1.4062
407 R A -1.0449
408 D A -0.7389
409 I A -0.1898
410 L A 0.2844
411 T A -0.0291
412 I A -0.2831
413 D A -0.8143
414 I A 0.0000
415 G A 0.0000
416 R A -0.5385
417 V A 0.0000
418 T A -0.7970
419 P A -0.9829
420 N A -1.5759
421 L A 0.0000
422 M A 0.0000
423 G A -0.8387
424 H A -1.1084
425 L A 0.0000
426 C A -0.8017
427 G A -1.3808
428 N A -2.4438
429 Q A -2.2306
430 R A -2.3520
431 V A -0.8450
432 L A -0.3747
433 T A -1.1117
434 K A -1.9580
435 H A -1.7852
436 K A -2.1265
437 H A -1.3224
438 I A 0.0000
439 P A -1.4663
440 G A -1.3807
441 L A 0.0000
442 I A 0.0000
443 H A -1.8514
444 N A -2.0335
445 M A 0.0000
446 T A -1.3660
447 A A -1.7100
448 R A -2.4704
449 C A 0.0000
450 C A -1.0477
451 D A -1.7722
452 L A -0.6712
453 P A -0.1055
454 F A 0.6920
455 P A -0.1786
456 E A -1.1884
457 Q A -0.9395
458 A A 0.0000
459 C A -0.8701
460 C A -1.1392
461 A A 0.0000
462 E A 0.0000
463 E A -1.7299
464 E A 0.0000
465 K A 0.0000
466 L A -0.9285
467 T A -1.0540
468 F A -1.1335
469 I A 0.0000
470 N A -2.1477
471 D A -2.2931
472 L A 0.0000
473 C A -1.5963
474 G A -2.0945
475 P A -1.9708
476 R A -2.7778
477 R A -2.8467
478 N A -2.0963
479 I A -0.6316
480 W A 0.0000
481 R A -2.1397
482 D A -0.9315
483 P A -0.4608
484 A A 0.3637
485 L A 1.5724
486 C A 0.0000
487 C A 0.0000
488 Y A 1.9511
489 L A 1.0421
490 S A -0.0884
491 P A -0.6027
492 G A -0.9268
493 D A -1.0160
494 E A -1.2773
495 Q A 0.0000
496 V A 0.0000
497 N A -0.8035
498 C A 0.0000
499 F A 0.0000
500 N A 0.0000
501 I A -0.3669
502 N A -0.8027
503 Y A -0.8412
504 L A 0.0000
505 R A -1.2267
506 N A -1.4746
507 V A 0.0000
508 A A -0.5443
509 L A 0.0000
510 V A 0.0000
511 S A -1.8732
512 G A -2.8689
513 D A -3.7406
514 T A -2.7927
515 E A -3.5221
516 N A -3.3185
517 A A -2.5448
518 K A -3.3307
519 G A -3.0474
520 Q A -3.0137
521 G A -2.8284
522 E A -3.4111
523 Q A -2.7741
524 G A -1.8327
525 S A -1.2258
526 T A -0.8160
527 G A -0.8923
528 G A -1.0571
529 T A -0.6546
530 N A -0.4280
531 I A 1.1920
532 S A 0.4167
533 S A -0.1549
534 T A -0.7778
535 S A -1.3732
536 E A -2.4427
537 P A -2.6270
538 K A -3.4981
539 E A -3.6337
540 E A -3.0947
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Laboratory of Theory of Biopolymers 2018