Project name: a83f3e8a51d266a

Status: done

Started: 2026-04-30 20:10:59
Settings
Chain sequence(s) A: AITSNEIGTHDGYDYEFWKDSGGSGSMTLNSGGTFSAQWSNVNNILFRKGKKFDETQTHQQIGNMSINYGATYNPNGNSYLTVYGWTVDPLVEFYIVDSWGTWRPPGGTPKGTINVDGGTYQIYETTRYNQPSIKGTATFQQYWSVRTSKRTSGTISVSEHFRAWESLGMNMGNMYEVALTVEGYQSSGSANVYSNTLTIGGQSGGEGGGGGEAAAKGGGGGQQPGTSTPEVHPKLTTYKCTKSGGCVAQDTSVVLDWNYRWMHDANYNSCTVNGGVNTTLCPDEATCGKNCFIEGVDYAASGVTTSGSSLTMNQYMPSSSGGYSSVSPRLYLLDSDGEYVMLKLNGQELSFDVDLSALPCGENGSLYLSQMDENGGANQYNTAGANYGSGYCDAQCPVQTWRNGTLNTSHQGFCCNEMDILEGNSRANALTPHSCTATACDSAGCGFNPYGSGYKSYYGPGDTVDTSKTFTIITQFNTDNGSPSGNLVSITRKYQQNGVDIPSAQPGGDTISSCPSASAYGGLATMGKALSSGMVLVFSIWNDNSQYMNWLDSGNAGPC
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                                          (00:03:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:17)
Show buried residues

Minimal score value
-2.8723
Maximal score value
2.0061
Average score
-0.5492
Total score value
-307.5612

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 0.0142
2 I A -0.2589
3 T A -0.6611
4 S A -0.9544
5 N A -1.4597
6 E A -0.6861
7 I A 1.1590
8 G A 0.4685
9 T A -0.5319
10 H A -1.5014
11 D A -2.3767
12 G A -1.5991
13 Y A -1.2119
14 D A -0.6766
15 Y A 0.0000
16 E A 0.0000
17 F A 0.0000
18 W A -0.3314
19 K A -1.2235
20 D A -1.3287
21 S A -1.0901
22 G A -1.6002
23 G A -1.6970
24 S A -1.1830
25 G A 0.0000
26 S A -0.5045
27 M A 0.0000
28 T A -0.4176
29 L A -0.5999
30 N A -1.2775
31 S A -1.1100
32 G A -1.4326
33 G A 0.0000
34 T A -0.3763
35 F A 0.0000
36 S A -0.5418
37 A A 0.0000
38 Q A -1.5879
39 W A 0.0000
40 S A -1.6703
41 N A -2.1515
42 V A 0.0000
43 N A -1.7509
44 N A -1.0168
45 I A 0.0000
46 L A 0.0000
47 F A 0.0000
48 R A 0.0000
49 K A 0.0000
50 G A 0.0000
51 K A -0.8702
52 K A -1.1814
53 F A -1.3700
54 D A -2.3416
55 E A -2.2633
56 T A -1.6906
57 Q A -1.7927
58 T A -1.4901
59 H A 0.0000
60 Q A -2.1491
61 Q A -1.9724
62 I A -0.8611
63 G A -1.1995
64 N A -1.1083
65 M A 0.0000
66 S A -0.1408
67 I A 0.0000
68 N A -0.5159
69 Y A 0.0000
70 G A 0.0000
71 A A 0.0000
72 T A -0.3267
73 Y A -0.8573
74 N A -1.8149
75 P A -1.4494
76 N A -1.9717
77 G A -1.1779
78 N A -0.4612
79 S A 0.0000
80 Y A 0.0000
81 L A 0.0000
82 T A 0.0000
83 V A 0.0000
84 Y A 0.0000
85 G A 0.0000
86 W A 0.0000
87 T A 0.0000
88 V A 0.0000
89 D A -2.1380
90 P A -1.4365
91 L A -0.8702
92 V A 0.0000
93 E A -0.2607
94 F A 0.0000
95 Y A 0.0000
96 I A 0.0000
97 V A 0.0000
98 D A 0.0000
99 S A 0.0000
100 W A -0.4114
101 G A -0.5526
102 T A -0.1291
103 W A 0.4277
104 R A -0.3459
105 P A 0.0000
106 P A -0.3779
107 G A -0.5016
108 G A -0.8924
109 T A -0.8767
110 P A -1.2144
111 K A -1.7846
112 G A -0.9093
113 T A -0.6812
114 I A -0.7373
115 N A -1.6501
116 V A 0.0000
117 D A 0.0000
118 G A -1.0334
119 G A 0.0000
120 T A -0.8335
121 Y A 0.0000
122 Q A -0.8036
123 I A 0.0000
124 Y A 0.0000
125 E A -1.1568
126 T A -0.6930
127 T A -0.7091
128 R A -1.0476
129 Y A -0.0873
130 N A -1.3082
131 Q A -1.2880
132 P A -1.0897
133 S A -0.9706
134 I A -0.3314
135 K A -1.5893
136 G A -1.3294
137 T A -1.0482
138 A A -1.0261
139 T A -0.5954
140 F A 0.0000
141 Q A -0.7614
142 Q A 0.0000
143 Y A 0.0000
144 W A 0.0000
145 S A 0.0000
146 V A 0.0000
147 R A -0.8905
148 T A -0.7387
149 S A -1.0620
150 K A -1.7288
151 R A -1.0491
152 T A -0.4964
153 S A -0.3363
154 G A -0.4320
155 T A -0.3338
156 I A 0.0000
157 S A -0.6119
158 V A 0.0000
159 S A 0.0000
160 E A -1.4023
161 H A 0.0000
162 F A 0.0000
163 R A -1.3725
164 A A -0.9068
165 W A 0.0000
166 E A -1.3285
167 S A -0.7212
168 L A -0.6851
169 G A -1.0670
170 M A 0.0000
171 N A -1.8445
172 M A 0.0000
173 G A 0.0000
174 N A -1.7416
175 M A 0.0000
176 Y A -0.8293
177 E A 0.0000
178 V A 0.0000
179 A A 0.0000
180 L A 0.0000
181 T A 0.0000
182 V A 0.0000
183 E A 0.0000
184 G A 0.0000
185 Y A -0.4731
186 Q A -1.7835
187 S A 0.0000
188 S A -1.7279
189 G A -1.5386
190 S A -1.3910
191 A A 0.0000
192 N A -0.7155
193 V A 0.0000
194 Y A 0.8469
195 S A 0.2082
196 N A 0.0000
197 T A -0.4533
198 L A 0.0000
199 T A -0.1633
200 I A 0.5129
201 G A -0.5169
202 G A -1.2131
203 Q A -1.8790
204 S A -1.7893
205 G A -1.7100
206 G A -2.0007
207 E A -2.5923
208 G A -1.8984
209 G A -1.5383
210 G A -1.3498
211 G A -1.4196
212 G A -1.6753
213 E A -2.1022
214 A A -1.1200
215 A A -0.7316
216 A A -0.9919
217 K A -1.9349
218 G A -1.6316
219 G A -1.4102
220 G A -1.3760
221 G A -1.2244
222 G A 0.0000
223 Q A 0.0000
224 Q A -0.7086
225 P A -0.4140
226 G A -0.1618
227 T A -0.2834
228 S A 0.0267
229 T A -0.2194
230 P A -0.1874
231 E A 0.1423
232 V A 1.0173
233 H A -0.0893
234 P A -0.6028
235 K A -2.1749
236 L A 0.0000
237 T A -1.0410
238 T A -0.1408
239 Y A 1.1190
240 K A 0.0603
241 C A 0.2701
242 T A -0.7457
243 K A -1.7917
244 S A -1.1830
245 G A -0.7850
246 G A -0.1936
247 C A 1.2306
248 V A 2.0061
249 A A 0.7681
250 Q A -0.7144
251 D A -2.4004
252 T A 0.0000
253 S A -1.3544
254 V A 0.0000
255 V A 0.0000
256 L A 0.0000
257 D A 0.0000
258 W A 0.0000
259 N A -1.0066
260 Y A 0.1864
261 R A 0.0000
262 W A 0.6724
263 M A 0.0000
264 H A 0.0000
265 D A 0.0000
266 A A -0.4561
267 N A -0.9775
268 Y A 0.2435
269 N A -0.8003
270 S A 0.0788
271 C A 0.0000
272 T A 0.0928
273 V A 0.6776
274 N A -0.8087
275 G A -0.8357
276 G A -0.3234
277 V A 0.2420
278 N A -0.0807
279 T A -0.1224
280 T A -0.2434
281 L A -0.4301
282 C A 0.0000
283 P A -0.7219
284 D A -1.1237
285 E A -1.0695
286 A A -0.8723
287 T A -0.8084
288 C A 0.0000
289 G A 0.0000
290 K A -1.3589
291 N A -0.9323
292 C A 0.0000
293 F A 0.0869
294 I A 0.0000
295 E A 0.0000
296 G A 0.0000
297 V A -0.2406
298 D A -1.4646
299 Y A 0.0000
300 A A -0.5153
301 A A -0.4407
302 S A -0.2674
303 G A 0.0000
304 V A 0.0000
305 T A -0.3429
306 T A -0.6886
307 S A -0.8420
308 G A -1.0525
309 S A -0.8097
310 S A -0.8116
311 L A -0.1626
312 T A -0.3004
313 M A -0.0437
314 N A -0.4096
315 Q A -0.1015
316 Y A 0.7948
317 M A 0.5508
318 P A 0.1917
319 S A -0.1242
320 S A -0.4457
321 S A -0.5233
322 G A -0.6446
323 G A -0.1379
324 Y A 0.9696
325 S A 0.4400
326 S A 0.2452
327 V A 0.4903
328 S A -0.0202
329 P A 0.0000
330 R A -0.1473
331 L A 0.0000
332 Y A 0.0000
333 L A 0.0000
334 L A 0.0000
335 D A -1.8829
336 S A -1.7550
337 D A -1.2852
338 G A -1.0515
339 E A -1.1624
340 Y A 0.0000
341 V A 0.0000
342 M A -0.6090
343 L A -0.6910
344 K A -2.1327
345 L A 0.0000
346 N A 0.0000
347 G A -1.9916
348 Q A -1.8358
349 E A -1.6513
350 L A -0.4596
351 S A -0.4829
352 F A -0.6130
353 D A -2.0764
354 V A -1.7482
355 D A -2.5684
356 L A 0.0000
357 S A -1.2886
358 A A -0.6719
359 L A 0.0000
360 P A -0.1127
361 C A 0.0548
362 G A -0.3412
363 E A -0.5237
364 N A 0.0000
365 G A 0.0000
366 S A 0.0000
367 L A 0.0000
368 Y A 0.0000
369 L A 0.0000
370 S A 0.0000
371 Q A -0.6445
372 M A 0.0000
373 D A -1.3350
374 E A -1.2862
375 N A -1.1681
376 G A 0.0000
377 G A -0.8614
378 A A -0.7365
379 N A -1.0033
380 Q A -1.6547
381 Y A -0.7519
382 N A 0.0000
383 T A -0.6096
384 A A 0.0000
385 G A 0.0000
386 A A 0.0000
387 N A -0.3830
388 Y A 0.0000
389 G A 0.0000
390 S A 0.0000
391 G A 0.0000
392 Y A 0.0000
393 C A 0.0000
394 D A 0.0000
395 A A 0.0000
396 Q A -0.9595
397 C A -0.1626
398 P A 0.2617
399 V A 0.8334
400 Q A -0.1517
401 T A -0.5150
402 W A 0.0000
403 R A -0.9396
404 N A -1.0382
405 G A 0.0000
406 T A -0.7332
407 L A 0.0000
408 N A 0.0000
409 T A -1.0459
410 S A -0.9897
411 H A -1.3598
412 Q A -1.3285
413 G A -0.2877
414 F A -0.1402
415 C A -0.0406
416 C A 0.0000
417 N A 0.0000
418 E A -0.4467
419 M A 0.0000
420 D A 0.0000
421 I A 0.0000
422 L A 0.0000
423 E A -0.2474
424 G A 0.0000
425 N A 0.0000
426 S A 0.0000
427 R A -0.6259
428 A A 0.0000
429 N A 0.0000
430 A A 0.0000
431 L A 0.0000
432 T A 0.0000
433 P A 0.0000
434 H A 0.0000
435 S A 0.0000
436 C A 0.0000
437 T A 0.0233
438 A A 0.0972
439 T A 0.0462
440 A A -0.0812
441 C A 0.0000
442 D A 0.0000
443 S A -0.5638
444 A A -0.2857
445 G A 0.0000
446 C A -0.3034
447 G A -0.5255
448 F A 0.0000
449 N A -0.6745
450 P A 0.0000
451 Y A -1.1546
452 G A -1.1476
453 S A -0.9277
454 G A -1.0839
455 Y A -0.7505
456 K A -1.9767
457 S A -1.2522
458 Y A 0.0000
459 Y A 0.0000
460 G A 0.0000
461 P A -1.2302
462 G A -1.2819
463 D A -1.3655
464 T A -0.6128
465 V A 0.0000
466 D A -1.5321
467 T A 0.0000
468 S A -1.6578
469 K A -2.4497
470 T A -2.2606
471 F A 0.0000
472 T A -1.3548
473 I A 0.0000
474 I A -0.6045
475 T A 0.0000
476 Q A -1.1192
477 F A 0.0000
478 N A -1.6346
479 T A 0.0000
480 D A -2.8723
481 N A -2.6962
482 G A -2.0493
483 S A -1.6283
484 P A -1.6336
485 S A -1.3728
486 G A -2.1177
487 N A -2.3893
488 L A 0.0000
489 V A -0.3664
490 S A -0.3011
491 I A 0.0000
492 T A -0.4251
493 R A 0.0000
494 K A -1.1524
495 Y A 0.0000
496 Q A -1.2479
497 Q A 0.0000
498 N A -1.5058
499 G A -0.6727
500 V A 0.2179
501 D A -1.4428
502 I A -0.7594
503 P A -0.7341
504 S A -0.8396
505 A A -0.6449
506 Q A -0.7309
507 P A -0.7496
508 G A -0.7769
509 G A -0.6984
510 D A 0.0000
511 T A -0.4556
512 I A 0.0000
513 S A -0.1506
514 S A -0.2462
515 C A 0.0000
516 P A -0.4261
517 S A -0.3482
518 A A 0.0000
519 S A -0.3570
520 A A -0.0945
521 Y A 0.0123
522 G A -0.3224
523 G A -0.1368
524 L A -0.2588
525 A A -0.6115
526 T A -0.8266
527 M A 0.0000
528 G A 0.0000
529 K A -2.1918
530 A A 0.0000
531 L A 0.0000
532 S A -1.6785
533 S A -1.0964
534 G A 0.0000
535 M A 0.0000
536 V A 0.0000
537 L A 0.0000
538 V A 0.0000
539 F A 0.1986
540 S A 0.0000
541 I A 0.0000
542 W A -0.4343
543 N A -1.2353
544 D A -1.3809
545 N A -1.6310
546 S A -1.3592
547 Q A -1.3837
548 Y A -0.2851
549 M A 0.0000
550 N A -0.9201
551 W A -0.0485
552 L A 0.0000
553 D A 0.0000
554 S A -0.5905
555 G A -1.1742
556 N A -1.8510
557 A A -1.1837
558 G A 0.0000
559 P A -0.8057
560 C A -0.1255
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Laboratory of Theory of Biopolymers 2018