Project name: f55403c6fbe4407

Status: done

Started: 2026-05-01 11:09:02
Settings
Chain sequence(s) A: AITSNEIGTHDGYDYEFWKDSGGSGSMTLNSGGTFSAQWSNVNNILFRKGKKFDETQTHQQIGNMSINYGATYNPNGNSYLTVYGWTVDPLVEFYIVDSWGTWRPPGGTPKGTINVDGGTYQIYETTRYNQPSIKGTATFQQYWSVRTSKRTSGTISVSEHFRAWESLGMNMGNMYEVALTVEGYQSSGSANVYSNTLTIGGQSGGEPAPAPAPAPAPAPAPQQPGTSTPEVHPKLTTYKCTKSGGCVAQDTSVVLDWNYRWMHDANYNSCTVNGGVNTTLCPDEATCGKNCFIEGVDYAASGVTTSGSSLTMNQYMPSSSGGYSSVSPRLYLLDSDGEYVMLKLNGQELSFDVDLSALPCGENGSLYLSQMDENGGANQYNTAGANYGSGYCDAQCPVQTWRNGTLNTSHQGFCCNEMDILEGNSRANALTPHSCTATACDSAGCGFNPYGSGYKSYYGPGDTVDTSKTFTIITQFNTDNGSPSGNLVSITRKYQQNGVDIPSAQPGGDTISSCPSASAYGGLATMGKALSSGMVLVFSIWNDNSQYMNWLDSGNAGPC
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]                                                (00:00:09)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:09)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:09)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:09)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:20)
Show buried residues

Minimal score value
-2.8391
Maximal score value
1.8943
Average score
-0.4995
Total score value
-279.7325

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 0.0281
2 I A -0.2408
3 T A -0.6450
4 S A -0.9275
5 N A -1.4128
6 E A -0.5910
7 I A 1.1974
8 G A 0.4872
9 T A -0.5079
10 H A -1.4292
11 D A -2.2897
12 G A -1.5025
13 Y A -1.1330
14 D A -0.6725
15 Y A 0.0000
16 E A 0.0000
17 F A 0.0000
18 W A -0.3193
19 K A -1.1537
20 D A -1.3551
21 S A -1.1102
22 G A -1.6274
23 G A -1.7280
24 S A -1.2037
25 G A 0.0000
26 S A -0.4976
27 M A 0.0000
28 T A -0.3992
29 L A -0.5384
30 N A -1.2437
31 S A -1.1429
32 G A -1.0507
33 G A 0.0000
34 T A 0.0000
35 F A 0.0000
36 S A -0.6179
37 A A 0.0000
38 Q A -1.6138
39 W A 0.0000
40 S A -1.7251
41 N A -2.1911
42 V A 0.0000
43 N A -1.8438
44 N A -1.0706
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 -0.8693
52 K A -1.2248
53 F A -1.4226
54 D A -2.4137
55 E A -2.4205
56 T A -1.7465
57 Q A -1.7745
58 T A -1.4974
59 H A 0.0000
60 Q A -2.0568
61 Q A -1.9448
62 I A -0.8842
63 G A -1.2277
64 N A -0.9772
65 M A 0.0000
66 S A 0.0000
67 I A 0.0000
68 N A -0.2935
69 Y A 0.0000
70 G A 0.0000
71 A A 0.0000
72 T A -0.4258
73 Y A -0.8909
74 N A -1.8450
75 P A -1.4673
76 N A -1.9646
77 G A -1.1421
78 N A -0.4641
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 -2.1853
90 P A -1.4489
91 L A -0.8622
92 V A 0.0000
93 E A 0.0000
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 0.0000
101 G A -0.6207
102 T A -0.1631
103 W A 0.3552
104 R A -0.4607
105 P A 0.0000
106 P A -0.4107
107 G A -0.5492
108 G A -0.8888
109 T A -0.8455
110 P A -1.1493
111 K A -1.6350
112 G A -0.8362
113 T A -0.6498
114 I A -0.6832
115 N A -1.4430
116 V A -0.9100
117 D A -0.9364
118 G A -0.9105
119 G A -0.9897
120 T A -0.7895
121 Y A 0.0000
122 Q A -0.7824
123 I A 0.0000
124 Y A 0.0000
125 E A -1.1403
126 T A -0.6722
127 T A -0.7094
128 R A -1.0658
129 Y A -0.1056
130 N A -1.3144
131 Q A -1.2966
132 P A -1.0974
133 S A -0.9545
134 I A -0.3109
135 K A -1.5969
136 G A -1.3373
137 T A -1.0496
138 A A -1.0276
139 T A -0.5995
140 F A 0.0000
141 Q A -0.7329
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 -0.9442
148 T A -0.7489
149 S A -1.0754
150 K A -1.8213
151 R A -1.0772
152 T A -0.5220
153 S A -0.3714
154 G A -0.5152
155 T A -0.4416
156 I A 0.0000
157 S A -0.4866
158 V A 0.0000
159 S A 0.0000
160 E A -1.5098
161 H A 0.0000
162 F A 0.0000
163 R A -1.8612
164 A A -1.1405
165 W A 0.0000
166 E A -1.4502
167 S A -0.8165
168 L A -0.6229
169 G A -1.0836
170 M A 0.0000
171 N A -1.8893
172 M A 0.0000
173 G A 0.0000
174 N A -1.8372
175 M A 0.0000
176 Y A -0.8694
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 -0.5313
186 Q A -1.8222
187 S A 0.0000
188 S A -1.7632
189 G A -1.5712
190 S A -1.4385
191 A A 0.0000
192 N A -0.8987
193 V A 0.0000
194 Y A 0.3646
195 S A 0.0000
196 N A 0.0000
197 T A 0.0292
198 L A 0.1853
199 T A 0.0325
200 I A 0.2695
201 G A -1.0501
202 G A -1.3240
203 Q A -1.5691
204 S A -1.0570
205 G A -1.4373
206 G A -1.6547
207 E A -2.2598
208 P A -1.2918
209 A A -0.5148
210 P A -0.3041
211 A A -0.1945
212 P A -0.2940
213 A A -0.1612
214 P A -0.2942
215 A A -0.2258
216 P A -0.3146
217 A A -0.2326
218 P A -0.5685
219 A A -0.6601
220 P A -0.9381
221 A A -0.8841
222 P A -0.5895
223 Q A 0.0000
224 Q A -0.3605
225 P A -0.3319
226 G A -0.1088
227 T A -0.2651
228 S A -0.1019
229 T A -0.2307
230 P A -0.1790
231 E A 0.1467
232 V A 0.7912
233 H A -0.2498
234 P A -0.5655
235 K A -2.1290
236 L A 0.0000
237 T A -1.0204
238 T A -0.0674
239 Y A 1.3066
240 K A 0.4812
241 C A 0.4702
242 T A -0.7692
243 K A -1.7913
244 S A -1.1853
245 G A -0.7612
246 G A -0.1557
247 C A 1.3192
248 V A 1.8943
249 A A 0.8177
250 Q A -0.6080
251 D A -2.1492
252 T A 0.0000
253 S A -1.2800
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 -0.9470
260 Y A 0.1734
261 R A 0.0000
262 W A 0.7291
263 M A 0.0000
264 H A 0.0000
265 D A 0.0000
266 A A -0.5176
267 N A -0.9760
268 Y A 0.2383
269 N A -0.7964
270 S A 0.0844
271 C A 0.0000
272 T A 0.0807
273 V A 0.5782
274 N A -0.8595
275 G A -0.8706
276 G A -0.3667
277 V A 0.1870
278 N A -0.1118
279 T A -0.1447
280 T A -0.2442
281 L A -0.4529
282 C A 0.0000
283 P A -0.7123
284 D A -1.0928
285 E A -0.8736
286 A A -0.6586
287 T A -0.7884
288 C A 0.0000
289 G A 0.0000
290 K A -1.2334
291 N A -1.0146
292 C A 0.0000
293 F A 0.1569
294 I A 0.0000
295 E A 0.0000
296 G A 0.0000
297 V A -0.2593
298 D A -1.4829
299 Y A 0.0000
300 A A -0.5143
301 A A -0.4555
302 S A -0.2763
303 G A 0.0000
304 V A 0.0000
305 T A -0.3299
306 T A -0.6688
307 S A -0.8446
308 G A -1.0428
309 S A -0.7822
310 S A -0.8365
311 L A -0.2206
312 T A -0.3146
313 M A -0.0055
314 N A -0.2601
315 Q A 0.0000
316 Y A 0.8090
317 M A 0.5509
318 P A 0.1609
319 S A -0.1176
320 S A -0.4378
321 S A -0.5218
322 G A -0.6451
323 G A -0.1524
324 Y A 0.9672
325 S A 0.4456
326 S A 0.3407
327 V A 0.5208
328 S A 0.1316
329 P A 0.0000
330 R A -0.2364
331 L A 0.0000
332 Y A 0.0000
333 L A 0.0000
334 L A 0.0000
335 D A -1.6688
336 S A -1.7904
337 D A -1.3195
338 G A -1.0112
339 E A 0.0000
340 Y A 0.0000
341 V A 0.0000
342 M A -0.5702
343 L A -0.8112
344 K A -2.1196
345 L A 0.0000
346 N A 0.0000
347 G A -1.8897
348 Q A -1.6942
349 E A -1.6052
350 L A -0.3681
351 S A -0.4675
352 F A -0.6165
353 D A -2.1566
354 V A 0.0000
355 D A -2.5716
356 L A 0.0000
357 S A -1.2367
358 A A -0.5841
359 L A -0.4147
360 P A -0.1649
361 C A 0.2504
362 G A -0.0599
363 E A -0.1799
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 -0.6158
372 M A 0.0000
373 D A -1.0641
374 E A -0.9911
375 N A 0.0000
376 G A 0.0000
377 G A 0.0000
378 A A 0.0000
379 N A -0.1320
380 Q A -0.0952
381 Y A 0.0335
382 N A 0.0000
383 T A -0.0979
384 A A 0.0000
385 G A 0.0000
386 A A 0.0000
387 N A -0.4807
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 -0.9400
397 C A -0.1993
398 P A 0.0919
399 V A 0.7510
400 Q A -0.1979
401 T A -0.5477
402 W A 0.0000
403 R A -1.0108
404 N A -0.8105
405 G A 0.0000
406 T A -0.5232
407 L A 0.0000
408 N A 0.0000
409 T A -1.0297
410 S A -1.0196
411 H A -1.3904
412 Q A -1.3945
413 G A -0.4004
414 F A -0.1908
415 C A -0.0444
416 C A 0.0000
417 N A 0.0000
418 E A 0.0000
419 M A 0.0000
420 D A 0.0000
421 I A 0.0000
422 L A 0.0000
423 E A -0.2440
424 G A 0.0000
425 N A 0.0000
426 S A 0.0000
427 R A -0.9505
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 0.0218
438 A A 0.0959
439 T A 0.0359
440 A A -0.0859
441 C A 0.0000
442 D A 0.0000
443 S A -0.4935
444 A A -0.2691
445 G A 0.0000
446 C A -0.3178
447 G A -0.5094
448 F A 0.0000
449 N A -0.6858
450 P A 0.0000
451 Y A -1.2159
452 G A -1.1851
453 S A -0.8856
454 G A -1.1308
455 Y A -0.7638
456 K A -1.9670
457 S A -1.1959
458 Y A 0.0000
459 Y A 0.0000
460 G A 0.0000
461 P A -1.1487
462 G A -1.1346
463 D A -1.2974
464 T A -0.5278
465 V A 0.0000
466 D A -1.2163
467 T A 0.0000
468 S A -1.5449
469 K A -2.2171
470 T A -2.1817
471 F A 0.0000
472 T A -1.4575
473 I A 0.0000
474 I A -0.7117
475 T A 0.0000
476 Q A -1.1332
477 F A 0.0000
478 N A -1.5616
479 T A 0.0000
480 D A -2.8391
481 N A -2.6814
482 G A -2.0041
483 S A -1.5785
484 P A -1.5890
485 S A -1.3797
486 G A -2.1093
487 N A -2.3854
488 L A 0.0000
489 V A -0.3075
490 S A 0.0000
491 I A 0.0000
492 T A -0.5970
493 R A 0.0000
494 K A -1.4735
495 Y A 0.0000
496 Q A -1.3834
497 Q A 0.0000
498 N A -1.4566
499 G A -0.6909
500 V A 0.1873
501 D A -1.5277
502 I A -0.8571
503 P A -0.7927
504 S A -0.8905
505 A A -0.6484
506 Q A -0.6558
507 P A -0.7115
508 G A -0.7566
509 G A -0.7291
510 D A 0.0000
511 T A -0.4771
512 I A 0.0000
513 S A -0.1388
514 S A -0.2704
515 C A 0.0000
516 P A -0.4499
517 S A -0.3794
518 A A 0.0000
519 S A -0.3965
520 A A -0.1059
521 Y A 0.0048
522 G A -0.3568
523 G A -0.2181
524 L A 0.0000
525 A A -0.6776
526 T A -0.8860
527 M A 0.0000
528 G A 0.0000
529 K A -2.2194
530 A A 0.0000
531 L A 0.0000
532 S A -1.6757
533 S A -1.2202
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 0.0000
540 S A 0.0000
541 I A 0.0000
542 W A -0.1196
543 N A -0.6744
544 D A -1.1176
545 N A -1.5278
546 S A -1.2581
547 Q A -1.2105
548 Y A -0.0160
549 M A 0.0000
550 N A -0.3884
551 W A 0.1268
552 L A 0.0000
553 D A 0.0000
554 S A -0.3919
555 G A -1.0515
556 N A -1.8004
557 A A -1.1759
558 G A 0.0000
559 P A -0.7013
560 C A 0.0003
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Laboratory of Theory of Biopolymers 2018