Project name: 5f3ce955a4aa062

Status: done

Started: 2026-05-01 11:19:42
Settings
Chain sequence(s) A: AITSNEIGTHDGYDYEFWKDSGGSGSMTLNSGGTFSAQWSNVNNILFRKGKKFDETQTHQQIGNMSINYGATYNPNGNSYLTVYGWTVDPLVEFYIVDSWGTWRPPGGTPKGTINVDGGTYQIYETTRYNQPSIKGTATFQQYWSVRTSKRTSGTISVSEHFRAWESLGMNMGNMYEVALTVEGYQSSGSANVYSNTLTIGGQSGGETPTPTPTPTPTPTPTQQPGTSTPEVHPKLTTYKCTKSGGCVAQDTSVVLDWNYRWMHDANYNSCTVNGGVNTTLCPDEATCGKNCFIEGVDYAASGVTTSGSSLTMNQYMPSSSGGYSSVSPRLYLLDSDGEYVMLKLNGQELSFDVDLSALPCGENGSLYLSQMDENGGANQYNTAGANYGSGYCDAQCPVQTWRNGTLNTSHQGFCCNEMDILEGNSRANALTPHSCTATACDSAGCGFNPYGSGYKSYYGPGDTVDTSKTFTIITQFNTDNGSPSGNLVSITRKYQQNGVDIPSAQPGGDTISSCPSASAYGGLATMGKALSSGMVLVFSIWNDNSQYMNWLDSGNAGPC
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                                          (00:03:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:10)
Show buried residues

Minimal score value
-2.8693
Maximal score value
2.0041
Average score
-0.5076
Total score value
-284.2643

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 0.0052
2 I A -0.2385
3 T A -0.6413
4 S A -0.9277
5 N A -1.4132
6 E A -0.5979
7 I A 1.2086
8 G A 0.5015
9 T A -0.4924
10 H A -1.5147
11 D A -2.3863
12 G A -1.5545
13 Y A -1.1229
14 D A -0.5865
15 Y A 0.0000
16 E A 0.0000
17 F A 0.0000
18 W A -0.3012
19 K A -1.1399
20 D A -1.3325
21 S A -1.0931
22 G A -1.6076
23 G A -1.7020
24 S A -1.1878
25 G A 0.0000
26 S A -0.4934
27 M A 0.0000
28 T A -0.4415
29 L A -0.6744
30 N A -1.4610
31 S A -1.1774
32 G A -1.1079
33 G A 0.0000
34 T A -0.4292
35 F A 0.0000
36 S A -0.5954
37 A A 0.0000
38 Q A -1.6136
39 W A 0.0000
40 S A -1.7147
41 N A -2.1759
42 V A 0.0000
43 N A -1.7735
44 N A -1.0296
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 -0.7307
52 K A -0.9971
53 F A -1.2927
54 D A -2.3642
55 E A -2.3858
56 T A -1.7385
57 Q A -1.7751
58 T A -1.4768
59 H A 0.0000
60 Q A -1.9948
61 Q A -1.9494
62 I A -0.8530
63 G A -1.2209
64 N A -1.0392
65 M A 0.0000
66 S A -0.0528
67 I A 0.0000
68 N A -0.3493
69 Y A 0.0000
70 G A 0.0000
71 A A 0.0000
72 T A -0.3620
73 Y A -0.8860
74 N A -1.8418
75 P A -1.4693
76 N A -1.9943
77 G A -1.1957
78 N A -0.4736
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 -2.1606
90 P A -1.4137
91 L A -0.8346
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 -0.3594
101 G A -0.5498
102 T A -0.1351
103 W A 0.4240
104 R A -0.2912
105 P A 0.0000
106 P A -0.3818
107 G A -0.5164
108 G A -0.8436
109 T A -0.7527
110 P A -0.9582
111 K A -1.2384
112 G A -0.6773
113 T A -0.5429
114 I A -0.4711
115 N A -1.0032
116 V A -0.4712
117 D A 0.0000
118 G A -0.5573
119 G A -0.6791
120 T A -0.5705
121 Y A 0.0000
122 Q A -0.6295
123 I A 0.0000
124 Y A 0.0000
125 E A -1.0083
126 T A -0.6782
127 T A -0.7166
128 R A -1.0977
129 Y A -0.1187
130 N A -1.3166
131 Q A -1.2902
132 P A -1.0898
133 S A -0.9479
134 I A -0.3026
135 K A -1.5892
136 G A -1.3201
137 T A -1.0379
138 A A -1.0310
139 T A -0.6120
140 F A 0.0000
141 Q A -0.7251
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 0.0000
148 T A -0.6087
149 S A -0.8956
150 K A -1.5619
151 R A -0.9735
152 T A -0.4791
153 S A -0.3123
154 G A -0.4016
155 T A -0.2782
156 I A 0.0000
157 S A -0.2658
158 V A 0.0000
159 S A 0.0000
160 E A -1.0260
161 H A 0.0000
162 F A 0.0000
163 R A -1.3025
164 A A 0.0000
165 W A 0.0000
166 E A -1.1818
167 S A -0.6561
168 L A -0.4894
169 G A -0.9412
170 M A 0.0000
171 N A -1.8082
172 M A 0.0000
173 G A 0.0000
174 N A -1.7632
175 M A 0.0000
176 Y A -0.7269
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 -0.5358
186 Q A -1.8104
187 S A 0.0000
188 S A -1.7597
189 G A -1.5802
190 S A -1.4399
191 A A 0.0000
192 N A -0.8231
193 V A 0.0000
194 Y A 0.7984
195 S A 0.1746
196 N A 0.0000
197 T A 0.0107
198 L A 0.1976
199 T A 0.1108
200 I A 0.4963
201 G A -0.8028
202 G A -1.1927
203 Q A -1.8007
204 S A -1.7240
205 G A -1.7166
206 G A -1.9540
207 E A -2.3663
208 T A -1.3318
209 P A -0.7691
210 T A -0.2704
211 P A -0.3689
212 T A -0.4046
213 P A -0.4355
214 T A -0.3487
215 P A -0.4342
216 T A -0.3942
217 P A -0.4451
218 T A -0.3786
219 P A -0.4709
220 T A -0.6364
221 P A -0.7132
222 T A -0.7547
223 Q A 0.0000
224 Q A -0.3884
225 P A -0.3194
226 G A -0.1112
227 T A -0.2597
228 S A -0.0705
229 T A -0.2341
230 P A -0.2010
231 E A 0.0805
232 V A 0.9929
233 H A -0.1113
234 P A -0.5927
235 K A -2.0860
236 L A 0.0000
237 T A -0.8614
238 T A -0.1349
239 Y A 1.1278
240 K A 0.0717
241 C A 0.2870
242 T A -0.7175
243 K A -1.7848
244 S A -1.1795
245 G A -0.7808
246 G A -0.1916
247 C A 1.2251
248 V A 2.0041
249 A A 0.7666
250 Q A -0.7212
251 D A -2.5203
252 T A 0.0000
253 S A -1.3675
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 -1.0162
260 Y A 0.1636
261 R A 0.0000
262 W A 0.7107
263 M A 0.0000
264 H A 0.0000
265 D A -0.5941
266 A A -0.5520
267 N A -1.0402
268 Y A 0.1404
269 N A -0.9380
270 S A 0.0442
271 C A 0.0000
272 T A 0.2069
273 V A 0.9441
274 N A -0.6832
275 G A -0.7640
276 G A -0.2407
277 V A 0.3025
278 N A -0.0464
279 T A -0.1129
280 T A -0.2377
281 L A -0.4741
282 C A 0.0000
283 P A -0.7165
284 D A -1.0909
285 E A -0.9475
286 A A -0.8489
287 T A -0.8195
288 C A 0.0000
289 G A 0.0000
290 K A -1.3433
291 N A -0.8836
292 C A 0.0000
293 F A 0.1330
294 I A 0.0000
295 E A 0.0000
296 G A 0.0000
297 V A -0.2686
298 D A -1.4826
299 Y A 0.0000
300 A A -0.5186
301 A A -0.4414
302 S A -0.2493
303 G A 0.0000
304 V A 0.0000
305 T A -0.3393
306 T A -0.6783
307 S A -0.8422
308 G A -1.0558
309 S A -0.8137
310 S A -0.8159
311 L A -0.1667
312 T A -0.3074
313 M A 0.0042
314 N A -0.3066
315 Q A 0.0000
316 Y A 0.9116
317 M A 0.6074
318 P A 0.1981
319 S A -0.1151
320 S A -0.4428
321 S A -0.5231
322 G A -0.6445
323 G A -0.1344
324 Y A 1.0034
325 S A 0.4754
326 S A 0.3821
327 V A 0.5543
328 S A 0.1690
329 P A 0.0000
330 R A -0.1573
331 L A 0.0000
332 Y A 0.0000
333 L A 0.0000
334 L A 0.0000
335 D A -2.2092
336 S A -2.2937
337 D A -2.5837
338 G A -1.7122
339 E A -1.6551
340 Y A 0.0000
341 V A 0.0000
342 M A -0.5578
343 L A -0.6580
344 K A -2.0973
345 L A 0.0000
346 N A 0.0000
347 G A -1.8750
348 Q A -1.6751
349 E A -1.5810
350 L A -0.4278
351 S A -0.4614
352 F A -0.5948
353 D A -2.0682
354 V A -1.7721
355 D A -2.5721
356 L A 0.0000
357 S A -1.3133
358 A A -0.6118
359 L A -0.3815
360 P A -0.1530
361 C A 0.1403
362 G A -0.0827
363 E A 0.0000
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 -0.6215
372 M A 0.0000
373 D A -1.2548
374 E A -1.1700
375 N A -1.3158
376 G A 0.0000
377 G A -0.8436
378 A A -0.6044
379 N A -0.5505
380 Q A -0.6934
381 Y A -0.5457
382 N A 0.0000
383 T A -0.3378
384 A A 0.0000
385 G A 0.0000
386 A A 0.0000
387 N A -0.8153
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 -0.9545
397 C A -0.1305
398 P A 0.3337
399 V A 0.9425
400 Q A -0.0236
401 T A -0.4235
402 W A 0.0000
403 R A -0.6470
404 N A -0.9439
405 G A 0.0000
406 T A -0.5716
407 L A 0.0000
408 N A 0.0000
409 T A -0.9521
410 S A -1.1325
411 H A -1.2436
412 Q A -1.1216
413 G A -0.1426
414 F A -0.0042
415 C A -0.0084
416 C A 0.0000
417 N A 0.0000
418 E A -0.4471
419 M A 0.0000
420 D A 0.0000
421 I A 0.0000
422 L A 0.0000
423 E A -0.2257
424 G A 0.0000
425 N A 0.0000
426 S A 0.0000
427 R A -0.9493
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 -0.0172
438 A A -0.3468
439 T A -0.1275
440 A A -0.0769
441 C A 0.0000
442 D A 0.0000
443 S A -0.5736
444 A A -0.3077
445 G A -0.2706
446 C A -0.3226
447 G A -0.5316
448 F A 0.0000
449 N A -0.6629
450 P A 0.0000
451 Y A -1.1882
452 G A -1.1304
453 S A -0.8996
454 G A -1.0890
455 Y A -0.7568
456 K A -1.9618
457 S A -1.2126
458 Y A 0.0000
459 Y A 0.0000
460 G A 0.0000
461 P A -1.2339
462 G A -1.2096
463 D A -1.2256
464 T A -0.5492
465 V A 0.0000
466 D A -1.4069
467 T A 0.0000
468 S A -1.6964
469 K A -2.5625
470 T A -2.3074
471 F A 0.0000
472 T A -1.3575
473 I A 0.0000
474 I A -0.6247
475 T A 0.0000
476 Q A -1.0884
477 F A 0.0000
478 N A -1.5436
479 T A 0.0000
480 D A -2.8693
481 N A -2.6836
482 G A -2.0037
483 S A -1.5648
484 P A -1.5596
485 S A -1.3564
486 G A -2.0999
487 N A -2.3852
488 L A 0.0000
489 V A -0.4145
490 S A -0.3119
491 I A 0.0000
492 T A -0.4473
493 R A 0.0000
494 K A -1.2361
495 Y A 0.0000
496 Q A -1.2645
497 Q A 0.0000
498 N A -1.4838
499 G A -0.6780
500 V A 0.2149
501 D A -1.4566
502 I A -0.7736
503 P A -0.7359
504 S A -0.8417
505 A A -0.6335
506 Q A -0.6786
507 P A -0.7240
508 G A -0.7637
509 G A -0.6982
510 D A 0.0000
511 T A -0.4547
512 I A 0.0000
513 S A -0.1598
514 S A -0.2566
515 C A 0.0000
516 P A -0.4250
517 S A -0.3502
518 A A 0.0000
519 S A -0.3412
520 A A -0.0810
521 Y A 0.0342
522 G A -0.2850
523 G A -0.1286
524 L A -0.2688
525 A A -0.6112
526 T A -0.8206
527 M A 0.0000
528 G A 0.0000
529 K A -2.1979
530 A A 0.0000
531 L A 0.0000
532 S A -1.6660
533 S A -1.1098
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 0.2027
540 S A 0.0000
541 I A 0.0000
542 W A 0.0009
543 N A -0.4768
544 D A -1.0122
545 N A -1.4525
546 S A -1.2831
547 Q A -1.3442
548 Y A -0.1255
549 M A 0.0000
550 N A -1.0147
551 W A -0.1807
552 L A 0.0000
553 D A 0.0000
554 S A -0.6768
555 G A -1.2005
556 N A -1.8642
557 A A -1.2463
558 G A 0.0000
559 P A -0.8631
560 C A -0.2020
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Laboratory of Theory of Biopolymers 2018