Project name: ec30969f7376248

Status: done

Started: 2026-04-30 19:58:25
Settings
Chain sequence(s) A: AITSNEIGTHDGYDYEFWKDSGGSGSMTLNSGGTFSAQWSNVNNILFRKGKKFDETQTHQQIGNMSINYGATYNPNGNSYLTVYGWTVDPLVEFYIVDSWGTWRPPGGTPKGTINVDGGTYQIYETTRYNQPSIKGTATFQQYWSVRTSKRTSGTISVSEHFRAWESLGMNMGNMYEVALTVEGYQSSGSANVYSNTLTIGGQSGGEGGGGSGGGGSGGGGSQQPGTSTPEVHPKLTTYKCTKSGGCVAQDTSVVLDWNYRWMHDANYNSCTVNGGVNTTLCPDEATCGKNCFIEGVDYAASGVTTSGSSLTMNQYMPSSSGGYSSVSPRLYLLDSDGEYVMLKLNGQELSFDVDLSALPCGENGSLYLSQMDENGGANQYNTAGANYGSGYCDAQCPVQTWRNGTLNTSHQGFCCNEMDILEGNSRANALTPHSCTATACDSAGCGFNPYGSGYKSYYGPGDTVDTSKTFTIITQFNTDNGSPSGNLVSITRKYQQNGVDIPSAQPGGDTISSCPSASAYGGLATMGKALSSGMVLVFSIWNDNSQYMNWLDSGNAGPC
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                                          (00:03:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:20)
Show buried residues

Minimal score value
-2.7939
Maximal score value
1.9267
Average score
-0.52
Total score value
-291.191

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 0.0172
2 I A -0.0309
3 T A -0.6394
4 S A -0.9360
5 N A -1.4341
6 E A -0.5930
7 I A 1.2302
8 G A 0.5046
9 T A -0.4959
10 H A -1.4904
11 D A -2.3578
12 G A -1.5566
13 Y A -1.1187
14 D A -0.5946
15 Y A 0.0000
16 E A 0.0000
17 F A 0.0000
18 W A -0.3520
19 K A -1.2839
20 D A -1.3887
21 S A -1.1332
22 G A -1.6318
23 G A -1.7126
24 S A -1.1941
25 G A 0.0000
26 S A -0.4718
27 M A 0.0000
28 T A -0.4185
29 L A -0.6277
30 N A -1.4041
31 S A -1.2422
32 G A -1.0958
33 G A 0.0000
34 T A -0.4184
35 F A 0.0000
36 S A -0.5906
37 A A 0.0000
38 Q A -1.6144
39 W A 0.0000
40 S A -1.7177
41 N A -2.1801
42 V A 0.0000
43 N A -1.8088
44 N A -1.0452
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 -0.7662
52 K A -0.9970
53 F A -1.3010
54 D A -2.3571
55 E A -2.3682
56 T A -1.7556
57 Q A -1.8308
58 T A -1.5206
59 H A 0.0000
60 Q A -2.1340
61 Q A -1.9502
62 I A -0.8726
63 G A -1.1504
64 N A -0.8385
65 M A 0.0000
66 S A -0.0602
67 I A 0.0000
68 N A -0.6195
69 Y A 0.0000
70 G A 0.0000
71 A A 0.0000
72 T A -0.3565
73 Y A -0.8937
74 N A -1.8573
75 P A -1.5036
76 N A -1.9957
77 G A -1.1997
78 N A -0.4842
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 -2.1661
90 P A -1.4303
91 L A -0.8510
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 -0.6150
102 T A -0.1539
103 W A 0.4011
104 R A -0.4388
105 P A 0.0000
106 P A -0.4355
107 G A -0.5588
108 G A -0.9329
109 T A -0.9046
110 P A -1.2524
111 K A -1.7926
112 G A -0.9194
113 T A -0.7008
114 I A -0.5613
115 N A -1.4583
116 V A 0.0000
117 D A 0.0000
118 G A -1.1659
119 G A -1.0552
120 T A -0.7941
121 Y A 0.0000
122 Q A -0.8130
123 I A 0.0000
124 Y A 0.0000
125 E A -1.2931
126 T A -0.7717
127 T A -0.7764
128 R A -1.1320
129 Y A -0.1373
130 N A -1.3327
131 Q A -1.3192
132 P A -1.1070
133 S A -0.9683
134 I A -0.3149
135 K A -1.6048
136 G A -1.3439
137 T A -1.0552
138 A A -1.0502
139 T A -0.6227
140 F A 0.0000
141 Q A -0.7911
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 -0.9424
148 T A -0.7399
149 S A -1.0558
150 K A -1.8208
151 R A -1.1377
152 T A -0.5380
153 S A -0.5595
154 G A -0.7373
155 T A -0.5758
156 I A 0.0000
157 S A 0.0000
158 V A 0.0000
159 S A 0.0000
160 E A 0.0000
161 H A 0.0000
162 F A 0.0000
163 R A -1.1574
164 A A -0.5815
165 W A 0.0000
166 E A -1.2770
167 S A -0.7458
168 L A -0.7202
169 G A -1.0849
170 M A 0.0000
171 N A -1.8603
172 M A 0.0000
173 G A 0.0000
174 N A -1.7863
175 M A 0.0000
176 Y A -0.7442
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 -0.4746
186 Q A -1.8042
187 S A 0.0000
188 S A -1.7705
189 G A -1.5941
190 S A -1.4568
191 A A 0.0000
192 N A -0.8130
193 V A 0.0000
194 Y A 0.7206
195 S A 0.1373
196 N A 0.0000
197 T A -0.1230
198 L A 0.0614
199 T A 0.0624
200 I A 0.3976
201 G A -0.4424
202 G A -0.6901
203 Q A -1.6550
204 S A -1.2585
205 G A -1.0729
206 G A -0.8856
207 E A 0.0000
208 G A -1.4032
209 G A -1.3397
210 G A -1.1631
211 G A -1.0421
212 S A -0.9176
213 G A -1.0148
214 G A -1.0723
215 G A -1.0743
216 G A -1.1290
217 S A -0.9188
218 G A -1.1855
219 G A -1.1351
220 G A -1.4896
221 G A -1.5966
222 S A 0.0000
223 Q A 0.0000
224 Q A -0.5303
225 P A -0.2386
226 G A -0.0518
227 T A -0.2111
228 S A 0.0314
229 T A -0.3658
230 P A -0.4045
231 E A -0.4132
232 V A -0.5013
233 H A -0.7381
234 P A -0.7352
235 K A -1.3644
236 L A 0.0000
237 T A -0.2340
238 T A 0.2333
239 Y A 1.2676
240 K A -0.0054
241 C A 0.2809
242 T A -0.6915
243 K A -1.7949
244 S A -1.1914
245 G A -0.8179
246 G A -0.2354
247 C A 1.1795
248 V A 1.9267
249 A A 1.0604
250 Q A -0.0686
251 D A -0.7627
252 T A 0.0000
253 S A -0.7276
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 -0.9987
260 Y A 0.1879
261 R A 0.0000
262 W A 0.7401
263 M A 0.0000
264 H A 0.0000
265 D A 0.0000
266 A A -0.4894
267 N A -0.9546
268 Y A 0.2427
269 N A -0.8019
270 S A 0.1493
271 C A 0.0000
272 T A 0.2325
273 V A 0.9504
274 N A -0.6776
275 G A -0.7534
276 G A -0.2301
277 V A 0.3174
278 N A -0.0186
279 T A -0.0961
280 T A -0.2259
281 L A -0.4813
282 C A 0.0000
283 P A -0.7175
284 D A -1.1067
285 E A -1.1313
286 A A -1.1081
287 T A -1.0840
288 C A 0.0000
289 G A 0.0000
290 K A -2.0474
291 N A -1.0957
292 C A 0.0000
293 F A 0.1475
294 I A 0.0000
295 E A 0.0000
296 G A 0.0000
297 V A -0.4644
298 D A -1.6556
299 Y A 0.0000
300 A A -0.4929
301 A A -0.4054
302 S A -0.2220
303 G A 0.0000
304 V A 0.0000
305 T A -0.2184
306 T A -0.4717
307 S A -0.6927
308 G A -0.8711
309 S A -0.4908
310 S A -0.7154
311 L A -0.0727
312 T A -0.2732
313 M A 0.0565
314 N A -0.1938
315 Q A 0.1041
316 Y A 1.0230
317 M A 0.6900
318 P A 0.2409
319 S A -0.0924
320 S A -0.4406
321 S A -0.5227
322 G A -0.6443
323 G A -0.1170
324 Y A 1.0274
325 S A 0.4984
326 S A 0.3560
327 V A 0.5727
328 S A 0.0756
329 P A 0.0000
330 R A -0.1687
331 L A 0.0000
332 Y A 0.0000
333 L A 0.0000
334 L A 0.0000
335 D A -1.3799
336 S A -1.2011
337 D A -1.3505
338 G A -1.2021
339 E A -1.6404
340 Y A 0.0000
341 V A 0.0000
342 M A -0.7392
343 L A -0.5714
344 K A -2.1001
345 L A 0.0000
346 N A 0.0000
347 G A -1.8889
348 Q A -1.8348
349 E A -1.6623
350 L A -0.4647
351 S A -0.4795
352 F A -0.6073
353 D A -2.0511
354 V A -1.7144
355 D A -2.4962
356 L A 0.0000
357 S A -1.2024
358 A A -0.6302
359 L A 0.0000
360 P A -0.0937
361 C A 0.1711
362 G A -0.2044
363 E A -0.3967
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 -0.7161
372 M A 0.0000
373 D A -1.7087
374 E A -2.0031
375 N A -1.7266
376 G A 0.0000
377 G A -1.1068
378 A A -0.9807
379 N A -1.1590
380 Q A -1.7715
381 Y A -0.9060
382 N A 0.0000
383 T A -0.6068
384 A A 0.0000
385 G A 0.0000
386 A A 0.0000
387 N A -0.6461
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 -0.5598
395 A A 0.0000
396 Q A -0.9978
397 C A -0.2270
398 P A 0.2059
399 V A 0.8309
400 Q A -0.1471
401 T A -0.5174
402 W A 0.0000
403 R A -0.9280
404 N A -1.0932
405 G A 0.0000
406 T A -0.7448
407 L A 0.0000
408 N A 0.0000
409 T A -1.0281
410 S A -0.9946
411 H A -1.3580
412 Q A -1.3399
413 G A -0.3301
414 F A -0.1821
415 C A -0.0747
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 -0.2487
424 G A 0.0000
425 N A 0.0000
426 S A 0.0000
427 R A -0.6628
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 0.0370
438 A A 0.1012
439 T A 0.0472
440 A A -0.0812
441 C A 0.0000
442 D A 0.0000
443 S A -0.5769
444 A A -0.3083
445 G A -0.2483
446 C A -0.3257
447 G A -0.5266
448 F A 0.0000
449 N A -0.6330
450 P A 0.0000
451 Y A -1.0949
452 G A -1.0358
453 S A -0.8155
454 G A -0.9642
455 Y A -0.6939
456 K A -1.9418
457 S A -1.2252
458 Y A 0.0000
459 Y A 0.0000
460 G A 0.0000
461 P A -1.1172
462 G A -1.1773
463 D A -1.3013
464 T A -0.5643
465 V A 0.0000
466 D A -1.2163
467 T A 0.0000
468 S A -1.5369
469 K A -2.1745
470 T A -2.1127
471 F A 0.0000
472 T A -1.3771
473 I A 0.0000
474 I A -0.6652
475 T A 0.0000
476 Q A -1.1345
477 F A 0.0000
478 N A -1.5522
479 T A 0.0000
480 D A -2.7939
481 N A -2.6477
482 G A -1.9844
483 S A -1.5611
484 P A -1.5494
485 S A -1.3167
486 G A -2.0035
487 N A -2.2000
488 L A 0.0000
489 V A -0.2569
490 S A -0.2442
491 I A 0.0000
492 T A -0.4629
493 R A 0.0000
494 K A -1.3125
495 Y A 0.0000
496 Q A -1.2862
497 Q A 0.0000
498 N A -1.4424
499 G A -0.6757
500 V A 0.2151
501 D A -1.4745
502 I A -0.7951
503 P A -0.7504
504 S A -0.8491
505 A A -0.5968
506 Q A -0.6372
507 P A -0.7109
508 G A -0.7575
509 G A -0.7046
510 D A 0.0000
511 T A -0.4643
512 I A 0.0000
513 S A -0.1329
514 S A -0.2377
515 C A 0.0000
516 P A -0.4321
517 S A -0.3671
518 A A 0.0000
519 S A -0.3406
520 A A -0.0776
521 Y A 0.0449
522 G A -0.2714
523 G A -0.1112
524 L A -0.2061
525 A A -0.5376
526 T A -0.7916
527 M A 0.0000
528 G A 0.0000
529 K A -2.1634
530 A A 0.0000
531 L A 0.0000
532 S A -1.5611
533 S A -1.0878
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 0.1739
540 S A 0.0000
541 I A 0.0000
542 W A -0.2910
543 N A -1.0031
544 D A -1.2214
545 N A -1.5573
546 S A -1.3185
547 Q A -1.3333
548 Y A -0.1808
549 M A 0.0000
550 N A -0.8550
551 W A -0.0056
552 L A 0.0000
553 D A 0.0000
554 S A -0.5555
555 G A -1.1537
556 N A -1.8084
557 A A -1.1371
558 G A 0.0000
559 P A -0.8097
560 C A -0.1117
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Laboratory of Theory of Biopolymers 2018