Project name: 11a

Status: done

Started: 2026-04-24 02:24:39
Settings
Chain sequence(s) A: HHHHHHHHHHGSSENLYFQSNMSVSFSLNAKKIRLENYAMKMRLYPSPTQAEQMDKMFLALRLAYNMTFHEVFQQNPAVCGDPDEDGNVWPSYKKMTNKTWRKALIDQNPAIAEAPAAALTTNNGLFLSCGQQAWKYGMHNLPANKADRKDFRFYSLRKPRRSFAVQIRPRCIIPSDTNQKVARIKLPKIDGAIKARGFNRKIWFGPDGKHTYEEALAAHELSNNLTVRVSKDTCGDYFICITFSQGKVKGDKPTWEFYQEVRVSPIPEPIGLDVGIKDIAILNTGTKYENKQFKRDRAATLKKMSRQLSRRWGPANSAFRDYNKNIRAENRALERAQQDPGSSGVGPEAPVLKSVAQPSRRYLTIQKNRAKLERKIARRRDTYYHQVTREVAGKSSLLAVETLRVKNMLQNHRLAFALSDAAMSDFISKLKYKARRIQVPLVAIGTFQPSSQTCSVCGSINPAVKNLSIRVWTCPNCGTRHNRDINAAKNILAIAQNMLEKKVPFADEALPDVKPPAAPVKKAARKPRDAVFPDHPDLVIRFSKELTQLNDPRYVIVNKATNQIVDNAQGAGYRSAAKAKNCYKAKLAWSSKTNK
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:23:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:23:29)
Show buried residues

Minimal score value
-3.6262
Maximal score value
2.2356
Average score
-1.1153
Total score value
-664.6993

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 H A -1.6981
2 H A -2.2073
3 H A -2.5222
4 H A -2.4448
5 H A -2.5369
6 H A -2.5564
7 H A -2.5166
8 H A -2.5719
9 H A -2.3250
10 H A -2.0991
11 G A -1.6413
12 S A -1.1841
13 S A -1.4775
14 E A -2.1045
15 N A -0.8892
16 L A 1.4426
17 Y A 2.1430
18 F A 1.9988
19 Q A -0.0101
20 S A -0.3609
21 N A -0.7898
22 M A 0.5044
23 S A 0.7784
24 V A 1.9046
25 S A 1.4922
26 F A 2.2356
27 S A 0.4724
28 L A -0.4775
29 N A -1.6849
30 A A -1.8413
31 K A -2.3200
32 K A -2.4412
33 I A -1.9132
34 R A -2.5277
35 L A 0.0000
36 E A -2.8891
37 N A -2.4913
38 Y A 0.0000
39 A A -0.7663
40 M A 0.0000
41 K A -2.0837
42 M A 0.0000
43 R A -1.4853
44 L A 0.0000
45 Y A -0.5960
46 P A -0.7950
47 S A -0.8513
48 P A -0.8495
49 T A -1.4158
50 Q A -1.8886
51 A A -1.6842
52 E A -2.8068
53 Q A -2.5713
54 M A 0.0000
55 D A -2.7501
56 K A -2.1085
57 M A 0.0000
58 F A 0.0000
59 L A -0.6131
60 A A 0.0000
61 L A 0.0000
62 R A -0.6348
63 L A 0.0428
64 A A 0.0000
65 Y A 0.0000
66 N A -0.3363
67 M A -0.3215
68 T A 0.0000
69 F A 0.0000
70 H A -1.2677
71 E A -1.3360
72 V A 0.0000
73 F A -1.3643
74 Q A -2.1120
75 Q A -2.1278
76 N A -1.4645
77 P A -1.2387
78 A A -0.6228
79 V A 0.0000
80 C A 0.0000
81 G A -1.4550
82 D A -2.4537
83 P A -2.4829
84 D A -2.9363
85 E A -3.5142
86 D A -3.3121
87 G A -2.5942
88 N A -2.0460
89 V A -1.2141
90 W A -0.0074
91 P A 0.0000
92 S A -0.7929
93 Y A -0.8638
94 K A -1.9460
95 K A -1.7644
96 M A 0.0000
97 T A -1.4720
98 N A -2.1852
99 K A -2.6255
100 T A -1.8073
101 W A 0.0000
102 R A -2.2229
103 K A -3.0673
104 A A -2.1248
105 L A 0.0000
106 I A -1.9849
107 D A -2.9447
108 Q A -2.4560
109 N A -1.7104
110 P A -1.4119
111 A A -0.7434
112 I A 0.0000
113 A A -0.9642
114 E A -1.3058
115 A A 0.0000
116 P A 0.0000
117 A A -0.4350
118 A A -0.4060
119 A A 0.0000
120 L A 0.0000
121 T A -1.0557
122 T A -0.9656
123 N A -1.6712
124 N A -1.7541
125 G A 0.0000
126 L A 0.0000
127 F A 0.0000
128 L A -0.9685
129 S A -1.0119
130 C A -0.7023
131 G A 0.0000
132 Q A -1.5350
133 Q A -1.9155
134 A A -1.3271
135 W A -1.5490
136 K A -2.3574
137 Y A -1.3529
138 G A -1.3258
139 M A 0.0000
140 H A -1.3041
141 N A -1.7722
142 L A -1.7861
143 P A -1.9840
144 A A -1.9201
145 N A -2.7810
146 K A -3.1452
147 A A -2.3666
148 D A -3.3622
149 R A -2.8856
150 K A -2.6324
151 D A -1.5358
152 F A 0.0941
153 R A -0.3378
154 F A 0.0000
155 Y A -0.3029
156 S A -0.2302
157 L A 0.2350
158 R A -1.5305
159 K A -1.5960
160 P A -0.9423
161 R A -1.0991
162 R A -1.3367
163 S A -0.8870
164 F A 0.0000
165 A A 0.0000
166 V A 0.0000
167 Q A -1.6702
168 I A 0.0000
169 R A -3.5294
170 P A 0.0000
171 R A -2.7548
172 C A -2.0335
173 I A 0.0000
174 I A -1.1215
175 P A -1.8141
176 S A -2.0969
177 D A -2.3822
178 T A -1.7376
179 N A -2.4241
180 Q A -2.9200
181 K A -2.7867
182 V A -2.4519
183 A A 0.0000
184 R A -2.3394
185 I A 0.0000
186 K A -2.9756
187 L A 0.0000
188 P A -1.6036
189 K A -2.5830
190 I A 0.0000
191 D A -2.7697
192 G A -2.2510
193 A A -1.9002
194 I A 0.0000
195 K A -1.8443
196 A A 0.0000
197 R A -2.6082
198 G A -1.9603
199 F A 0.0000
200 N A -2.0233
201 R A -2.1669
202 K A -2.2895
203 I A 0.0000
204 W A -1.6268
205 F A 0.0000
206 G A 0.0000
207 P A -1.8630
208 D A -2.7326
209 G A 0.0000
210 K A -2.5729
211 H A -1.7432
212 T A -1.3891
213 Y A 0.0000
214 E A -1.5211
215 E A -1.9120
216 A A 0.0000
217 L A -1.2404
218 A A -0.9727
219 A A -0.8697
220 H A -1.4354
221 E A -1.0734
222 L A 0.0000
223 S A -1.6486
224 N A -2.8690
225 N A -2.9441
226 L A 0.0000
227 T A -1.1248
228 V A 0.0000
229 R A -1.2272
230 V A 0.0000
231 S A -0.9106
232 K A -1.0517
233 D A -0.8369
234 T A -1.0640
235 C A 0.0000
236 G A -0.8850
237 D A -0.6706
238 Y A 0.0000
239 F A -0.9090
240 I A 0.0000
241 C A -1.0019
242 I A 0.0000
243 T A -0.8121
244 F A 0.0000
245 S A -1.5472
246 Q A -1.6943
247 G A -1.5570
248 K A -1.7883
249 V A -1.0492
250 K A -2.5409
251 G A -2.3725
252 D A -2.8375
253 K A -2.8736
254 P A 0.0000
255 T A -1.1374
256 W A -0.7407
257 E A 0.0000
258 F A 0.0000
259 Y A 0.0000
260 Q A -1.6436
261 E A -2.1078
262 V A 0.0000
263 R A -2.3541
264 V A -1.0520
265 S A 0.0000
266 P A 0.4837
267 I A 1.8346
268 P A 0.2450
269 E A -0.9680
270 P A -0.9353
271 I A 0.0000
272 G A 0.0000
273 L A 0.0000
274 D A -0.6328
275 V A 0.0000
276 G A -0.7761
277 I A -0.8797
278 K A -2.4120
279 D A 0.0000
280 I A 0.0000
281 A A 0.0000
282 I A 0.0000
283 L A 0.0000
284 N A -0.6792
285 T A -0.5756
286 G A -0.5857
287 T A -0.7684
288 K A -1.7640
289 Y A 0.0000
290 E A -3.0133
291 N A 0.0000
292 K A -3.3031
293 Q A -2.7156
294 F A 0.0000
295 K A -2.9270
296 R A -3.4170
297 D A -3.5868
298 R A -2.9521
299 A A -2.4122
300 A A -1.8874
301 T A -2.0815
302 L A 0.0000
303 K A -3.0021
304 K A -3.0784
305 M A -2.3003
306 S A -2.4520
307 R A -3.6200
308 Q A -3.0240
309 L A 0.0000
310 S A -2.0825
311 R A -3.0056
312 R A -2.7612
313 W A -1.9894
314 G A 0.0000
315 P A -1.1071
316 A A -1.2429
317 N A -1.7376
318 S A -1.2996
319 A A 0.0000
320 F A 0.0000
321 R A -2.4387
322 D A -2.2771
323 Y A -1.6162
324 N A 0.0000
325 K A -2.6085
326 N A -1.9691
327 I A -1.5314
328 R A -2.1114
329 A A -1.6384
330 E A -1.5625
331 N A 0.0000
332 R A -2.6178
333 A A -1.8422
334 L A -0.9701
335 E A -2.3141
336 R A -3.6262
337 A A -2.4496
338 Q A -2.9393
339 Q A -3.4433
340 D A -3.5511
341 P A -1.9032
342 G A -1.6143
343 S A -1.1507
344 S A -0.5134
345 G A 0.0466
346 V A 0.6648
347 G A -0.5368
348 P A -0.9947
349 E A -1.5094
350 A A -0.3682
351 P A 0.4660
352 V A 1.6776
353 L A 0.9637
354 K A -0.5496
355 S A -0.2920
356 V A -0.1925
357 A A 0.0000
358 Q A -1.4198
359 P A -1.3522
360 S A -1.9490
361 R A -2.7606
362 R A -2.9212
363 Y A 0.0000
364 L A -1.2017
365 T A -1.5751
366 I A -1.6070
367 Q A -1.8644
368 K A -2.5508
369 N A -1.8644
370 R A -2.1812
371 A A -2.0900
372 K A -2.4361
373 L A -2.1350
374 E A -2.3484
375 R A -2.2979
376 K A -2.8998
377 I A 0.0000
378 A A -2.1944
379 R A -2.8568
380 R A -3.1303
381 R A -2.7210
382 D A -2.6607
383 T A -1.8277
384 Y A -1.6978
385 Y A 0.0000
386 H A -1.7198
387 Q A -1.8926
388 V A 0.0000
389 T A 0.0000
390 R A -1.7599
391 E A -1.4650
392 V A 0.0000
393 A A 0.0000
394 G A 0.0000
395 K A -0.6802
396 S A 0.0000
397 S A -0.5494
398 L A 0.0000
399 L A 0.0000
400 A A 0.0000
401 V A 0.0000
402 E A -0.3777
403 T A -0.3359
404 L A -0.9781
405 R A -2.4283
406 V A -1.7617
407 K A -2.8736
408 N A -2.8183
409 M A -1.6909
410 L A -1.7182
411 Q A -2.5929
412 N A -2.6337
413 H A -2.2658
414 R A -2.3166
415 L A -0.7200
416 A A -0.7021
417 F A 0.1149
418 A A -0.2968
419 L A 0.0000
420 S A 0.3159
421 D A 0.0000
422 A A 0.0000
423 A A -0.6662
424 M A 0.0000
425 S A -1.2789
426 D A -1.9364
427 F A 0.0000
428 I A -0.5100
429 S A -0.7399
430 K A 0.0000
431 L A 0.0000
432 K A -0.7084
433 Y A -0.2778
434 K A 0.0000
435 A A 0.0000
436 R A -1.5039
437 R A -1.5902
438 I A -1.2323
439 Q A -1.4604
440 V A -0.9108
441 P A -0.6603
442 L A 0.0000
443 V A 0.0000
444 A A -0.1697
445 I A 0.0000
446 G A 0.1444
447 T A 0.2497
448 F A 1.4906
449 Q A 0.2416
450 P A 0.1466
451 S A 0.0000
452 S A -0.6156
453 Q A 0.0000
454 T A 0.6592
455 C A 0.0000
456 S A 0.7882
457 V A 1.5784
458 C A 1.0617
459 G A 0.5308
460 S A 0.7386
461 I A 1.5698
462 N A 0.1446
463 P A -0.4843
464 A A -0.4594
465 V A 0.0000
466 K A -1.8784
467 N A -1.3934
468 L A 0.2029
469 S A -0.1758
470 I A -0.3888
471 R A -1.2715
472 V A -0.4716
473 W A 0.0000
474 T A -1.1197
475 C A 0.0000
476 P A -0.9288
477 N A -0.9472
478 C A -0.4613
479 G A -0.9818
480 T A -0.9079
481 R A -1.9337
482 H A 0.0000
483 N A -1.1299
484 R A -0.8623
485 D A -1.0263
486 I A -0.7174
487 N A 0.0000
488 A A 0.0000
489 A A 0.0000
490 K A -0.6382
491 N A 0.0000
492 I A 0.0000
493 L A -0.3635
494 A A -0.3383
495 I A -0.0545
496 A A 0.0000
497 Q A -1.4368
498 N A -2.0136
499 M A -1.2991
500 L A -1.5984
501 E A -3.2135
502 K A -3.2052
503 K A -2.4330
504 V A -0.4587
505 P A -0.4044
506 F A -0.0984
507 A A -0.5502
508 D A -1.8773
509 E A -2.1678
510 A A -0.6636
511 L A -0.0733
512 P A -1.1437
513 D A -2.0455
514 V A -1.0518
515 K A -1.8492
516 P A -1.0682
517 P A -0.8489
518 A A -0.0821
519 A A 0.0885
520 P A -0.1396
521 V A 0.3655
522 K A -1.7082
523 K A -2.3077
524 A A -1.6861
525 A A -2.0236
526 R A -3.2679
527 K A -3.2537
528 P A -2.4579
529 R A -3.0083
530 D A -1.8037
531 A A -0.6631
532 V A -0.2707
533 F A 0.0000
534 P A -0.8196
535 D A -1.6042
536 H A -1.2760
537 P A -1.2308
538 D A -1.8717
539 L A -1.0642
540 V A 0.0000
541 I A 0.0000
542 R A -1.2034
543 F A -1.1758
544 S A -1.3602
545 K A -2.7342
546 E A -2.7336
547 L A -1.5788
548 T A -1.7688
549 Q A -1.3631
550 L A 0.3629
551 N A -0.9526
552 D A -1.1684
553 P A 0.0000
554 R A -1.9321
555 Y A 0.0000
556 V A 0.0000
557 I A 0.0000
558 V A 0.0000
559 N A -1.5693
560 K A -2.5592
561 A A -1.6166
562 T A -1.4983
563 N A -2.0768
564 Q A -1.1208
565 I A 0.7909
566 V A 1.2319
567 D A 0.0000
568 N A -0.3669
569 A A -0.9762
570 Q A -1.5120
571 G A -1.2116
572 A A -0.8321
573 G A -1.3309
574 Y A 0.0000
575 R A -2.3398
576 S A -1.9175
577 A A -1.3612
578 A A -1.4306
579 K A -2.5362
580 A A 0.0000
581 K A -1.8480
582 N A -2.5450
583 C A -1.6507
584 Y A 0.0000
585 K A -2.0724
586 A A -1.0710
587 K A -1.1608
588 L A -0.4319
589 A A -0.3523
590 W A -0.1213
591 S A -0.9033
592 S A -1.4707
593 K A -2.2811
594 T A -1.8367
595 N A -2.5782
596 K A -2.8941
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Laboratory of Theory of Biopolymers 2018