Project name: d2864f1b87f4a1e

Status: done

Started: 2026-05-14 12:06:20
Settings
Chain sequence(s) A: KDKEINNTIDAIEDKNFKQVYKDSSYISKSDNGEVEMTERPIKIYNSLGVKDINIQDRKIKKVSKNKKRVDAQYKIKTNYGNIDRNVQFNFVKEDGMWKLDWDHSVIIPGMQKDQSIHIENLKSERGKILDRNNVELANTGTAYEIGIVPKNVSKKDYKAIAKELSISEDYIKQQMDQNWVQDDTFVPLKTVKKMDEYLSDFAKKFHLTTNETESRNYPLEKATSHLLGYVGPINSEELKQKEYKGYKDDAVIGKKGLEKLYDKKLQHEDGYRVTIVDDNSNTIAHTLIEKKKKDGKDIQLTIDAKVQKSIYNNMKNDYGSGTAIHPQTGELLALVSTPSYDVYPFMYGMSNEEYNKLTEDKKEPLLNKFQITTSPGSTQKILTAMIGLNNKTLDDKTSYKIDGKGWQKDKSWGGYNVTRYEVVNGNIDLKQAIESSDNIFFARVALELGSKKFEKGMKKLGVGEDIPSDYPFYNAQISNKNLDNEILLADSGYGQGEILINPVQILSIYSALENNGNINAPHLLKDTKNKVWKKNIISKENINLLTDGMQQVVNKTHKEDIYRSYANLIGKSGTAELKMKQGETGRQIGWFISYDKDNPNMMMAINVKDVQDKGMASYNAKISGKVYDELYENGNKKYDIDE
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                                          (00:13:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:13:48)
Show buried residues

Minimal score value
-4.8821
Maximal score value
1.8357
Average score
-1.2324
Total score value
-792.4622

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
26 K A -2.4544
27 D A -2.2945
28 K A -3.0610
29 E A -2.3677
30 I A 0.0000
31 N A -2.3505
32 N A -2.6047
33 T A 0.0000
34 I A 0.0000
35 D A -2.5685
36 A A 0.0000
37 I A 0.0000
38 E A -2.5261
39 D A -2.9091
40 K A -2.1474
41 N A -1.9534
42 F A -1.5481
43 K A -2.5685
44 Q A -2.5297
45 V A 0.0000
46 Y A -1.7168
47 K A -2.2439
48 D A -1.5125
49 S A 0.0000
50 S A 0.0000
51 Y A 1.3736
52 I A 1.8357
53 S A 0.0000
54 K A -0.7953
55 S A -0.5042
56 D A -1.7394
57 N A -1.6879
58 G A -1.4646
59 E A -1.9940
60 V A -0.1412
61 E A -1.4298
62 M A 0.0000
63 T A -1.2682
64 E A -1.2700
65 R A -1.4285
66 P A 0.0000
67 I A -0.6676
68 K A -1.9563
69 I A -0.9064
70 Y A -0.9281
71 N A -1.8817
72 S A -1.0940
73 L A 0.0000
74 G A -1.8115
75 V A -2.0846
76 K A -3.0074
77 D A -3.0046
78 I A 0.0000
79 N A -2.1270
80 I A 0.0000
81 Q A -2.8936
82 D A -3.2412
83 R A -2.8190
84 K A -2.5047
85 I A -0.7888
86 K A -1.1569
87 K A -1.8293
88 V A -0.0466
89 S A -1.3409
90 K A -2.5170
91 N A -2.2847
92 K A -1.8415
93 K A -1.6381
94 R A -1.4915
95 V A 0.0000
96 D A -2.2753
97 A A 0.0000
98 Q A -2.7616
99 Y A 0.0000
100 K A -2.9033
101 I A 0.0000
102 K A -3.4493
103 T A 0.0000
104 N A -2.2080
105 Y A -1.4169
106 G A -1.8183
107 N A -2.6525
108 I A 0.0000
109 D A -2.5854
110 R A -2.5515
111 N A -2.9334
112 V A 0.0000
113 Q A -2.0738
114 F A 0.0000
115 N A -1.0745
116 F A 0.0000
117 V A -1.2898
118 K A -2.1124
119 E A -1.8239
120 D A -2.2888
121 G A -1.5341
122 M A -0.7217
123 W A -0.8775
124 K A -1.0338
125 L A 0.0000
126 D A -0.4901
127 W A 0.0000
128 D A -1.7777
129 H A 0.0000
130 S A -0.9948
131 V A 0.0000
132 I A 0.0000
133 I A 0.0000
134 P A 0.0000
135 G A -1.1794
136 M A 0.0000
137 Q A -2.7259
138 K A -3.5432
139 D A -3.7331
140 Q A 0.0000
141 S A -1.3740
142 I A 0.0730
143 H A -0.2577
144 I A -0.5154
145 E A -1.6040
146 N A -2.7735
147 L A -3.1179
148 K A -3.5641
149 S A 0.0000
150 E A -4.0814
151 R A 0.0000
152 G A 0.0000
153 K A -1.9052
154 I A 0.0000
155 L A 0.0000
156 D A 0.0000
157 R A -1.5209
158 N A -1.9210
159 N A -1.5312
160 V A -0.5738
161 E A -1.1489
162 L A 0.0000
163 A A 0.0000
164 N A -1.2702
165 T A -1.2794
166 G A -1.0548
167 T A -1.5543
168 A A 0.0000
169 Y A -1.4914
170 E A -1.3829
171 I A 0.0000
172 G A 0.0000
173 I A 0.0000
174 V A 0.0000
175 P A -2.7819
176 K A -3.6399
177 N A -2.7581
178 V A -2.1741
179 S A -2.3946
180 K A -3.1833
181 K A -3.2590
182 D A -2.6027
183 Y A 0.0000
184 K A -3.4305
185 A A -2.1341
186 I A 0.0000
187 A A 0.0000
188 K A -2.8497
189 E A -2.4163
190 L A 0.0000
191 S A -1.6159
192 I A -0.9682
193 S A -1.4962
194 E A -2.4924
195 D A -2.6628
196 Y A -1.4885
197 I A 0.0000
198 K A -2.8229
199 Q A -2.8068
200 Q A -1.8996
201 M A -1.9220
202 D A -2.8688
203 Q A -2.1366
204 N A -1.5738
205 W A -0.2028
206 V A -1.4652
207 Q A -2.9300
208 D A -3.8493
209 D A -3.5687
210 T A -1.6715
211 F A -0.8355
212 V A 0.0000
213 P A -0.2524
214 L A 0.0000
215 K A -0.2184
216 T A -0.6118
217 V A -0.6345
218 K A -1.1880
219 K A -2.3016
220 M A -1.5894
221 D A -2.4603
222 E A -2.3899
223 Y A -0.3790
224 L A -1.4237
225 S A -2.1004
226 D A -2.7748
227 F A 0.0000
228 A A 0.0000
229 K A -3.2273
230 K A -2.9775
231 F A -1.9082
232 H A -2.6089
233 L A 0.0000
234 T A -0.7879
235 T A -1.0343
236 N A -1.6358
237 E A -2.7408
238 T A -2.0058
239 E A -2.5142
240 S A -1.4250
241 R A 0.0000
242 N A -0.8166
243 Y A 0.0000
244 P A -0.4814
245 L A -0.5340
246 E A -1.1672
247 K A -1.9481
248 A A 0.0000
249 T A 0.0000
250 S A 0.0000
251 H A 0.0000
252 L A 0.0000
253 L A 0.0000
254 G A 0.0000
255 Y A 0.0000
256 V A 0.0000
257 G A 0.0000
258 P A -0.8137
259 I A 0.0000
260 N A -2.0664
261 S A -2.1987
262 E A -2.8691
263 E A -3.0192
264 L A -3.2917
265 K A -3.7494
266 Q A -3.7922
267 K A -4.0083
268 E A -3.8658
269 Y A 0.0000
270 K A -3.6355
271 G A -2.1362
272 Y A -2.3487
273 K A -3.1070
274 D A -3.4381
275 D A -3.0832
276 A A -1.8312
277 V A -0.4675
278 I A 0.0000
279 G A 0.0000
280 K A -1.1166
281 K A -1.5762
282 G A -0.8734
283 L A 0.0000
284 E A 0.0000
285 K A -1.5986
286 L A -0.7007
287 Y A -0.8423
288 D A 0.0000
289 K A -2.7220
290 K A -2.3738
291 L A 0.0000
292 Q A -2.5731
293 H A -3.6481
294 E A -3.6762
295 D A -4.0945
296 G A 0.0000
297 Y A -2.6700
298 R A -2.3185
299 V A 0.0000
300 T A 0.0000
301 I A 0.0000
302 V A 0.0000
303 D A -2.7314
304 D A -3.4641
305 N A -3.0018
306 S A -1.8634
307 N A -2.1270
308 T A -0.8396
309 I A 0.4391
310 A A -0.0960
311 H A -0.2693
312 T A -0.4374
313 L A -0.8322
314 I A -1.5956
315 E A -3.3217
316 K A -4.0249
317 K A -4.3981
318 K A -4.8461
319 K A -4.8549
320 D A -4.8821
321 G A -3.7704
322 K A -3.6221
323 D A -2.2199
324 I A 0.0000
325 Q A -1.8234
326 L A 0.0000
327 T A 0.0000
328 I A 0.0000
329 D A 0.0000
330 A A 0.0000
331 K A -1.2746
332 V A 0.0000
333 Q A 0.0000
334 K A -1.8924
335 S A 0.0000
336 I A 0.0000
337 Y A 0.0000
338 N A -2.1920
339 N A -1.7736
340 M A 0.0000
341 K A -2.3804
342 N A -2.1311
343 D A -1.3561
344 Y A -1.2251
345 G A 0.0000
346 S A 0.0000
347 G A 0.0000
348 T A 0.0000
349 A A 0.0000
350 I A 0.0000
351 H A -0.3445
352 P A 0.0000
353 Q A -0.9200
354 T A -0.9049
355 G A 0.0000
356 E A 0.0000
357 L A 0.0000
358 L A 0.0000
359 A A 0.0000
360 L A 0.0000
361 V A 0.0000
362 S A 0.0000
363 T A 0.0000
364 P A 0.0000
365 S A -1.2486
366 Y A 0.0000
367 D A -1.7411
368 V A 0.0000
369 Y A 0.0000
370 P A -0.2904
371 F A 0.0902
372 M A 0.2472
373 Y A 0.1332
374 G A -0.1109
375 M A -0.6204
376 S A -2.1276
377 N A -2.8175
378 E A -3.5292
379 E A -3.0215
380 Y A -2.2132
381 N A -3.1587
382 K A -3.6089
383 L A -2.5591
384 T A -2.1880
385 E A -3.3940
386 D A -3.2801
387 K A -3.1004
388 K A -2.5859
389 E A -2.2723
390 P A 0.0000
391 L A -0.3492
392 L A 0.0178
393 N A -0.0306
394 K A 0.0000
395 F A 0.0000
396 Q A 0.2256
397 I A 0.6344
398 T A 0.2895
399 T A 0.2319
400 S A -0.4035
401 P A 0.0000
402 G A 0.0000
403 S A 0.0000
404 T A 0.0000
405 Q A 0.0000
406 K A 0.0000
407 I A 0.0000
408 L A 0.0000
409 T A 0.0000
410 A A 0.0000
411 M A 0.0000
412 I A 0.0000
413 G A 0.0000
414 L A 0.0000
415 N A -1.4888
416 N A -1.6287
417 K A -2.3123
418 T A -1.5825
419 L A 0.0000
420 D A -3.2397
421 D A -3.4473
422 K A -3.1961
423 T A -2.2824
424 S A -2.1128
425 Y A 0.0000
426 K A -2.9575
427 I A 0.0000
428 D A -3.0017
429 G A -1.8844
430 K A -2.1026
431 G A -1.6701
432 W A -1.7668
433 Q A -2.0820
434 K A -2.9821
435 D A -3.2312
436 K A -3.0126
437 S A -1.9170
438 W A 0.0000
439 G A -1.4147
440 G A -1.0228
441 Y A -0.4943
442 N A -1.3308
443 V A 0.0000
444 T A -0.6693
445 R A 0.0000
446 Y A 0.8796
447 E A -0.0492
448 V A 0.4030
449 V A -0.3368
450 N A -2.2889
451 G A -2.2364
452 N A -2.6388
453 I A 0.0000
454 D A -2.3327
455 L A 0.0000
456 K A -1.8691
457 Q A -0.9877
458 A A 0.0000
459 I A 0.0000
460 E A -1.2605
461 S A 0.0000
462 S A -0.2147
463 D A 0.0000
464 N A -0.3091
465 I A 0.0000
466 F A 0.0000
467 F A 0.0000
468 A A 0.0000
469 R A -0.9784
470 V A 0.0000
471 A A 0.0000
472 L A -1.0627
473 E A -1.4987
474 L A 0.0000
475 G A -1.6680
476 S A -2.3594
477 K A -3.0609
478 K A -2.7580
479 F A 0.0000
480 E A -2.5971
481 K A -3.4524
482 G A -2.4953
483 M A 0.0000
484 K A -3.0458
485 K A -2.8965
486 L A 0.0000
487 G A 0.0000
488 V A 0.0000
489 G A -1.8703
490 E A -2.4465
491 D A -2.3414
492 I A 0.0000
493 P A -0.7792
494 S A -0.6026
495 D A -0.6753
496 Y A 0.0000
497 P A -0.2396
498 F A 0.0000
499 Y A 0.2879
500 N A -1.2292
501 A A 0.0000
502 Q A -1.5675
503 I A -1.5459
504 S A 0.0000
505 N A -2.6975
506 K A -3.0797
507 N A -2.8266
508 L A 0.0000
509 D A -3.0326
510 N A -1.8033
511 E A -1.2061
512 I A -0.3465
513 L A -0.7204
514 L A 0.0000
515 A A 0.0000
516 D A 0.0000
517 S A 0.0000
518 G A 0.0000
519 Y A 0.0000
520 G A 0.0000
521 Q A -0.8114
522 G A -0.6024
523 E A -1.6014
524 I A 0.0000
525 L A -0.0120
526 I A 0.0000
527 N A 0.0000
528 P A 0.0000
529 V A 0.0000
530 Q A 0.0000
531 I A 0.0000
532 L A 0.0000
533 S A 0.0000
534 I A 0.0000
535 Y A 0.0000
536 S A 0.0000
537 A A 0.0000
538 L A 0.0000
539 E A -1.2665
540 N A -1.5072
541 N A -2.6772
542 G A 0.0000
543 N A -1.6189
544 I A 0.0000
545 N A 0.0000
546 A A 0.0000
547 P A 0.0000
548 H A 0.0000
549 L A 0.0000
550 L A 0.0000
551 K A -2.2859
552 D A -2.8746
553 T A -2.4390
554 K A -3.1049
555 N A -2.7067
556 K A -1.5633
557 V A -0.3633
558 W A -0.3178
559 K A -1.4222
560 K A -2.5728
561 N A -2.7889
562 I A 0.0000
563 I A 0.0000
564 S A -2.4490
565 K A -3.5481
566 E A -3.3183
567 N A -2.6594
568 I A 0.0000
569 N A -2.5757
570 L A -2.1957
571 L A 0.0000
572 T A 0.0000
573 D A -1.8021
574 G A 0.0000
575 M A 0.0000
576 Q A -1.4128
577 Q A -1.7798
578 V A 0.0000
579 V A 0.0000
580 N A -2.2022
581 K A -2.7586
582 T A -1.7971
583 H A 0.0000
584 K A -3.2276
585 E A -3.1029
586 D A -2.1919
587 I A 0.0000
588 Y A -1.2908
589 R A -0.9578
590 S A -0.3861
591 Y A -1.0101
592 A A -1.1150
593 N A -1.3208
594 L A 0.0000
595 I A 0.0000
596 G A 0.0000
597 K A 0.0000
598 S A 0.0000
599 G A 0.0000
600 T A -0.2981
601 A A 0.0000
602 E A -2.2340
603 L A -2.1872
604 K A -2.8606
605 M A -1.9996
606 K A -2.8771
607 Q A -3.0341
608 G A -2.7253
609 E A -3.1634
610 T A 0.0000
611 G A -2.6569
612 R A -2.7003
613 Q A -1.8034
614 I A 0.0000
615 G A 0.0000
616 W A 0.0000
617 F A 0.0000
618 I A 0.0000
619 S A 0.0000
620 Y A 0.0000
621 D A 0.0000
622 K A -2.0176
623 D A -2.5357
624 N A 0.0000
625 P A -1.1364
626 N A -1.1393
627 M A 0.0000
628 M A 0.0000
629 M A 0.0000
630 A A 0.0000
631 I A 0.0000
632 N A 0.0000
633 V A 0.0000
634 K A -1.0044
635 D A -1.7750
636 V A 0.0000
637 Q A -2.1477
638 D A -2.6399
639 K A -1.9590
640 G A -1.3802
641 M A -0.9219
642 A A -0.3371
643 S A -0.9421
644 Y A -0.7196
645 N A 0.0000
646 A A 0.0000
647 K A -1.7694
648 I A 0.0000
649 S A 0.0000
650 G A 0.0000
651 K A -2.7988
652 V A 0.0000
653 Y A 0.0000
654 D A -2.7665
655 E A -3.1196
656 L A 0.0000
657 Y A 0.0000
658 E A -4.0983
659 N A -3.5863
660 G A -2.8760
661 N A -3.1985
662 K A -3.6664
663 K A -3.4935
664 Y A 0.0000
665 D A -3.1112
666 I A -2.3164
667 D A -3.1802
668 E A -3.2640
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Laboratory of Theory of Biopolymers 2018