Project name: 9f5ac7c7298e0a2

Status: done

Started: 2026-07-08 17:08:56
Settings
Chain sequence(s) A: DKEINNTIDAIEDKNFKQVYKDSSYISKSDNGEVEMTERPIKIYNSLGVKDINIQDRKIKKVSKNKKRVDAQYKIKTNYGNIDRNVQFNFVKEDGMWKLDWDHSVIIPGMQKDQSSIHIENLKSERGKILDRNNVELANTGTAYEIGIVPKNVSKKDYKAIAKELSISEDYIKQQMDQNWVQDDTFVPLKTVKKMDEYLSDFAKKFHLTTNETESRNYPLGKATSHLLGYVGPINSEELKQKEYKGYKDDAVIGKKGLEKLYDKKLQHEDGYRVTIVDDNSNTIAHTLIEKKKKDGKDIQLTIDAKVQKSIYNNMKNDYGSGTAIHPQTGELLALVSTPSYDVYPFMYGMSNEEYNKLTEDKKEPLLNKFQITTSPGSTQKILTAMIGLNNKTLDDKTSYKIDGKGWQKDKSWGGYNVTRYEVVNGNIDLKQAIESSDNIFFARVALELGSKKFEKGMKKLGVGEDIPSDYPFYNAQISNKNLDNEILLADSGYGQGEILINPVQILSIYSALENNGNINAPHLLKDTKNKVWKKNIISKENINLLTDGMQQVVNKTHKEDIYRSYANLIGKSGTAELKETGRQIGWFISYDKDNPNMMMAINVKDVQDKGMASYNAKISGKVYDELYENGNKKYDIDE
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                                          (00:13:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:13:56)
Show buried residues

Minimal score value
-5.4733
Maximal score value
1.5835
Average score
-1.2434
Total score value
-793.3031

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
27 D A -3.2044
28 K A -3.5297
29 E A -3.0953
30 I A 0.0000
31 N A -2.5918
32 N A -3.0899
33 T A 0.0000
34 I A 0.0000
35 D A -2.7774
36 A A -2.4124
37 I A 0.0000
38 E A -2.6365
39 D A -3.1480
40 K A -2.3826
41 N A -1.9895
42 F A -1.7327
43 K A -2.6684
44 Q A -2.3619
45 V A 0.0000
46 Y A -1.7387
47 K A -2.4586
48 D A -1.5959
49 S A 0.0000
50 S A 0.0000
51 Y A 1.1019
52 I A 1.5835
53 S A 0.0000
54 K A -1.3675
55 S A -0.8926
56 D A -1.8836
57 N A -1.6464
58 G A -1.4135
59 E A -2.2392
60 V A -0.0359
61 E A -0.7154
62 M A 0.0000
63 T A -1.1596
64 E A -1.2120
65 R A -0.9003
66 P A 0.0000
67 I A 0.0201
68 K A -1.6485
69 I A -0.7769
70 Y A 0.0000
71 N A -1.7682
72 S A -0.9665
73 L A 0.0000
74 G A -1.5026
75 V A -1.9310
76 K A -3.1340
77 D A -3.2321
78 I A 0.0000
79 N A -2.3108
80 I A 0.0000
81 Q A -2.2149
82 D A -2.8606
83 R A -2.4926
84 K A -2.8307
85 I A -2.2497
86 K A -2.6616
87 K A -2.4816
88 V A -0.6510
89 S A -1.4495
90 K A -2.3786
91 N A -2.1201
92 K A -2.2609
93 K A -2.3713
94 R A -2.2798
95 V A 0.0000
96 D A -2.4250
97 A A 0.0000
98 Q A -2.6334
99 Y A 0.0000
100 K A -2.4653
101 I A 0.0000
102 K A -2.9086
103 T A -2.1709
104 N A -1.9687
105 Y A -1.1949
106 G A -1.6032
107 N A -2.2260
108 I A 0.0000
109 D A -2.7431
110 R A -2.1065
111 N A -2.5541
112 V A 0.0000
113 Q A -2.1587
114 F A 0.0000
115 N A -1.4847
116 F A 0.0000
117 V A -1.2996
118 K A -1.9462
119 E A -1.4037
120 D A -2.2034
121 G A -1.4647
122 M A -0.8767
123 W A -1.3918
124 K A 0.0000
125 L A 0.0000
126 D A -0.5050
127 W A 0.0000
128 D A -1.6115
129 H A 0.0000
130 S A -0.9819
131 V A 0.0000
132 I A 0.0000
133 I A 0.0000
134 P A 0.0000
135 G A -0.7564
136 M A 0.0000
137 Q A -2.3135
138 K A -3.2652
139 D A -3.5563
140 Q A 0.0000
141 S A -1.1367
142 I A 0.1963
143 H A -0.1594
144 I A -0.2411
145 E A -1.5862
146 N A -2.6202
147 L A -3.3739
148 K A -3.9598
149 S A -4.1221
150 E A -3.2884
151 R A 0.0000
152 G A 0.0000
153 K A -1.5371
154 I A 0.0000
155 L A 0.0000
156 D A 0.0000
157 R A 0.0000
158 N A -1.7392
159 N A -1.3654
160 V A -0.3418
161 E A -1.0817
162 L A 0.0000
163 A A 0.0000
164 N A -0.8434
165 T A -1.0490
166 G A -0.8551
167 T A -1.4531
168 A A 0.0000
169 Y A -1.4144
170 E A -1.0482
171 I A 0.0000
172 G A 0.0000
173 I A 0.0000
174 V A -1.5075
175 P A -2.2676
176 K A -3.0225
177 N A -1.6497
178 V A -1.3296
179 S A -1.9661
180 K A -3.2601
181 K A -3.2154
182 D A -2.7189
183 Y A -3.0867
184 K A -3.7787
185 A A -2.5559
186 I A 0.0000
187 A A 0.0000
188 K A -3.2246
189 E A -2.8545
190 L A 0.0000
191 S A -1.8151
192 I A -1.3346
193 S A -2.0578
194 E A -3.5534
195 D A -3.1269
196 Y A -1.9128
197 I A 0.0000
198 K A -3.2715
199 Q A -3.0097
200 Q A -2.0705
201 M A 0.0000
202 D A -2.9564
203 Q A -2.0960
204 N A -1.5653
205 W A -0.1038
206 V A -1.4102
207 Q A -2.8634
208 D A -3.7598
209 D A -3.3480
210 T A -1.6233
211 F A -0.7031
212 V A 0.0000
213 P A -0.2709
214 L A 0.0000
215 K A -0.2267
216 T A -0.6035
217 V A -0.5877
218 K A -1.1685
219 K A -1.9048
220 M A -1.3018
221 D A -2.4695
222 E A -2.7268
223 Y A -0.6031
224 L A 0.0000
225 S A -2.1813
226 D A -3.3893
227 F A 0.0000
228 A A 0.0000
229 K A -3.6544
230 K A -3.2163
231 F A -1.9069
232 H A -2.2167
233 L A 0.0000
234 T A -0.5776
235 T A -0.7766
236 N A -1.6433
237 E A -2.4932
238 T A -2.0311
239 E A -2.2948
240 S A -1.1975
241 R A 0.0000
242 N A -0.7543
243 Y A 0.0000
244 P A -0.4745
245 L A -0.5673
246 G A -1.1298
247 K A -1.9733
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 -0.1608
258 P A -0.9290
259 I A 0.0000
260 N A -2.3272
261 S A -2.2478
262 E A -2.8564
263 E A -2.6319
264 L A -2.9067
265 K A -3.3694
266 Q A -3.3568
267 K A -3.3344
268 E A -2.7760
269 Y A 0.0000
270 K A -3.2720
271 G A -2.0250
272 Y A -2.5418
273 K A -3.4112
274 D A -3.5160
275 D A -3.1606
276 A A -2.1488
277 V A -0.4437
278 I A 0.0000
279 G A 0.0000
280 K A -0.8761
281 K A -1.1030
282 G A -0.6130
283 L A 0.0000
284 E A 0.0000
285 K A -1.3408
286 L A -0.2659
287 Y A -0.7905
288 D A 0.0000
289 K A -2.7230
290 K A -2.7038
291 L A 0.0000
292 Q A -2.5985
293 H A -3.9780
294 E A -4.8014
295 D A -5.0189
296 G A 0.0000
297 Y A -3.0164
298 R A -2.3631
299 V A 0.0000
300 T A 0.0000
301 I A 0.0000
302 V A 0.0000
303 D A -2.3412
304 D A -3.1023
305 N A -2.7810
306 S A -1.9612
307 N A -1.9124
308 T A -0.4260
309 I A 1.2328
310 A A 0.3795
311 H A 0.2713
312 T A -0.1807
313 L A -0.8048
314 I A -1.6487
315 E A -3.2398
316 K A -4.1161
317 K A -4.7131
318 K A -5.4733
319 K A -5.2792
320 D A -4.7383
321 G A -3.6464
322 K A -3.4705
323 D A -2.1726
324 I A 0.0000
325 Q A -1.7373
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 -1.4406
332 V A 0.0000
333 Q A 0.0000
334 K A -2.0533
335 S A 0.0000
336 I A 0.0000
337 Y A 0.0000
338 N A -2.1382
339 N A -1.7043
340 M A 0.0000
341 K A -2.2024
342 N A -2.0647
343 D A -1.3447
344 Y A -1.1747
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 -0.3250
352 P A 0.0000
353 Q A -1.0019
354 T A -0.9318
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 -1.2879
365 S A -1.1039
366 Y A 0.0000
367 D A -1.4169
368 V A 0.0000
369 Y A 0.0000
370 P A -0.2595
371 F A 0.0956
372 M A 0.0149
373 Y A 0.0610
374 G A -0.2929
375 M A -0.7107
376 S A -2.0774
377 N A -2.7697
378 E A -3.4329
379 E A -2.9477
380 Y A -1.7883
381 N A -3.1086
382 K A -3.7112
383 L A -2.3293
384 T A -2.1563
385 E A -3.5281
386 D A -3.5267
387 K A -3.4448
388 K A -2.7921
389 E A -2.1407
390 P A 0.0000
391 L A 0.2613
392 L A 0.3009
393 N A 0.1045
394 K A 0.0000
395 F A 0.0000
396 Q A 0.2881
397 I A 0.7303
398 T A 0.3056
399 T A -0.0487
400 S A -0.5747
401 P A 0.0000
402 G A 0.0000
403 S A -0.2892
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 -1.4783
416 N A -1.6270
417 K A -2.1254
418 T A -1.4999
419 L A 0.0000
420 D A -2.5115
421 D A -3.1322
422 K A -2.8907
423 T A -1.9992
424 S A -1.9000
425 Y A -1.5422
426 K A -2.8996
427 I A 0.0000
428 D A -2.9161
429 G A -1.6929
430 K A -1.9261
431 G A -1.1970
432 W A -1.3777
433 Q A -1.9422
434 K A -2.7442
435 D A -2.7620
436 K A -2.8460
437 S A -1.7188
438 W A 0.0000
439 G A -1.4496
440 G A -0.9287
441 Y A -0.3450
442 N A -1.2346
443 V A 0.0000
444 T A -0.5668
445 R A 0.0000
446 Y A 0.6037
447 E A -0.4598
448 V A -0.1346
449 V A -0.4366
450 N A -2.3323
451 G A -2.1589
452 N A -2.5578
453 I A 0.0000
454 D A -2.3058
455 L A 0.0000
456 K A -1.7414
457 Q A -1.0982
458 A A 0.0000
459 I A 0.0000
460 E A -1.1564
461 S A -0.5099
462 S A -0.3323
463 D A 0.0000
464 N A -0.5891
465 I A 0.0000
466 F A 0.0000
467 F A 0.0000
468 A A 0.0000
469 R A -1.0568
470 V A 0.0000
471 A A 0.0000
472 L A -1.2903
473 E A -1.9911
474 L A 0.0000
475 G A -1.9803
476 S A -3.0379
477 K A -3.3922
478 K A -3.1524
479 F A 0.0000
480 E A -3.0377
481 K A -3.2310
482 G A 0.0000
483 M A 0.0000
484 K A -2.4249
485 K A -2.1228
486 L A 0.0000
487 G A 0.0000
488 V A 0.0000
489 G A -2.1173
490 E A -2.9714
491 D A -2.5609
492 I A 0.0000
493 P A -0.8455
494 S A -0.5016
495 D A -0.4163
496 Y A 0.0000
497 P A -0.1600
498 F A 0.0000
499 Y A 0.6509
500 N A -1.0950
501 A A -0.9868
502 Q A -1.9905
503 I A 0.0000
504 S A 0.0000
505 N A -3.0978
506 K A -3.5540
507 N A -3.4564
508 L A 0.0000
509 D A -3.6236
510 N A -2.6509
511 E A -1.9773
512 I A -0.6245
513 L A -1.1931
514 L A 0.0000
515 A A 0.0000
516 D A -0.8701
517 S A 0.0000
518 G A 0.0000
519 Y A 0.0000
520 G A 0.0000
521 Q A -1.8974
522 G A -1.5052
523 E A -2.7865
524 I A 0.0000
525 L A -0.4672
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 -1.1458
540 N A -1.3505
541 N A -2.4256
542 G A 0.0000
543 N A -1.6832
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 -2.5936
552 D A -3.0179
553 T A -2.5222
554 K A -3.1005
555 N A -2.6946
556 K A -1.6053
557 V A -0.3595
558 W A -0.3022
559 K A -1.3069
560 K A -2.4911
561 N A -2.8232
562 I A 0.0000
563 I A 0.0000
564 S A -2.3512
565 K A -3.4065
566 E A -3.0586
567 N A -2.4152
568 I A 0.0000
569 N A -2.2609
570 L A -1.8968
571 L A 0.0000
572 T A 0.0000
573 D A -1.4918
574 G A 0.0000
575 M A 0.0000
576 Q A -1.3605
577 Q A -1.7415
578 V A 0.0000
579 V A 0.0000
580 N A -1.9190
581 K A -2.6195
582 T A -1.6739
583 H A 0.0000
584 K A -2.7342
585 E A -2.8190
586 D A -1.9186
587 I A 0.0000
588 Y A -1.0266
589 R A -0.7830
590 S A -0.3476
591 Y A -1.2961
592 A A -1.0277
593 N A -1.0688
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 -0.3204
601 A A -1.2300
602 E A -2.6718
603 L A -1.9774
604 K A -2.4360
609 E A -2.5930
610 T A -2.0203
611 G A -2.1848
612 R A -2.6940
613 Q A -2.0033
614 I A -0.5702
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 -1.6469
623 D A -2.4172
624 N A -1.8387
625 P A -1.0873
626 N A -0.8979
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 -0.1062
633 V A 0.0000
634 K A -0.8808
635 D A -1.6027
636 V A 0.0000
637 Q A -2.2399
638 D A -2.7976
639 K A -2.2188
640 G A -1.5130
641 M A -0.8769
642 A A 0.0000
643 S A -0.9417
644 Y A -0.8083
645 N A 0.0000
646 A A 0.0000
647 K A -1.8829
648 I A 0.0000
649 S A 0.0000
650 G A 0.0000
651 K A -2.7749
652 V A 0.0000
653 Y A 0.0000
654 D A -3.0651
655 E A -3.4609
656 L A 0.0000
657 Y A 0.0000
658 E A -4.4326
659 N A -3.7670
660 G A -3.0577
661 N A -3.4507
662 K A -4.2510
663 K A -3.7527
664 Y A 0.0000
665 D A -3.1120
666 I A -2.1691
667 D A -3.0690
668 E A -3.1901
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018