Project name: 1cc31c7312625b0

Status: done

Started: 2026-04-10 14:28:55
Settings
Chain sequence(s) A: MKSNQERSNECLPPKKREIPATSRSSEEKAPTLPSDNHRVEGTAWLPGNPGGRGHGGGRHGPAGTSVELGLQQGIGLHKALSTGLDYSPPSAPRSVPVATTLPAAYATPQPGTPVSPVQYAHLPHTFQFIGSSQYSGTYASFIPSQLIPPTANPVTSAVASAAGATTPSQRSQLEAYSTLLANMGSLSQTPGHKAEQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQHLSRAPGLITPGSPPPAQQNQYVHISSSPQNTGRTASPPAIPVHLHPHQTMIPHTLTLGPPSQVVMQYADSGSHFVPREATKKAESSRLQQAIQAKEVLNGEMEKSRRYGAPSSADLGLGKAGGKSVPHPYESRHVVVHPSPSDYSSRDPSGVRASVMVLPNSNTPAADLEVQQATHREASPSTLNDKSGLHLGKPGHRSYALSPHTVIQTTHSASEPLPVGLPATAFYAGTQPPVIGYLSGQQQAITYAGSLPQHLVIPGTQPLLIPVGSTDMEASGAAPAIVTSSPQFAAVPHTFVTTALPKSENFNPEALVTQAAYPAMVQAQIHLPVVQSVASPAAAPPTLPPYFMKGSIIQLANGELKKVEDLKTEDFIQSAEISNDLKIDSSTVERIEDSHSPGVAVIQFAVGEHRAQVSVEVLVEYPFFVFGQGWSSCCPERTSQLFDLPCSKLSVGDVCISLTLKNLKNGSVKKGQPVDPASVLLKHSKADGLAGSRHRYAEQENGINQGSAQMLSENGELKFPEKMGLPAAPFLTKIEPSKPAATRKRRWSAPESRKLEKSEDEPPLTLPKPSLIPQEVKICIEGRSNVGK
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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:07:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:12)
Show buried residues

Minimal score value
-5.3191
Maximal score value
3.3338
Average score
-0.854
Total score value
-739.5756

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 M A -0.1300
2 K A -1.9281
3 S A -2.1983
4 N A -3.1721
5 Q A -3.6526
6 E A -4.2948
7 R A -4.0043
8 S A -2.8669
9 N A -2.8143
10 E A -2.2281
11 C A -0.0777
12 L A 0.6651
13 P A -0.3735
14 P A -1.3737
15 K A -3.2091
16 K A -3.7804
17 R A -3.6041
18 E A -2.5122
19 I A 0.3163
20 P A -0.0036
21 A A -0.1318
22 T A -0.3639
23 S A -1.2399
24 R A -2.1078
25 S A -1.6341
26 S A -1.9880
27 E A -3.2326
28 E A -3.6145
29 K A -3.0065
30 A A -1.2870
31 P A -0.2919
32 T A 0.5178
33 L A 1.2865
34 P A 0.0411
35 S A -1.1871
36 D A -2.8160
37 N A -3.1360
38 H A -2.5923
39 R A -2.0900
40 V A -0.4217
41 E A -1.5493
42 G A -1.0601
43 T A -0.2635
44 A A 0.8995
45 W A 1.8880
46 L A 1.8881
47 P A 0.3325
48 G A -0.9439
49 N A -1.7857
50 P A -1.3546
51 G A -1.4800
52 G A -1.7916
53 R A -2.6175
54 G A -2.1048
55 H A -1.9533
56 G A -1.4297
57 G A -1.5632
58 G A -1.9693
59 R A -2.7883
60 H A -2.3079
61 G A -1.4740
62 P A -0.7667
63 A A -0.4095
64 G A -0.5630
65 T A -0.0401
66 S A 0.1630
67 V A 1.0472
68 E A -0.3158
69 L A 1.0759
70 G A 0.4648
71 L A 0.7971
72 Q A -1.2058
73 Q A -1.2790
74 G A -0.3972
75 I A 1.6294
76 G A 0.8031
77 L A 0.8466
78 H A -1.1355
79 K A -1.4487
80 A A -0.1232
81 L A 1.0699
82 S A -0.1534
83 T A -0.6821
84 G A -1.0081
85 L A 0.1846
86 D A -0.5073
87 Y A 0.5673
88 S A -0.1561
89 P A -0.2754
90 P A -0.5205
91 S A -0.4148
92 A A -0.5812
93 P A -1.2183
94 R A -1.6955
95 S A -0.3513
96 V A 1.5257
97 P A 1.5535
98 V A 2.0347
99 A A 0.8459
100 T A 0.7194
101 T A 0.6413
102 L A 1.3849
103 P A 0.6538
104 A A 0.5967
105 A A 0.6934
106 Y A 1.3194
107 A A 0.5209
108 T A -0.2523
109 P A -0.8867
110 Q A -1.5531
111 P A -1.1467
112 G A -0.9375
113 T A -0.0610
114 P A 0.4429
115 V A 1.4726
116 S A 0.8329
117 P A 0.3913
118 V A 1.2975
119 Q A 0.1654
120 Y A 1.1075
121 A A 0.3712
122 H A -0.1403
123 L A 0.8615
124 P A -0.2630
125 H A -0.6418
126 T A 0.0836
127 F A 1.4441
128 Q A 1.0422
129 F A 2.6800
130 I A 2.4975
131 G A 0.3988
132 S A -1.0531
133 S A -1.2913
134 Q A -1.3887
135 Y A 0.2519
136 S A -0.1071
137 G A -0.3703
138 T A -0.2541
139 Y A 0.7155
140 A A 0.7492
141 S A 1.3049
142 F A 2.7579
143 I A 2.5674
144 P A 0.8739
145 S A 0.0400
146 Q A 0.2034
147 L A 1.7771
148 I A 2.2607
149 P A 0.8560
150 P A 0.0716
151 T A -0.2647
152 A A -0.7079
153 N A -1.0490
154 P A -0.0313
155 V A 1.3008
156 T A 0.8677
157 S A 0.5008
158 A A 0.8353
159 V A 1.7403
160 A A 0.8922
161 S A 0.2666
162 A A 0.0735
163 A A -0.1874
164 G A -0.4074
165 A A -0.2224
166 T A -0.2210
167 T A -0.2580
168 P A -0.6403
169 S A -1.3428
170 Q A -2.3512
171 R A -2.8509
172 S A -1.6211
173 Q A -1.2497
174 L A 0.0036
175 E A -1.0058
176 A A 0.0961
177 Y A 0.8571
178 S A 0.7473
179 T A 1.2638
180 L A 2.2850
181 L A 2.2115
182 A A 0.7739
183 N A -0.4754
184 M A 0.5034
185 G A 0.0216
186 S A 0.3795
187 L A 1.0834
188 S A -0.1253
189 Q A -1.0841
190 T A -1.2366
191 P A -1.5804
192 G A -2.0755
193 H A -3.3401
194 K A -3.9158
195 A A -3.6128
196 E A -4.9420
197 Q A -4.9725
198 Q A -4.8818
199 Q A -5.1108
200 Q A -5.3191
201 Q A -4.9466
202 Q A -4.9717
203 Q A -5.0942
204 Q A -4.8409
205 Q A -4.8037
206 Q A -4.7911
207 Q A -4.6432
208 Q A -4.7774
209 Q A -4.8722
210 Q A -4.8656
211 Q A -4.8915
212 Q A -4.9545
213 Q A -4.9968
214 Q A -5.0291
215 Q A -5.0531
216 Q A -5.0379
217 Q A -4.9916
218 Q A -5.0258
219 Q A -4.9827
220 Q A -4.9720
221 Q A -4.9913
222 Q A -4.9610
223 Q A -4.9498
224 Q A -4.9750
225 Q A -4.9782
226 Q A -4.9464
227 Q A -4.9140
228 Q A -4.9528
229 Q A -4.9253
230 Q A -4.9222
231 Q A -4.9505
232 Q A -4.9082
233 Q A -4.9129
234 Q A -4.9787
235 Q A -4.9638
236 Q A -4.9050
237 Q A -4.9400
238 Q A -4.8994
239 Q A -4.8317
240 Q A -5.0133
241 Q A -4.8382
242 Q A -4.7467
243 Q A -4.5267
244 Q A -4.7534
245 Q A -4.8058
246 Q A -4.7676
247 Q A -4.8133
248 Q A -4.8910
249 Q A -4.8607
250 Q A -4.8829
251 Q A -4.8880
252 Q A -4.9405
253 Q A -4.9465
254 Q A -4.8781
255 Q A -4.8618
256 Q A -4.9173
257 Q A -4.8686
258 Q A -4.8743
259 Q A -4.9162
260 Q A -4.9026
261 Q A -4.8926
262 Q A -4.8869
263 Q A -4.8816
264 Q A -4.8161
265 Q A -4.6953
266 Q A -4.5742
267 Q A -4.5851
268 Q A -4.5421
269 Q A -4.2689
270 Q A -4.2459
271 Q A -4.5983
272 Q A -4.3323
273 Q A -4.1055
274 Q A -3.7816
275 Q A -3.5833
276 Q A -3.4504
277 H A -2.7342
278 L A -0.9191
279 S A -1.4585
280 R A -2.1194
281 A A -0.9454
282 P A -0.3792
283 G A 0.6072
284 L A 2.2277
285 I A 2.5868
286 T A 1.0088
287 P A -0.2043
288 G A -0.7698
289 S A -0.6933
290 P A -0.6763
291 P A -0.5496
292 P A -0.6444
293 A A -0.9622
294 Q A -2.0925
295 Q A -2.6812
296 N A -2.2618
297 Q A -1.0737
298 Y A 1.1302
299 V A 1.9571
300 H A 0.9738
301 I A 1.7483
302 S A 0.3667
303 S A -0.0649
304 S A -0.4853
305 P A -1.2857
306 Q A -2.0787
307 N A -2.0687
308 T A -1.5837
309 G A -1.8432
310 R A -2.1201
311 T A -1.1171
312 A A -0.5132
313 S A -0.3648
314 P A -0.2499
315 P A 0.0830
316 A A 0.8235
317 I A 2.1888
318 P A 1.4019
319 V A 1.8696
320 H A 0.4533
321 L A 0.8585
322 H A -0.7238
323 P A -1.0546
324 H A -1.8550
325 Q A -1.5386
326 T A 0.0951
327 M A 1.6884
328 I A 2.1464
329 P A 0.5514
330 H A -0.3666
331 T A 0.1336
332 L A 1.5712
333 T A 1.3881
334 L A 1.5248
335 G A 0.1490
336 P A -0.3136
337 P A -0.8109
338 S A -0.3934
339 Q A 0.0791
340 V A 2.1312
341 V A 2.6387
342 M A 1.9085
343 Q A 0.5958
344 Y A 0.8435
345 A A -0.4923
346 D A -1.7095
347 S A -1.3805
348 G A -1.2922
349 S A -0.6120
350 H A 0.1517
351 F A 2.1975
352 V A 1.9418
353 P A -0.1974
354 R A -2.4812
355 E A -2.7886
356 A A -1.6583
357 T A -1.6313
358 K A -2.5662
359 K A -2.9079
360 A A -2.1065
361 E A -2.2882
362 S A -1.6155
363 S A -1.3253
364 R A -1.6492
365 L A -0.3213
366 Q A -1.4582
367 Q A -1.1141
368 A A 0.2235
369 I A 0.9721
370 Q A -0.4719
371 A A -1.2430
372 K A -2.2107
373 E A -1.4192
374 V A 1.0300
375 L A 1.3340
376 N A -0.6640
377 G A -1.5165
378 E A -2.1526
379 M A -1.1803
380 E A -2.5087
381 K A -2.8467
382 S A -2.7146
383 R A -2.9357
384 R A -2.2451
385 Y A -0.1563
386 G A -0.1971
387 A A -0.0864
388 P A -0.4482
389 S A -0.2564
390 S A -0.2290
391 A A 0.1484
392 D A -0.7199
393 L A 0.9800
394 G A 0.6298
395 L A 1.0351
396 G A -0.6448
397 K A -1.6846
398 A A -1.2202
399 G A -1.3504
400 G A -1.5768
401 K A -1.7578
402 S A -0.3367
403 V A 0.9559
404 P A 0.0858
405 H A -0.5875
406 P A -0.5881
407 Y A 0.1095
408 E A -1.9482
409 S A -1.9967
410 R A -2.5654
411 H A -0.8958
412 V A 2.1933
413 V A 3.0857
414 V A 2.5227
415 H A 0.0270
416 P A -0.5436
417 S A -0.7454
418 P A -0.9044
419 S A -1.0671
420 D A -1.3536
421 Y A 0.2078
422 S A -0.5055
423 S A -1.5291
424 R A -2.9286
425 D A -2.9081
426 P A -1.6987
427 S A -0.5639
428 G A -0.1631
429 V A 0.5692
430 R A -1.1017
431 A A 0.0254
432 S A 1.0105
433 V A 2.8305
434 M A 3.1273
435 V A 3.2463
436 L A 2.4299
437 P A 0.4211
438 N A -1.2182
439 S A -1.3794
440 N A -1.7545
441 T A -1.0029
442 P A -0.5212
443 A A -0.4246
444 A A -0.5654
445 D A -1.3284
446 L A 0.0869
447 E A -0.7304
448 V A 0.2800
449 Q A -1.2630
450 Q A -1.4094
451 A A -1.0659
452 T A -1.2141
453 H A -2.3490
454 R A -3.2745
455 E A -2.9805
456 A A -1.4216
457 S A -0.7286
458 P A -0.4691
459 S A -0.1197
460 T A 0.2724
461 L A 0.4726
462 N A -1.7867
463 D A -2.9805
464 K A -3.0385
465 S A -1.3013
466 G A -0.3564
467 L A 1.0843
468 H A 0.3891
469 L A 0.7891
470 G A -0.7451
471 K A -1.8576
472 P A -1.5504
473 G A -1.8030
474 H A -2.4490
475 R A -2.5516
476 S A -0.7212
477 Y A 1.1749
478 A A 1.3721
479 L A 1.5781
480 S A 0.3869
481 P A -0.4294
482 H A -0.6151
483 T A 0.7551
484 V A 2.2300
485 I A 2.2207
486 Q A 0.1221
487 T A -0.4412
488 T A -0.9029
489 H A -1.1399
490 S A -0.7560
491 A A -0.8065
492 S A -1.1691
493 E A -1.7422
494 P A -0.4982
495 L A 1.2845
496 P A 1.1669
497 V A 2.0264
498 G A 1.0692
499 L A 1.5516
500 P A 0.5270
501 A A 0.2560
502 T A 0.5153
503 A A 1.2899
504 F A 2.6210
505 Y A 2.2294
506 A A 0.8544
507 G A -0.4372
508 T A -0.9106
509 Q A -1.5206
510 P A -0.4729
511 P A 0.6500
512 V A 2.4906
513 I A 2.8465
514 G A 1.8181
515 Y A 2.2186
516 L A 1.9117
517 S A 0.3664
518 G A -1.1343
519 Q A -2.3651
520 Q A -2.5163
521 Q A -1.6149
522 A A 0.1839
523 I A 2.0371
524 T A 1.5068
525 Y A 1.6277
526 A A 0.5742
527 G A 0.0576
528 S A 0.2622
529 L A 1.0015
530 P A -0.3079
531 Q A -1.2135
532 H A -0.5393
533 L A 2.0728
534 V A 3.2821
535 I A 2.9637
536 P A 0.8640
537 G A -0.4692
538 T A -0.9987
539 Q A -0.9929
540 P A 0.2819
541 L A 2.3441
542 L A 3.2067
543 I A 3.3338
544 P A 1.9934
545 V A 2.0024
546 G A 0.0085
547 S A -0.4714
548 T A -0.9245
549 D A -1.8384
550 M A -0.7202
551 E A -1.7639
552 A A -1.0768
553 S A -0.8151
554 G A -0.5222
555 A A -0.2485
556 A A 0.0441
557 P A 0.2866
558 A A 1.3304
559 I A 2.9024
560 V A 2.7609
561 T A 1.1127
562 S A -0.0456
563 S A -0.6618
564 P A -0.5804
565 Q A -0.4149
566 F A 1.3582
567 A A 1.1839
568 A A 1.2765
569 V A 1.4646
570 P A 0.2085
571 H A -0.3287
572 T A 0.6858
573 F A 2.5491
574 V A 2.6749
575 T A 1.1794
576 T A 0.6193
577 A A 0.6978
578 L A 1.0221
579 P A -0.3001
580 K A -1.9527
581 S A -2.2619
582 E A -2.5504
583 N A -1.5355
584 F A 0.2659
585 N A -1.1104
586 P A -1.2527
587 E A -1.8388
588 A A 0.1712
589 L A 1.8903
590 V A 2.2924
591 T A 0.5831
592 Q A -0.6898
593 A A -0.2553
594 A A 0.4375
595 Y A 1.2449
596 P A 0.6042
597 A A 1.0522
598 M A 1.6213
599 V A 1.5710
600 Q A -0.3712
601 A A -0.3037
602 Q A -0.2873
603 I A 1.4056
604 H A 0.6678
605 L A 2.1862
606 P A 1.6240
607 V A 2.3568
608 V A 2.5573
609 Q A 0.6703
610 S A 0.8729
611 V A 1.5735
612 A A 0.5044
613 S A 0.1972
614 P A 0.0540
615 A A 0.0688
616 A A -0.1112
617 A A -0.1528
618 P A -0.3264
619 P A -0.3381
620 T A -0.1215
621 L A 0.2348
622 P A -0.1437
623 P A -0.3239
624 Y A -0.1862
625 F A -0.1667
626 M A -0.7162
627 K A -2.4148
628 G A -1.4545
629 S A -0.6708
630 I A -0.3046
631 I A 0.0000
632 Q A -1.6258
633 L A -0.8688
634 A A -0.9402
635 N A -1.8507
636 G A -1.7615
637 E A -1.9121
638 L A -0.2396
639 K A -1.1282
640 K A -1.5374
641 V A 0.0000
642 E A -2.3104
643 D A -2.7881
644 L A 0.0000
645 K A -2.3456
646 T A -1.4920
647 E A -2.1284
648 D A 0.0000
649 F A -0.5883
650 I A -0.7702
651 Q A -1.4782
652 S A -1.2008
653 A A 0.0000
654 E A -1.9914
655 I A -0.5120
656 S A -1.2945
657 N A -2.2370
658 D A -2.0304
659 L A -1.2256
660 K A -1.6524
661 I A -0.3743
662 D A -0.3722
663 S A -0.5680
664 S A 0.0000
665 T A -0.4665
666 V A 0.0000
667 E A -0.8483
668 R A -1.8694
669 I A -1.4584
670 E A -3.1035
671 D A -2.8782
672 S A -1.9634
673 H A -1.6576
674 S A -0.9417
675 P A -0.7698
676 G A -0.3759
677 V A -0.7954
678 A A 0.0000
679 V A -1.6124
680 I A 0.0000
681 Q A -1.1449
682 F A 0.0000
683 A A 0.0000
684 V A -1.0852
685 G A -1.9132
686 E A -2.9605
687 H A -2.8774
688 R A -3.0140
689 A A -1.7016
690 Q A -1.4294
691 V A 0.1012
692 S A -0.4080
693 V A 0.0155
694 E A -1.6103
695 V A -0.3195
696 L A 0.3244
697 V A -0.0178
698 E A 0.0000
699 Y A 0.6143
700 P A 0.0000
701 F A 0.2488
702 F A 0.0000
703 V A 0.0000
704 F A -0.4561
705 G A -1.2548
706 Q A -1.6512
707 G A -1.2180
708 W A 0.0000
709 S A 0.0000
710 S A 0.0000
711 C A 0.0000
712 C A -0.9727
713 P A -1.7173
714 E A -2.9465
715 R A -2.1794
716 T A 0.0000
717 S A -2.3378
718 Q A -2.2326
719 L A -0.8728
720 F A 0.0000
721 D A -2.8319
722 L A 0.0000
723 P A -1.5521
724 C A -1.2876
725 S A -1.3866
726 K A -2.1025
727 L A 0.0000
728 S A -0.1344
729 V A 0.8354
730 G A -0.0245
731 D A -0.1140
732 V A 0.4339
733 C A 0.0000
734 I A 0.7093
735 S A 0.3502
736 L A 0.6463
737 T A 0.2395
738 L A 0.2116
739 K A -1.5016
740 N A -2.0701
741 L A -0.2753
742 K A -2.3015
743 N A -2.0260
744 G A -1.1783
745 S A -0.9377
746 V A 0.1400
747 K A -2.2740
748 K A -2.7391
749 G A -1.8459
750 Q A -2.0546
751 P A -0.8702
752 V A 0.2476
753 D A -1.2862
754 P A -0.4783
755 A A 0.2793
756 S A 1.1218
757 V A 2.6540
758 L A 2.7253
759 L A 1.7332
760 K A -0.8521
761 H A -1.8331
762 S A -1.9309
763 K A -2.3967
764 A A -1.8964
765 D A -2.0674
766 G A -0.6134
767 L A 0.8867
768 A A 0.4682
769 G A -0.6160
770 S A -1.5305
771 R A -2.8869
772 H A -2.5786
773 R A -2.0478
774 Y A -0.0723
775 A A -0.8005
776 E A -2.5087
777 Q A -3.2737
778 E A -3.5090
779 N A -2.2532
780 G A -0.6974
781 I A 0.6399
782 N A -1.0418
783 Q A -1.7173
784 G A -1.4225
785 S A -0.8898
786 A A -0.5336
787 Q A -0.4140
788 M A 1.2030
789 L A 1.3686
790 S A -0.4136
791 E A -2.3299
792 N A -2.8139
793 G A -2.0352
794 E A -1.9093
795 L A 0.0966
796 K A -0.4373
797 F A 0.9002
798 P A -0.7634
799 E A -2.1726
800 K A -2.2191
801 M A -0.0494
802 G A 0.4071
803 L A 1.4190
804 P A 0.4452
805 A A 0.1987
806 A A 0.2734
807 P A 1.0354
808 F A 2.5695
809 L A 2.0901
810 T A 0.6363
811 K A -0.8030
812 I A 0.2243
813 E A -1.3700
814 P A -1.0870
815 S A -1.4028
816 K A -1.9627
817 P A -1.0932
818 A A -0.4080
819 A A -0.3633
820 T A -1.4888
821 R A -3.3407
822 K A -3.8659
823 R A -3.8033
824 R A -2.7361
825 W A -0.5346
826 S A -0.5977
827 A A -0.5969
828 P A -1.3109
829 E A -2.4651
830 S A -2.5441
831 R A -3.1278
832 K A -2.3403
833 L A -1.0384
834 E A -2.5230
835 K A -2.7688
836 S A -2.6848
837 E A -3.5094
838 D A -3.5497
839 E A -2.9682
840 P A -1.4526
841 P A 0.0410
842 L A 1.5150
843 T A 0.9770
844 L A 1.2935
845 P A -0.2214
846 K A -1.3577
847 P A -0.3729
848 S A 0.1566
849 L A 1.3535
850 I A 1.2580
851 P A -0.2889
852 Q A -1.3208
853 E A -2.1884
854 V A 0.0025
855 K A -1.0154
856 I A -1.2128
857 C A -0.1565
858 I A 0.7617
859 E A -1.6083
860 G A -1.4534
861 R A -2.3960
862 S A -1.2642
863 N A -1.5144
864 V A 0.1980
865 G A -0.8400
866 K A -1.7555
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Laboratory of Theory of Biopolymers 2018