Project name: f3f51f4244cc705

Status: done

Started: 2026-06-18 12:03:33
Settings
Chain sequence(s) A: MLSWRLQTGPEKAELQELNARLYDYVCRVRELERENLLLEEELRGRRGREGLWAEGQARCAEEARSLRQQLDELSWATALAEGERDALRRELRELQRLDAEERAARGRLDAELGAQQRELQEALGARAALEALLGRLQAERRGLDAAHERDVRELRARAASLTMHFRARATGPAAPPPRLREVHDSYALLVAESWRETVQLYEDEVRELEEALRRGQESRLQAEEETRLCAQEAEALRREALGLEQLRARLEDALLRMREEYGIQAEERQRVIDCLEDEKATLTLAMADWLRDYQDLLQVKTGLSLEVATYRALLEGESNPEIVIWAEHVENMPSEFRNKSYHYTDSLLQRENERNLFSRQKAPLASFNHSSALYSNLSGHRGSQTGTSIGGDARRGFLGSGYSSSATTQQENSYGKAVSSQTNVRTFSPTYGLLRNTEAQVKTFPDRPKAGDTREVPVYIGEDSTIARESYRDRRDKVAAGASESTRSNERTVILGKKTEVKATREQERNRPETIRTKPEEKMFDSKEKASEERNLRWEELTKLDKEARQRESQQMKEKAKEKDSPKEKSVREREVPISLEVSQDRRAEVSPKGLQTPVKDAGGGTGREAEARELRFRLGTSDATGSLQGDSMTETVAENIVTSILKQFTQSPETEASADSFPDTKVTYVDRKELPGERKTKTEIVVESKLTEDVDVSDEAGLDYLLSKDIKEVGLKGKSAEQMIGDIINLGLKGREGRAKVVNVEIVEEPVSYVSGEKPEEFSVPFKVEEVEDVSPGPWGLVKEEEGYGESDVTFSVNQHRRTKQPQENTTHVEEVTEAGDSEGEQSYFVSTPDEHPGGHDRDDGSVYGQIHIEEESTIRYSWQDEIVQGTRRRTQKDGAVGEKVVKPLDVPAPSLEGDLGSTHWKEQARSGEFHAEPTVIEKEIKIPHEFHTSMKGISSKEPRQQLVEVIGQLEETLPERMREELSALTREGQGGPGSVSVDVKKVQGAGGSSVTLVAEVNVSQTVDADRLDLEELSKDEASEMEKAVESVVRESLSRQRSPAPGSPDEEGGAEAPAAGIRFRRWATRELYIPSGESEVAGGASHSSGQRTPQGPVSATVEVSSPTGFAQSQVLEDVSQAARHIKLGPSEVWRTERMSYEGPTAEVVEVSAGGDLSQAASPTGASRSVRHVTLGPGQSPLSREVIFLGPAPACPEAWGSPEPGPAESSADMDGSGRHSTFGCRQFHAEKEIIFQGPISAAGKVGDYFATEESVGTQTSVRQLQLGPKEGFSGQIQFTAPLSDKVELGVIGDSVHMEGLPGSSTSIRHISIGPQRHQTTQQIVYHGLVPQLGESGDSESTVHGEGSADVHQATHSHTSGRQTVMTEKSTFQSVVSESPQEDSAEDTSGAEMTSGVSRSFRHIRLGPTETETSEHIAIRGPVSRTFVLAGSADSPELGKLADSSRTLRHIAPGPKETSFTFQMDVSNVEAIRSRTQEAGALGVSDRGSWRDADSRNDQAVGVSFKASAGEGDQAHREQGKEQAMFDKKVQLQRMVDQRSVISDEKKVALLYLDNEEEENDGHWF
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                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:33:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:34:02)
Show buried residues

Minimal score value
-5.276
Maximal score value
3.6294
Average score
-1.11
Total score value
-1737.1584

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 1.8765
2 L A 1.9121
3 S A 0.9975
4 W A 1.0175
5 R A -0.5350
6 L A 0.3617
7 Q A -1.1284
8 T A -1.8161
9 G A -1.7836
10 P A -2.4111
11 E A -3.4520
12 K A -3.6240
13 A A -3.0057
14 E A -3.6045
15 L A -2.6677
16 Q A -3.2581
17 E A -3.1868
18 L A -1.4092
19 N A -1.5880
20 A A -1.4156
21 R A -1.3002
22 L A 0.7508
23 Y A 0.9576
24 D A -0.6987
25 Y A 0.8507
26 V A 1.1256
27 C A -0.3433
28 R A -0.9175
29 V A -0.4436
30 R A -2.9507
31 E A -2.7249
32 L A -1.9069
33 E A -3.2150
34 R A -3.3338
35 E A -2.4621
36 N A -2.6339
37 L A -0.9614
38 L A -0.6131
39 L A -1.3891
40 E A -3.1449
41 E A -3.5943
42 E A -3.8259
43 L A -3.4425
44 R A -5.0096
45 G A -4.7385
46 R A -5.2760
47 R A -4.8600
48 G A -3.4011
49 R A -3.2216
50 E A -3.4343
51 G A -1.9316
52 L A -0.3183
53 W A -0.4416
54 A A -1.0561
55 E A -1.7637
56 G A -1.4917
57 Q A -1.9666
58 A A -2.1437
59 R A -3.5273
60 C A -2.3332
61 A A -2.5746
62 E A -4.0362
63 E A -3.7288
64 A A -2.7332
65 R A -3.7559
66 S A -2.6762
67 L A -1.6611
68 R A -3.2532
69 Q A -3.2788
70 Q A -1.8836
71 L A -0.6014
72 D A -2.2798
73 E A -1.9242
74 L A 0.3368
75 S A 0.1830
76 W A 0.8562
77 A A 0.7468
78 T A 0.1325
79 A A 0.2445
80 L A 0.6437
81 A A -0.6979
82 E A -1.4415
83 G A -1.6357
84 E A -2.4978
85 R A -2.3718
86 D A -2.2545
87 A A -2.0406
88 L A -1.6764
89 R A -2.8621
90 R A -3.8273
91 E A -3.1817
92 L A -1.6278
93 R A -3.5634
94 E A -3.0274
95 L A -1.5483
96 Q A -2.8923
97 R A -3.0446
98 L A -1.8442
99 D A -3.2683
100 A A -3.0872
101 E A -3.6767
102 E A -4.4150
103 R A -4.2856
104 A A -3.2277
105 A A -3.2611
106 R A -4.1110
107 G A -3.4091
108 R A -3.2683
109 L A -1.7163
110 D A -2.6759
111 A A -2.2423
112 E A -2.7982
113 L A -1.5561
114 G A -2.0472
115 A A -2.5131
116 Q A -3.4392
117 Q A -3.4787
118 R A -4.2392
119 E A -3.8829
120 L A -2.3216
121 Q A -3.2132
122 E A -3.5365
123 A A -1.8400
124 L A -0.6671
125 G A -1.3202
126 A A -1.0666
127 R A -1.8025
128 A A -0.7791
129 A A -0.0549
130 L A 0.1343
131 E A -1.3876
132 A A -0.6301
133 L A 0.2118
134 L A 0.1282
135 G A -1.4213
136 R A -2.5045
137 L A -1.9786
138 Q A -2.7257
139 A A -2.9487
140 E A -3.7446
141 R A -3.9913
142 R A -4.0350
143 G A -2.7066
144 L A -1.9763
145 D A -3.7606
146 A A -3.0189
147 A A -2.7980
148 H A -3.7281
149 E A -4.3140
150 R A -4.6545
151 D A -4.2598
152 V A -3.1711
153 R A -4.3098
154 E A -3.4180
155 L A -1.7589
156 R A -2.7637
157 A A -1.9775
158 R A -1.9925
159 A A -0.8129
160 A A -0.4123
161 S A 0.1004
162 L A 0.9059
163 T A 0.7184
164 M A 1.0149
165 H A 0.1669
166 F A 0.8181
167 R A -1.2019
168 A A -1.1310
169 R A -2.0130
170 A A -1.2174
171 T A -0.6729
172 G A -0.5970
173 P A -0.4510
174 A A -0.1809
175 A A -0.1364
176 P A -0.3887
177 P A -0.5766
178 P A -1.3082
179 R A -2.2899
180 L A -1.1462
181 R A -2.9985
182 E A -3.0706
183 V A -1.4231
184 H A -1.7648
185 D A -1.7573
186 S A 0.1669
187 Y A 1.4026
188 A A 1.1774
189 L A 2.2890
190 L A 2.5007
191 V A 2.4127
192 A A 0.8450
193 E A -0.8761
194 S A -0.4941
195 W A 0.0651
196 R A -2.2256
197 E A -2.5621
198 T A -0.9570
199 V A -1.0229
200 Q A -1.8052
201 L A -0.2712
202 Y A -0.5783
203 E A -2.3807
204 D A -2.4960
205 E A -2.6655
206 V A -1.8392
207 R A -3.4454
208 E A -3.5658
209 L A -1.6584
210 E A -2.5605
211 E A -3.0965
212 A A -1.6599
213 L A -0.9675
214 R A -2.9369
215 R A -2.7287
216 G A -2.3474
217 Q A -2.5395
218 E A -3.1493
219 S A -2.7253
220 R A -3.3934
221 L A -1.9251
222 Q A -3.0303
223 A A -2.7069
224 E A -2.9866
225 E A -2.7168
226 E A -2.9151
227 T A -2.1738
228 R A -2.9169
229 L A -1.4425
230 C A -1.1983
231 A A -1.5447
232 Q A -2.5108
233 E A -2.4776
234 A A -2.0445
235 E A -2.9898
236 A A -2.2869
237 L A -1.4175
238 R A -2.8872
239 R A -3.1691
240 E A -2.5421
241 A A -1.2359
242 L A -0.7008
243 G A -1.1877
244 L A -0.7548
245 E A -2.2166
246 Q A -2.1247
247 L A -1.1481
248 R A -2.5888
249 A A -2.4550
250 R A -2.5469
251 L A -1.3455
252 E A -1.9256
253 D A -2.0821
254 A A -1.2008
255 L A -0.5608
256 L A -1.0350
257 R A -2.1840
258 M A -0.9086
259 R A -0.7045
260 E A -1.1564
261 E A -1.2722
262 Y A -0.2077
263 G A -0.7250
264 I A -0.1880
265 Q A -1.7218
266 A A -1.9310
267 E A -2.8152
268 E A -3.1292
269 R A -3.0292
270 Q A -2.4653
271 R A -1.5776
272 V A 0.3767
273 I A -0.1260
274 D A -1.2068
275 C A -0.5678
276 L A -0.6913
277 E A -2.4036
278 D A -2.4069
279 E A -2.2664
280 K A -2.2827
281 A A -1.0119
282 T A -0.0640
283 L A 0.7756
284 T A 0.8621
285 L A 1.7099
286 A A 1.2765
287 M A 1.2687
288 A A 0.3168
289 D A -1.1970
290 W A -0.0341
291 L A -0.2078
292 R A -2.6552
293 D A -2.5847
294 Y A -0.6130
295 Q A -1.7433
296 D A -2.2850
297 L A -0.5753
298 L A -0.6216
299 Q A -1.1352
300 V A 0.7952
301 K A -0.6874
302 T A -0.0816
303 G A 0.6085
304 L A 1.3137
305 S A 0.8179
306 L A 1.3195
307 E A 0.3031
308 V A 1.3187
309 A A 1.0376
310 T A 0.9031
311 Y A 1.3368
312 R A 0.1315
313 A A 0.1356
314 L A 1.3035
315 L A 0.6990
316 E A -1.3961
317 G A -0.7774
318 E A -1.5493
319 S A -1.5135
320 N A -1.2296
321 P A -0.1662
322 E A 0.4906
323 I A 1.2186
324 V A 2.1768
325 I A 2.6554
326 W A 1.8808
327 A A 0.7140
328 E A -0.9780
329 H A -0.5932
330 V A 0.0619
331 E A -2.1227
332 N A -1.9659
333 M A -0.6351
334 P A -0.8288
335 S A -1.9144
336 E A -2.2344
337 F A -0.7881
338 R A -2.1785
339 N A -2.8666
340 K A -2.3995
341 S A -1.0174
342 Y A -0.2876
343 H A -0.9632
344 Y A 0.5561
345 T A -0.0729
346 D A -1.6812
347 S A -1.0046
348 L A -0.5705
349 L A -1.2758
350 Q A -3.1063
351 R A -3.9014
352 E A -3.7557
353 N A -2.9719
354 E A -2.9669
355 R A -3.4398
356 N A -2.8715
357 L A -0.9767
358 F A -0.3991
359 S A -1.5378
360 R A -2.4750
361 Q A -2.0572
362 K A -2.1056
363 A A -0.9476
364 P A 0.1306
365 L A 1.2483
366 A A 1.0964
367 S A 0.2299
368 F A 1.0374
369 N A -0.9249
370 H A -1.2185
371 S A -0.9185
372 S A -0.2303
373 A A 0.8689
374 L A 1.9415
375 Y A 1.8414
376 S A 0.6797
377 N A -0.1609
378 L A 0.8797
379 S A -0.2112
380 G A -1.3648
381 H A -2.2895
382 R A -2.7466
383 G A -2.1447
384 S A -1.4451
385 Q A -1.5292
386 T A -0.9656
387 G A -0.8443
388 T A -0.0365
389 S A 0.5470
390 I A 1.5622
391 G A -0.1865
392 G A -1.1274
393 D A -2.7031
394 A A -2.4092
395 R A -3.1421
396 R A -2.6393
397 G A -0.3170
398 F A 1.6988
399 L A 1.8935
400 G A 0.5783
401 S A 0.0122
402 G A -0.0433
403 Y A 0.7882
404 S A 0.1407
405 S A -0.2057
406 S A -0.2316
407 A A -0.1698
408 T A -0.3854
409 T A -1.2444
410 Q A -2.3036
411 Q A -3.1678
412 E A -3.4282
413 N A -2.2127
414 S A -0.8575
415 Y A 0.2962
416 G A -0.6060
417 K A -1.2097
418 A A 0.1019
419 V A 1.2365
420 S A 0.2419
421 S A -0.5683
422 Q A -1.4432
423 T A -1.1709
424 N A -1.3159
425 V A 0.3128
426 R A -0.9965
427 T A 0.1685
428 F A 1.4541
429 S A 0.4854
430 P A 0.2600
431 T A 0.7027
432 Y A 1.5432
433 G A 1.0742
434 L A 1.9101
435 L A 1.1674
436 R A -1.3762
437 N A -2.0232
438 T A -1.7650
439 E A -2.3223
440 A A -1.2114
441 Q A -1.1112
442 V A 0.3693
443 K A -0.7567
444 T A 0.1757
445 F A 1.0457
446 P A -0.8311
447 D A -2.6488
448 R A -3.3202
449 P A -2.0074
450 K A -2.7338
451 A A -1.4939
452 G A -1.7092
453 D A -2.5810
454 T A -2.3271
455 R A -2.8493
456 E A -2.0366
457 V A 0.6250
458 P A 1.3260
459 V A 3.0963
460 Y A 3.0570
461 I A 2.3025
462 G A -0.2752
463 E A -2.6536
464 D A -3.0273
465 S A -1.2958
466 T A 0.1591
467 I A 1.5122
468 A A -0.5148
469 R A -2.2636
470 E A -2.7074
471 S A -1.3734
472 Y A -0.7754
473 R A -2.8331
474 D A -4.1172
475 R A -4.5224
476 R A -4.6830
477 D A -3.9505
478 K A -1.9719
479 V A 0.2142
480 A A 0.4398
481 A A 0.1881
482 G A -0.4448
483 A A -0.7850
484 S A -1.4025
485 E A -2.0959
486 S A -1.6225
487 T A -1.6402
488 R A -2.2993
489 S A -2.1908
490 N A -3.2496
491 E A -3.5073
492 R A -2.6511
493 T A -0.2629
494 V A 2.6867
495 I A 3.6003
496 L A 2.3031
497 G A -0.7046
498 K A -2.7621
499 K A -2.9957
500 T A -1.9763
501 E A -1.9196
502 V A -0.0401
503 K A -1.2801
504 A A -1.1375
505 T A -2.0143
506 R A -3.6789
507 E A -3.8816
508 Q A -4.1219
509 E A -4.4476
510 R A -4.3750
511 N A -4.0703
512 R A -3.8428
513 P A -2.3242
514 E A -2.5939
515 T A -0.8011
516 I A 0.1964
517 R A -1.7579
518 T A -1.5039
519 K A -3.2725
520 P A -3.1421
521 E A -3.4630
522 E A -3.5638
523 K A -3.3091
524 M A -1.1253
525 F A -0.9226
526 D A -3.3549
527 S A -2.5401
528 K A -3.2979
529 E A -4.4853
530 K A -4.6351
531 A A -3.6918
532 S A -4.0395
533 E A -4.7066
534 E A -4.3536
535 R A -4.2001
536 N A -3.1221
537 L A -1.9259
538 R A -3.0068
539 W A -1.6580
540 E A -2.8256
541 E A -2.7162
542 L A -1.1692
543 T A -1.9799
544 K A -3.1964
545 L A -1.8481
546 D A -3.1428
547 K A -4.2933
548 E A -3.8891
549 A A -3.7474
550 R A -4.8787
551 Q A -4.6747
552 R A -5.0803
553 E A -4.9149
554 S A -3.8704
555 Q A -4.0065
556 Q A -4.2510
557 M A -2.9810
558 K A -4.2353
559 E A -5.1191
560 K A -4.3887
561 A A -4.1150
562 K A -5.2197
563 E A -5.0757
564 K A -4.6092
565 D A -4.2146
566 S A -2.9318
567 P A -2.4121
568 K A -3.1575
569 E A -3.6828
570 K A -2.8009
571 S A -0.8952
572 V A 0.0425
573 R A -2.3383
574 E A -3.6579
575 R A -3.7226
576 E A -2.4540
577 V A 0.8919
578 P A 1.4634
579 I A 2.5824
580 S A 1.0844
581 L A 1.4473
582 E A -0.2088
583 V A 0.5782
584 S A -0.8059
585 Q A -2.3577
586 D A -3.5939
587 R A -3.9326
588 R A -3.5528
589 A A -1.7628
590 E A -1.3698
591 V A 0.7428
592 S A -0.2345
593 P A -0.8976
594 K A -1.7472
595 G A -0.7278
596 L A 0.3180
597 Q A -0.6648
598 T A -0.1827
599 P A -0.1044
600 V A 0.3514
601 K A -1.8245
602 D A -2.4044
603 A A -1.5195
604 G A -1.1592
605 G A -0.9592
606 G A -0.9321
607 T A -1.2398
608 G A -1.8858
609 R A -3.2864
610 E A -3.3633
611 A A -2.2742
612 E A -2.7694
613 A A -2.1499
614 R A -3.1046
615 E A -2.3584
616 L A -0.4060
617 R A -1.1186
618 F A 0.5436
619 R A -0.6277
620 L A 0.5724
621 G A 0.0864
622 T A -0.6189
623 S A -1.0665
624 D A -1.9435
625 A A -0.9954
626 T A -0.6936
627 G A -0.4630
628 S A 0.0568
629 L A 0.6716
630 Q A -1.1041
631 G A -1.5433
632 D A -2.1755
633 S A -1.0525
634 M A 0.2486
635 T A -0.3742
636 E A -1.7518
637 T A -0.4905
638 V A 1.0861
639 A A 0.2053
640 E A -1.0864
641 N A -0.3076
642 I A 2.1671
643 V A 1.7481
644 T A 0.8029
645 S A 0.5941
646 I A 2.0153
647 L A 1.8849
648 K A -0.6845
649 Q A -0.4470
650 F A 1.2742
651 T A -0.1922
652 Q A -1.4909
653 S A -1.4347
654 P A -1.5269
655 E A -2.3729
656 T A -1.9010
657 E A -2.2101
658 A A -0.9481
659 S A -0.8892
660 A A -0.9550
661 D A -1.5354
662 S A -0.2166
663 F A 0.9401
664 P A -0.6688
665 D A -1.7932
666 T A -1.0174
667 K A -1.4564
668 V A 0.9059
669 T A 0.7077
670 Y A 1.0071
671 V A 1.6879
672 D A -1.0093
673 R A -2.7731
674 K A -3.5807
675 E A -3.2473
676 L A -1.8849
677 P A -1.8738
678 G A -2.4713
679 E A -3.1666
680 R A -3.7554
681 K A -3.3991
682 T A -2.5144
683 K A -2.3460
684 T A 0.0000
685 E A -2.0233
686 I A -0.5422
687 V A 1.1127
688 V A 2.0553
689 E A 0.2374
690 S A -0.3655
691 K A -1.2836
692 L A -0.1455
693 T A -0.9639
694 E A -2.3152
695 D A -1.9254
696 V A 0.0606
697 D A -1.1205
698 V A 0.3821
699 S A -0.9636
700 D A -2.4574
701 E A -2.4230
702 A A -1.1325
703 G A -0.1144
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1491 R A -2.4549
1492 D A -2.8532
1493 A A -2.3395
1494 D A -2.9322
1495 S A -2.2717
1496 R A -3.3247
1497 N A -3.4470
1498 D A -3.4433
1499 Q A -1.9252
1500 A A -0.2335
1501 V A 1.6786
1502 G A 1.3363
1503 V A 2.1988
1504 S A 1.1876
1505 F A 1.3639
1506 K A -0.8037
1507 A A -0.5324
1508 S A -0.5908
1509 A A -0.6845
1510 G A -1.5676
1511 E A -2.6352
1512 G A -2.5504
1513 D A -3.0048
1514 Q A -2.6318
1515 A A -1.8002
1516 H A -2.7857
1517 R A -3.8844
1518 E A -4.0522
1519 Q A -3.7322
1520 G A -3.1644
1521 K A -3.1021
1522 E A -2.7330
1523 Q A -2.6165
1524 A A -1.7971
1525 M A -1.2901
1526 F A -0.8508
1527 D A -2.5612
1528 K A -2.7020
1529 K A -2.1007
1530 V A -1.6591
1531 Q A -1.9934
1532 L A -0.5517
1533 Q A -2.0131
1534 R A -2.2067
1535 M A -0.5494
1536 V A -0.3320
1537 D A -2.4826
1538 Q A -2.6848
1539 R A -1.7941
1540 S A -0.2170
1541 V A 2.0066
1542 I A 2.0961
1543 S A -0.0995
1544 D A -2.9099
1545 E A -3.7521
1546 K A -3.2994
1547 K A -2.1025
1548 V A 0.8774
1549 A A 1.5825
1550 L A 3.1446
1551 L A 3.4061
1552 Y A 2.7129
1553 L A 1.4125
1554 D A -1.9126
1555 N A -2.9373
1556 E A -4.0114
1557 E A -4.4499
1558 E A -4.2487
1559 E A -4.2081
1560 N A -3.6621
1561 D A -3.2374
1562 G A -1.8362
1563 H A -0.4585
1564 W A 1.4592
1565 F A 2.3006
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Laboratory of Theory of Biopolymers 2018