Project name: LACS7

Status: done

Started: 2026-04-14 23:38:06
Settings
Chain sequence(s) A: MEFASPEQRRLETIRSHIDTSPTNDQSSSLFLNATASSASPFFKEDSYSVVLPEKLDTGKWNVYRSKRSPTKLVSRFPDHPEIGTLHDNFVHAVETYAENKYLGTRVRSDGTIGEYSWMTYGEAASERQAIGSGLLFHGVNQGDCVGLYFINRPEWLVVDHACAAYSFVSVPLYDTLGPDAVKFVVNHANLQAIFCVPQTLNILLSFLAEIPSIRLIVVVGGADEHLPSLPRGTGVTIVSYQKLLSQGRSSLHPFSPPKPEDIATICYTSGTTGTPKGVVLTHGNLIANVAGSSVEAEFFPSDVYISYLPLAHIYERANQIMGVYGGVAVGFYQGDVFKLMDDFAVLRPTIFCSVPRLYNRIYDGITSAVKSSGVVKKRLFEIAYNSKKQAIINGRTPSAFWDKLVFNKIKEKLGGRVRFMGSGASPLSPDVMDFLRICFGCSVREGYGMTETSCVISAMDDGDNLSGHVGSPNPACEVKLVDVPEMNYTSDDQPYPRGEICVRGPIIFKGYYKDEEQTREILDGDGWLHTGDIGLWLPGGRLKIIDRKKNIFKLAQGEYIAPEKIENVYTKCRFVSQCFIHGDSFNSSLVAIVSVDPEVMKDWAASEGIKYEHLGQLCNDPRVRKTVLAEMDDLGREAQLRGFEFAKAVTLVPEPFTLENGLLTPTFKIKRPQAKAYFAEAISKMYAEIAASNPIPSKL
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                                          (00:10:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:31)
Show buried residues

Minimal score value
-4.1955
Maximal score value
2.9181
Average score
-0.7559
Total score value
-529.1084

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 0.7006
2 E A -0.3656
3 F A 1.0573
4 A A -0.6026
5 S A -1.2099
6 P A -1.9784
7 E A -3.1202
8 Q A -2.8239
9 R A -2.5907
10 R A -2.5072
11 L A -2.7772
12 E A -3.4002
13 T A -2.2683
14 I A 0.0000
15 R A -3.1010
16 S A -2.2761
17 H A -1.7632
18 I A -1.4156
19 D A -2.3065
20 T A -1.3626
21 S A -1.2465
22 P A -1.2628
23 T A -1.7000
24 N A -2.5942
25 D A -3.1760
26 Q A -2.4347
27 S A -1.3645
28 S A 0.0056
29 S A 0.5291
30 L A 2.2573
31 F A 2.9181
32 L A 2.1228
33 N A 0.3002
34 A A 0.4190
35 T A 0.0919
36 A A -0.1709
37 S A -0.5372
38 S A -0.4766
39 A A 0.3961
40 S A 0.5724
41 P A 0.6901
42 F A 1.6247
43 F A 1.1449
44 K A -1.8275
45 E A -2.8845
46 D A -2.8330
47 S A -1.4087
48 Y A -1.2833
49 S A 0.0000
50 V A -0.2376
51 V A 0.0000
52 L A 0.0000
53 P A 0.0000
54 E A -1.2423
55 K A -2.0574
56 L A -1.5057
57 D A -2.2434
58 T A -1.7407
59 G A -1.7666
60 K A -2.1158
61 W A -0.5478
62 N A -0.6247
63 V A 0.0000
64 Y A 0.0000
65 R A 0.0000
66 S A 0.0000
67 K A -2.5594
68 R A -2.7605
69 S A -1.7873
70 P A -1.5394
71 T A -1.6013
72 K A -1.6959
73 L A -0.7514
74 V A -0.5348
75 S A -0.5110
76 R A -1.3738
77 F A 0.0000
78 P A -1.6188
79 D A -2.4801
80 H A -2.2144
81 P A -2.0718
82 E A -2.5445
83 I A 0.0000
84 G A 0.0000
85 T A 0.0000
86 L A 0.0000
87 H A 0.0000
88 D A -0.7869
89 N A 0.0000
90 F A 0.0000
91 V A -0.2053
92 H A -0.8493
93 A A 0.0000
94 V A -1.0183
95 E A -1.8242
96 T A -1.0219
97 Y A -1.0757
98 A A -1.7501
99 E A -2.6412
100 N A -1.9610
101 K A -1.9329
102 Y A 0.0000
103 L A 0.0000
104 G A 0.0000
105 T A -0.3909
106 R A -0.6932
107 V A -0.7134
108 R A -2.4302
109 S A -1.9647
110 D A -2.5264
111 G A -1.6954
112 T A -0.8417
113 I A -0.1332
114 G A -0.8716
115 E A -1.7664
116 Y A -0.7819
117 S A -0.7857
118 W A -0.4902
119 M A -0.8469
120 T A -1.5905
121 Y A 0.0000
122 G A -1.7256
123 E A -2.0786
124 A A 0.0000
125 A A -0.6743
126 S A -1.0828
127 E A -1.1786
128 R A 0.0000
129 Q A -0.5040
130 A A 0.0000
131 I A 0.0000
132 G A 0.0000
133 S A 0.0000
134 G A 0.0000
135 L A 0.0000
136 L A 0.6298
137 F A 1.7584
138 H A 0.4399
139 G A -0.1718
140 V A 0.0000
141 N A -1.7394
142 Q A -1.8368
143 G A -1.3713
144 D A -1.5279
145 C A 0.0000
146 V A 0.0000
147 G A 0.0000
148 L A 0.0000
149 Y A 0.0000
150 F A 0.0000
151 I A 0.0804
152 N A 0.0000
153 R A -0.2677
154 P A -0.2234
155 E A -0.4642
156 W A 0.0000
157 L A 0.0000
158 V A 0.0000
159 V A 0.0000
160 D A -0.2675
161 H A -0.2400
162 A A 0.0000
163 C A 0.0000
164 A A 0.0000
165 A A 0.0000
166 Y A 0.0000
167 S A -0.9545
168 F A 0.0000
169 V A 0.0000
170 S A 0.0000
171 V A 0.0000
172 P A 0.0000
173 L A 0.0000
174 Y A -0.4162
175 D A -1.2993
176 T A -0.7695
177 L A -0.5902
178 G A -1.0995
179 P A -1.0255
180 D A -1.8864
181 A A -0.9057
182 V A 0.0000
183 K A -1.3053
184 F A -0.7025
185 V A 0.0000
186 V A 0.0000
187 N A -1.3588
188 H A -1.0021
189 A A 0.0000
190 N A -1.5766
191 L A 0.0000
192 Q A -1.0670
193 A A 0.0000
194 I A 0.0000
195 F A 0.0000
196 C A 0.0000
197 V A -0.6455
198 P A -1.0233
199 Q A -1.6152
200 T A 0.0000
201 L A 0.0000
202 N A -1.2613
203 I A -0.2960
204 L A 0.0000
205 L A -0.0907
206 S A -0.3586
207 F A 0.0000
208 L A -0.4448
209 A A -0.7863
210 E A -1.8943
211 I A 0.0000
212 P A -1.1519
213 S A -1.0992
214 I A 0.0000
215 R A -0.8177
216 L A 0.0000
217 I A 0.0000
218 V A 0.0000
219 V A 0.0000
220 V A 0.0000
221 G A -1.3174
222 G A -1.2009
223 A A -1.6064
224 D A -2.1646
225 E A -2.5997
226 H A -2.0571
227 L A -1.0857
228 P A -0.7328
229 S A -0.7491
230 L A -0.4717
231 P A -1.2621
232 R A -2.2310
233 G A -1.5201
234 T A -1.0466
235 G A -1.0753
236 V A -0.5679
237 T A -0.1004
238 I A 0.1335
239 V A 0.0000
240 S A 0.0000
241 Y A 0.0000
242 Q A -1.7449
243 K A -1.6995
244 L A 0.0000
245 L A -1.2885
246 S A -1.5156
247 Q A -0.7878
248 G A 0.0000
249 R A -1.9463
250 S A -1.0273
251 S A -0.1575
252 L A 0.4496
253 H A -0.3348
254 P A -0.2135
255 F A 0.2029
256 S A -0.4343
257 P A -0.7036
258 P A 0.0000
259 K A -2.5110
260 P A -1.9390
261 E A -2.7701
262 D A -2.0144
263 I A -0.6990
264 A A 0.0000
265 T A 0.0000
266 I A 0.0000
267 C A 0.0000
268 Y A 0.0000
269 T A -0.3507
270 S A -0.5996
271 G A -0.5558
272 T A -0.7728
273 T A -0.4887
274 G A -0.7739
275 T A -0.4024
276 P A -0.4197
277 K A -0.7606
278 G A 0.0000
279 V A 0.0000
280 V A 0.0000
281 L A 0.0000
282 T A 0.0000
283 H A 0.0000
284 G A -1.0519
285 N A -0.7485
286 L A 0.0000
287 I A 0.0000
288 A A 0.0000
289 N A 0.0000
290 V A 0.0000
291 A A 0.0000
292 G A 0.0000
293 S A -0.2877
294 S A -0.5842
295 V A -0.8184
296 E A -1.3568
297 A A -1.3215
298 E A -1.5695
299 F A 0.0000
300 F A 0.5082
301 P A 0.0930
302 S A -0.0728
303 D A 0.0000
304 V A -0.3908
305 Y A 0.0000
306 I A 0.0000
307 S A 0.0000
308 Y A 0.1445
309 L A 0.0000
310 P A -0.0970
311 L A 0.0000
312 A A 0.0000
313 H A -0.0912
314 I A 0.0000
315 Y A 0.0764
316 E A 0.0000
317 R A 0.0000
318 A A 0.0000
319 N A -0.0787
320 Q A 0.0000
321 I A 0.0000
322 M A 0.0000
323 G A 0.0000
324 V A 0.0000
325 Y A 0.0649
326 G A 0.0000
327 G A 0.0000
328 V A 0.0000
329 A A 0.0000
330 V A 0.0000
331 G A 0.0000
332 F A 0.0000
333 Y A -0.2404
334 Q A -0.3897
335 G A -0.2416
336 D A -0.2953
337 V A 0.6472
338 F A 1.1854
339 K A -0.8406
340 L A 0.0000
341 M A -0.4804
342 D A -1.5052
343 D A 0.0000
344 F A 0.0000
345 A A -1.3541
346 V A -0.9158
347 L A 0.0000
348 R A -2.7475
349 P A 0.0000
350 T A -1.1243
351 I A 0.0000
352 F A 0.0000
353 C A 0.0000
354 S A 0.0000
355 V A 0.0000
356 P A 0.0000
357 R A -1.4384
358 L A -1.0590
359 Y A 0.0000
360 N A -2.1159
361 R A -2.7725
362 I A 0.0000
363 Y A -1.5218
364 D A -2.5548
365 G A -1.5200
366 I A 0.0000
367 T A -1.2994
368 S A -1.2410
369 A A -0.9226
370 V A -1.6334
371 K A -2.1178
372 S A -1.1398
373 S A -0.8885
374 G A -0.2260
375 V A 1.0658
376 V A 0.8926
377 K A -1.3946
378 K A -1.6922
379 R A -1.7495
380 L A -0.4145
381 F A 0.0000
382 E A -1.6695
383 I A -0.2942
384 A A 0.0000
385 Y A -0.7581
386 N A -1.0909
387 S A -0.7389
388 K A 0.0000
389 K A -1.1617
390 Q A -1.5451
391 A A -1.3630
392 I A -0.8563
393 I A 0.4021
394 N A -1.4051
395 G A -1.6349
396 R A -2.2907
397 T A -1.1218
398 P A -0.8977
399 S A -0.1391
400 A A 0.1043
401 F A 1.0577
402 W A 0.4012
403 D A -1.2024
404 K A -1.5986
405 L A -0.3382
406 V A -0.7026
407 F A 0.0000
408 N A -2.7985
409 K A -2.9936
410 I A -1.8400
411 K A -2.5933
412 E A -3.6691
413 K A -2.5951
414 L A 0.0000
415 G A -2.8235
416 G A -3.0207
417 R A -2.9572
418 V A 0.0000
419 R A -1.2315
420 F A -0.6911
421 M A 0.0000
422 G A 0.0000
423 S A 0.0000
424 G A 0.0000
425 A A -0.0485
426 S A -0.3650
427 P A -0.5659
428 L A 0.0000
429 S A -1.1639
430 P A -1.1324
431 D A -2.2494
432 V A 0.0000
433 M A 0.0000
434 D A -1.6613
435 F A 0.0000
436 L A 0.0000
437 R A -0.9948
438 I A 0.0000
439 C A 0.0000
440 F A 0.0000
441 G A -0.9083
442 C A -0.7529
443 S A -0.8745
444 V A 0.0000
445 R A -0.7063
446 E A 0.0000
447 G A -0.0704
448 Y A 0.0297
449 G A 0.0254
450 M A 0.1539
451 T A 0.0769
452 E A 0.0000
453 T A 0.0000
454 S A 0.0000
455 C A 0.0000
456 V A 0.2254
457 I A 0.0000
458 S A 0.0000
459 A A -0.3117
460 M A 0.0000
461 D A 0.0000
462 D A -2.3057
463 G A -1.6497
464 D A 0.0000
465 N A -0.9978
466 L A 0.4167
467 S A -0.4334
468 G A -0.3841
469 H A 0.0000
470 V A 0.0000
471 G A 0.0000
472 S A 0.0000
473 P A 0.0000
474 N A 0.0000
475 P A 0.0000
476 A A 0.0000
477 C A 0.0000
478 E A 0.0000
479 V A 0.0000
480 K A -0.3976
481 L A 0.0000
482 V A -0.4882
483 D A -2.1584
484 V A 0.0000
485 P A -1.9574
486 E A -2.4238
487 M A -1.8411
488 N A -2.2166
489 Y A 0.0000
490 T A -2.0925
491 S A -1.7014
492 D A -2.5221
493 D A -2.1582
494 Q A -1.8556
495 P A -1.1164
496 Y A -0.7021
497 P A -1.2205
498 R A -1.3909
499 G A 0.0000
500 E A 0.0000
501 I A 0.0000
502 C A 0.0000
503 V A 0.0000
504 R A -0.5129
505 G A -0.1640
506 P A -0.3168
507 I A 0.0000
508 I A -0.3089
509 F A 0.0000
510 K A -1.7795
511 G A 0.0000
512 Y A -1.6551
513 Y A -1.2601
514 K A -2.4658
515 D A -2.8110
516 E A -4.0223
517 E A -4.1678
518 Q A -3.1240
519 T A -3.2403
520 R A -3.9880
521 E A -3.4901
522 I A -1.6304
523 L A -1.6704
524 D A -2.0529
525 G A -1.6885
526 D A -1.7881
527 G A -1.1322
528 W A 0.0000
529 L A 0.0000
530 H A -0.4695
531 T A 0.0000
532 G A 0.0000
533 D A 0.0000
534 I A 0.0000
535 G A 0.0000
536 L A -0.1291
537 W A 0.0000
538 L A 0.1903
539 P A 0.4244
540 G A -0.1586
541 G A 0.0000
542 R A -0.1945
543 L A 0.0000
544 K A -0.4112
545 I A -0.0900
546 I A -0.2139
547 D A 0.0000
548 R A -1.5576
549 K A -1.5758
550 K A -2.2041
551 N A -1.4970
552 I A 0.0000
553 F A -0.7388
554 K A -1.1444
555 L A 0.0000
556 A A -0.4958
557 Q A -1.3083
558 G A -1.4121
559 E A -1.4065
560 Y A -0.9139
561 I A 0.0000
562 A A 0.0000
563 P A 0.0000
564 E A -1.3067
565 K A -1.3693
566 I A 0.0000
567 E A 0.0000
568 N A -1.3565
569 V A -1.3677
570 Y A 0.0000
571 T A -1.2317
572 K A -2.1181
573 C A 0.0000
574 R A -2.4180
575 F A 0.0000
576 V A 0.0000
577 S A -1.1646
578 Q A -0.7851
579 C A 0.0000
580 F A 0.0000
581 I A 0.0000
582 H A 0.0000
583 G A 0.0000
584 D A -0.0810
585 S A -0.0679
586 F A 1.3387
587 N A 0.2016
588 S A -0.6251
589 S A 0.0000
590 L A 0.0000
591 V A 0.0000
592 A A 0.0000
593 I A 0.0000
594 V A 0.0000
595 S A 0.0000
596 V A 0.0000
597 D A -1.6789
598 P A -1.9671
599 E A -2.7934
600 V A -2.1132
601 M A 0.0000
602 K A -3.2283
603 D A -3.2417
604 W A 0.0000
605 A A 0.0000
606 A A -1.9921
607 S A -1.8458
608 E A -2.5163
609 G A -1.8604
610 I A -1.7553
611 K A -2.5204
612 Y A -2.0431
613 E A -2.6259
614 H A -2.2944
615 L A -1.7315
616 G A -1.4508
617 Q A -2.0605
618 L A 0.0000
619 C A 0.0000
620 N A -2.0124
621 D A -2.0367
622 P A -2.1682
623 R A -2.8659
624 V A 0.0000
625 R A -2.0637
626 K A -2.5638
627 T A -1.5375
628 V A 0.0000
629 L A -1.3559
630 A A -1.2102
631 E A -1.9336
632 M A 0.0000
633 D A -2.4008
634 D A -3.3187
635 L A -2.5301
636 G A 0.0000
637 R A -4.1955
638 E A -3.5238
639 A A -2.4618
640 Q A -3.0964
641 L A 0.0000
642 R A -2.4866
643 G A -1.4921
644 F A -0.8268
645 E A 0.0000
646 F A -0.9390
647 A A 0.0000
648 K A -1.6522
649 A A 0.0000
650 V A 0.0000
651 T A -0.4509
652 L A 0.0000
653 V A -0.7581
654 P A -1.3116
655 E A -2.0152
656 P A -1.2649
657 F A 0.0000
658 T A -0.8703
659 L A -0.7354
660 E A -1.9471
661 N A -1.4509
662 G A -0.8251
663 L A 0.0000
664 L A 0.0000
665 T A -0.2761
666 P A -0.0707
667 T A -0.0538
668 F A 0.0815
669 K A -0.5125
670 I A -0.3243
671 K A -0.9300
672 R A -0.8594
673 P A -0.9106
674 Q A -0.8777
675 A A 0.0000
676 K A -1.0012
677 A A -0.3018
678 Y A 0.3840
679 F A 0.0000
680 A A -1.0774
681 E A -2.2241
682 A A -1.4284
683 I A 0.0000
684 S A -1.6740
685 K A -2.3415
686 M A 0.0000
687 Y A -0.8366
688 A A -0.7484
689 E A -1.2885
690 I A -0.9693
691 A A -0.3681
692 A A -0.3368
693 S A -0.6774
694 N A -0.9878
695 P A 0.0127
696 I A 1.1146
697 P A 0.0766
698 S A -0.2195
699 K A -0.8231
700 L A 0.6223
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Laboratory of Theory of Biopolymers 2018