Project name: gac 5a

Status: done

Started: 2026-04-28 21:37:35
Settings
Chain sequence(s) A: MAIGKVKRNPDAGVATAVQSVIQHQTFKRMLLFGLRSLADFCSPSNQLYQENALDALDRGVLSAIQTAVTTFSDDDDLMLCASRVLWAMSVAIKEEMDPAHIARVHSEGSPVIVAVVNSSPTDPQTIEDSMNFVDNLKRAGAPVDGASLAGGMLSIFTKTALDMKTAKRVTAALAIAAETAEGSTALYNAGGTSVLLTYCLDQGDLSDAGVEMVEGAFDTVRYMAGYQCTDATTLPQCIALMDKYRGRKSASAKGSSALAAMIGPEQLQKCLNTLKTAEAGSAEYDEALVTLGSMSYISSFTDEIVRAGGVPLLIELINSGLPQMEGNPEKIASMISGAAKMLARIASNPVNVDAIVQAGGVATLCTAVSYCTESMEALGALCMALVPLASRESLAHEIVQYQTFATVLPILYQNVESPEIAALAMELVATGSQHEEIQEHMLQNQAAEICSLCCQYHTADASYQQHAISALNRLVPRLTTLHGVSEYGGIQGVIASLNANVNNEQVALLAVQLLDNFSEVSDAKTYMSDGTCVDAVLAAMLEHEGNDLLISAGVHCLARIATEDDCARHLNVLDTAIQTARGNPDGVYRVLAAISGLSRVPSLRQIFEEKNASDTILAGISSWIECSRFEGQNRIIKAALKTVKNMKISGDGDLTSCFAAMCDVACLPQVKRVVELEEPDNNILVADTAAFRDLAATMRITGAENLERCIESVLRVMRKYPDSRRAQLNCLETLNYLAQCDGGEGVAILSRTGGLNAVVQYLTRAPMYLDAQIAGFTVLATSAKIDSNVGETLRKCNCLQALKVAMRTHAKSKELKRTIAPLVALLMPT
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]                                                (00:00:08)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:08)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:08)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:08)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:08)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:09:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:04)
Show buried residues

Minimal score value
-4.3906
Maximal score value
1.9065
Average score
-0.7991
Total score value
-663.2511

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 1.5356
2 A A 1.1756
3 I A 1.9065
4 G A -0.0500
5 K A -1.2808
6 V A -0.1096
7 K A -2.1573
8 R A -2.2206
9 N A -2.0834
10 P A -1.4934
11 D A -0.9566
12 A A -0.5295
13 G A -0.2735
14 V A 0.0000
15 A A -0.7455
16 T A -0.5391
17 A A 0.0000
18 V A 0.0000
19 Q A -1.5592
20 S A -0.5413
21 V A 0.0000
22 I A -0.6230
23 Q A -1.1611
24 H A -0.6077
25 Q A -0.5669
26 T A -0.2197
27 F A 0.0032
28 K A -1.0649
29 R A -1.3707
30 M A -0.2174
31 L A 0.0000
32 L A -0.1633
33 F A 0.9800
34 G A 0.0000
35 L A 0.0000
36 R A -1.2948
37 S A -0.8003
38 L A 0.0000
39 A A 0.0000
40 D A -2.1412
41 F A -1.0739
42 C A 0.0000
43 S A -0.9649
44 P A -0.9000
45 S A -0.9143
46 N A -1.1997
47 Q A -1.2786
48 L A -0.9739
49 Y A -0.6649
50 Q A -0.6882
51 E A 0.0000
52 N A 0.0000
53 A A 0.0000
54 L A 0.0000
55 D A -1.5305
56 A A 0.0000
57 L A 0.0000
58 D A -2.7300
59 R A -2.4124
60 G A -1.7228
61 V A 0.0000
62 L A 0.0000
63 S A -0.4498
64 A A 0.0000
65 I A 0.0000
66 Q A -0.5853
67 T A -0.2331
68 A A 0.0000
69 V A 0.0000
70 T A -0.3888
71 T A -0.3971
72 F A -0.8238
73 S A -1.4141
74 D A -2.4469
75 D A -2.1728
76 D A -2.6737
77 D A -1.9197
78 L A 0.0000
79 M A 0.0000
80 L A -0.8490
81 C A 0.0000
82 A A 0.0000
83 S A 0.0000
84 R A -0.6152
85 V A 0.0000
86 L A 0.0000
87 W A -0.0818
88 A A 0.0000
89 M A 0.0000
90 S A 0.0000
91 V A -0.8074
92 A A 0.0000
93 I A 0.0000
94 K A -2.2906
95 E A -2.4880
96 E A -2.1787
97 M A -1.2055
98 D A -1.1205
99 P A -0.6837
100 A A -0.5186
101 H A -1.1368
102 I A -0.7327
103 A A -0.9151
104 R A -1.7484
105 V A 0.0000
106 H A -1.2074
107 S A -1.1089
108 E A -1.4231
109 G A 0.0000
110 S A 0.0000
111 P A -0.6194
112 V A 0.0000
113 I A 0.0000
114 V A -0.3711
115 A A -0.3837
116 V A 0.0000
117 V A 0.0000
118 N A -1.1274
119 S A -1.2052
120 S A -1.2686
121 P A -1.3457
122 T A -1.1007
123 D A -1.2265
124 P A -1.0675
125 Q A -0.8350
126 T A 0.0000
127 I A 0.0000
128 E A -1.1209
129 D A 0.0000
130 S A 0.0000
131 M A 0.0000
132 N A -1.0837
133 F A 0.0000
134 V A 0.0000
135 D A -2.2011
136 N A 0.0000
137 L A 0.0000
138 K A -2.2914
139 R A -2.7452
140 A A 0.0000
141 G A -1.3659
142 A A -1.2454
143 P A -1.5127
144 V A 0.0000
145 D A -1.9422
146 G A 0.0000
147 A A -1.1287
148 S A -0.9688
149 L A 0.0000
150 A A 0.0000
151 G A -0.6984
152 G A 0.0000
153 M A 0.0000
154 L A 0.0000
155 S A -0.7079
156 I A 0.0000
157 F A 0.0000
158 T A -0.8281
159 K A -1.7604
160 T A -1.0417
161 A A -0.6585
162 L A 0.0000
163 D A -1.5190
164 M A -1.9888
165 K A -2.6826
166 T A 0.0000
167 A A 0.0000
168 K A -2.0649
169 R A -1.6875
170 V A 0.0000
171 T A 0.0000
172 A A -0.8649
173 A A 0.0000
174 L A 0.0000
175 A A 0.0000
176 I A -0.5519
177 A A 0.0000
178 A A 0.0000
179 E A -0.9273
180 T A -1.0486
181 A A -1.0080
182 E A -2.0169
183 G A 0.0000
184 S A 0.0000
185 T A -0.8282
186 A A -0.8429
187 L A 0.0000
188 Y A -0.5817
189 N A -1.0956
190 A A -0.5498
191 G A -0.4186
192 G A 0.0000
193 T A 0.0000
194 S A -0.0268
195 V A 0.3094
196 L A 0.0000
197 L A 0.0000
198 T A -0.5154
199 Y A 0.0000
200 C A 0.0000
201 L A -1.0971
202 D A -2.2916
203 Q A -2.1645
204 G A 0.0000
205 D A -1.2012
206 L A -0.1747
207 S A -1.1025
208 D A -2.5032
209 A A -2.2789
210 G A 0.0000
211 V A 0.0000
212 E A -2.7076
213 M A 0.0000
214 V A 0.0000
215 E A -1.3077
216 G A -1.0581
217 A A 0.0000
218 F A 0.0000
219 D A -0.7890
220 T A 0.0000
221 V A 0.0000
222 R A -1.0770
223 Y A -0.5611
224 M A 0.0000
225 A A 0.0000
226 G A -0.6379
227 Y A -0.3977
228 Q A -1.0484
229 C A 0.0000
230 T A -0.5777
231 D A -0.8086
232 A A -0.3288
233 T A -0.3039
234 T A 0.0000
235 L A 0.1465
236 P A -0.0384
237 Q A -0.1371
238 C A 0.0000
239 I A 0.0246
240 A A -0.3955
241 L A 0.0000
242 M A 0.0000
243 D A -1.6692
244 K A -1.3852
245 Y A 0.0000
246 R A -3.1018
247 G A -2.2916
248 R A -2.7133
249 K A -2.7432
250 S A -1.9006
251 A A 0.0000
252 S A -1.8261
253 A A -1.1417
254 K A -1.0816
255 G A 0.0000
256 S A 0.0000
257 S A -0.5125
258 A A 0.0000
259 L A 0.0000
260 A A -0.3073
261 A A -0.3389
262 M A -0.2357
263 I A 0.0000
264 G A -1.0560
265 P A -2.0713
266 E A -3.0994
267 Q A -2.6269
268 L A 0.0000
269 Q A -3.2647
270 K A -3.4903
271 C A 0.0000
272 L A 0.0000
273 N A -2.5133
274 T A -2.4654
275 L A 0.0000
276 K A -2.4468
277 T A -1.5216
278 A A -1.9630
279 E A -2.4688
280 A A -1.5644
281 G A -1.5469
282 S A -1.6869
283 A A -1.7602
284 E A -2.8236
285 Y A -2.0143
286 D A -1.6889
287 E A -2.0113
288 A A 0.0000
289 L A 0.0071
290 V A 1.0931
291 T A 0.2916
292 L A 0.0000
293 G A 0.3021
294 S A 0.0000
295 M A 0.0000
296 S A 0.0000
297 Y A 0.0000
298 I A 0.0000
299 S A -0.7725
300 S A -0.7503
301 F A 0.0000
302 T A 0.0000
303 D A -1.6123
304 E A -2.3571
305 I A 0.0000
306 V A -1.2810
307 R A -2.3667
308 A A -1.5062
309 G A -0.8722
310 G A 0.0000
311 V A 0.0000
312 P A -0.7138
313 L A -0.9759
314 L A 0.0000
315 I A 0.0000
316 E A -2.1810
317 L A 0.0000
318 I A 0.0000
319 N A -1.7140
320 S A -1.3470
321 G A 0.0000
322 L A 0.0000
323 P A -1.2151
324 Q A -2.2506
325 M A 0.0000
326 E A -2.8374
327 G A -2.5407
328 N A -2.8874
329 P A -2.7689
330 E A -3.0488
331 K A -2.2615
332 I A 0.0000
333 A A 0.0000
334 S A -1.0211
335 M A -0.2605
336 I A 0.0000
337 S A -0.7636
338 G A -0.1393
339 A A 0.0000
340 A A 0.0000
341 K A -0.8711
342 M A 0.0000
343 L A 0.0000
344 A A -0.5378
345 R A -1.0420
346 I A 0.0000
347 A A 0.0000
348 S A -0.4541
349 N A -0.3067
350 P A 0.0532
351 V A 0.9847
352 N A 0.0000
353 V A 0.0000
354 D A -1.5504
355 A A -1.0291
356 I A 0.0000
357 V A -0.7886
358 Q A -1.5292
359 A A -1.0481
360 G A -0.6503
361 G A 0.0000
362 V A 0.0000
363 A A -0.2173
364 T A 0.0000
365 L A 0.0000
366 C A 0.0000
367 T A 0.0328
368 A A 0.0000
369 V A 0.0000
370 S A -0.0281
371 Y A 0.1759
372 C A 0.0000
373 T A -0.8128
374 E A -2.1006
375 S A -1.6585
376 M A -1.4422
377 E A -2.3174
378 A A 0.0000
379 L A 0.0000
380 G A 0.0000
381 A A 0.0000
382 L A 0.0000
383 C A 0.0000
384 M A 0.0858
385 A A 0.0000
386 L A 0.0000
387 V A 0.0898
388 P A -0.2638
389 L A 0.0000
390 A A 0.0000
391 S A -1.0221
392 R A -1.6793
393 E A -2.9135
394 S A -1.6022
395 L A 0.0000
396 A A 0.0000
397 H A -2.0429
398 E A -1.5630
399 I A 0.0000
400 V A -1.3921
401 Q A -1.5665
402 Y A -0.5772
403 Q A -1.0800
404 T A 0.0000
405 F A 0.0000
406 A A -0.5776
407 T A -0.1510
408 V A 0.0000
409 L A 0.0000
410 P A -0.3579
411 I A -0.3627
412 L A 0.0000
413 Y A -0.2264
414 Q A -1.2801
415 N A -1.4138
416 V A 0.0000
417 E A -2.3565
418 S A -1.7781
419 P A -1.7270
420 E A -2.3275
421 I A 0.0000
422 A A 0.0000
423 A A -0.8105
424 L A -0.2203
425 A A 0.0000
426 M A 0.0000
427 E A -0.6112
428 L A 0.0000
429 V A 0.0000
430 A A 0.0000
431 T A -0.5624
432 G A 0.0000
433 S A 0.0000
434 Q A -1.9691
435 H A 0.0000
436 E A -3.2692
437 E A -2.9495
438 I A 0.0000
439 Q A 0.0000
440 E A -2.8963
441 H A 0.0000
442 M A 0.0000
443 L A -1.3904
444 Q A -1.9052
445 N A -1.5624
446 Q A -1.3247
447 A A 0.0000
448 A A 0.0000
449 E A -0.5448
450 I A 0.0000
451 C A 0.0000
452 S A 0.0000
453 L A -0.1026
454 C A 0.0000
455 C A 0.0000
456 Q A -0.9291
457 Y A -0.6492
458 H A -0.8668
459 T A -0.5580
460 A A -0.4172
461 D A -1.0567
462 A A -0.9194
463 S A -0.8694
464 Y A 0.0000
465 Q A 0.0000
466 Q A -0.9855
467 H A -0.6672
468 A A 0.0000
469 I A 0.0000
470 S A -0.5387
471 A A 0.0000
472 L A 0.0000
473 N A -0.7181
474 R A -1.3432
475 L A 0.0000
476 V A 0.0000
477 P A -1.0705
478 R A -1.0486
479 L A -0.5151
480 T A -0.5837
481 T A -0.6639
482 L A 0.0000
483 H A -1.2461
484 G A -1.0870
485 V A 0.0000
486 S A -1.1472
487 E A -1.7049
488 Y A -0.4215
489 G A -0.9385
490 G A 0.0000
491 I A 0.0000
492 Q A -1.2657
493 G A 0.0000
494 V A 0.0000
495 I A 0.0000
496 A A -0.7286
497 S A 0.0000
498 L A 0.0000
499 N A -0.9575
500 A A -0.7382
501 N A 0.0000
502 V A -1.4286
503 N A -2.3581
504 N A -2.2441
505 E A -2.7232
506 Q A -2.0492
507 V A 0.0000
508 A A 0.0000
509 L A -0.4814
510 L A -0.2295
511 A A 0.0000
512 V A 0.0000
513 Q A -0.2412
514 L A 0.0000
515 L A 0.0000
516 D A -1.1392
517 N A -1.3226
518 F A 0.0000
519 S A 0.0000
520 E A -2.4970
521 V A 0.0000
522 S A -1.1593
523 D A -1.3981
524 A A 0.0000
525 K A -2.3498
526 T A -1.2497
527 Y A -1.0205
528 M A 0.0000
529 S A -1.6718
530 D A -2.2600
531 G A -1.5241
532 T A -0.9226
533 C A 0.0000
534 V A 0.0000
535 D A -0.7824
536 A A 0.0000
537 V A 0.0000
538 L A 0.0000
539 A A -0.8204
540 A A 0.0000
541 M A 0.0000
542 L A -1.1027
543 E A -2.2576
544 H A -2.2792
545 E A -2.5891
546 G A -1.8459
547 N A -1.6522
548 D A -1.5852
549 L A 0.3456
550 L A 0.0000
551 I A -0.6445
552 S A -0.3530
553 A A 0.0000
554 G A 0.0000
555 V A -0.5048
556 H A -1.3768
557 C A 0.0000
558 L A 0.0000
559 A A -0.6623
560 R A -1.3172
561 I A 0.0000
562 A A -1.2870
563 T A -1.9765
564 E A -2.9038
565 D A -3.3554
566 D A 0.0000
567 C A 0.0000
568 A A -2.3275
569 R A -2.7440
570 H A 0.0000
571 L A -1.4442
572 N A -1.8655
573 V A -0.6581
574 L A 0.0000
575 D A -2.0356
576 T A -1.1824
577 A A 0.0000
578 I A -1.3005
579 Q A -2.1308
580 T A -1.9065
581 A A 0.0000
582 R A -3.2908
583 G A -2.6135
584 N A -2.9811
585 P A -2.8609
586 D A -3.0181
587 G A -1.7839
588 V A 0.0000
589 Y A -1.5928
590 R A -1.8162
591 V A 0.0000
592 L A 0.0000
593 A A 0.0000
594 A A 0.0000
595 I A 0.0000
596 S A -0.5985
597 G A 0.0000
598 L A 0.0000
599 S A 0.0000
600 R A -1.1102
601 V A 0.0000
602 P A -0.9078
603 S A -1.0393
604 L A 0.0000
605 R A -2.2467
606 Q A -3.0666
607 I A -2.5145
608 F A 0.0000
609 E A -4.3906
610 E A -4.1815
611 K A -4.1320
612 N A -3.8102
613 A A 0.0000
614 S A 0.0000
615 D A -2.2404
616 T A -1.5360
617 I A 0.0000
618 L A 0.0000
619 A A -0.3533
620 G A 0.0000
621 I A 0.0000
622 S A -0.7554
623 S A -0.8750
624 W A 0.0000
625 I A 0.0000
626 E A -2.0508
627 C A -1.3413
628 S A -1.2071
629 R A -1.8395
630 F A -1.7935
631 E A -2.7696
632 G A -2.4045
633 Q A 0.0000
634 N A -1.4292
635 R A -2.1026
636 I A 0.0000
637 I A 0.0000
638 K A -0.9930
639 A A 0.0000
640 A A 0.0000
641 L A 0.0000
642 K A -1.1040
643 T A 0.0000
644 V A 0.0000
645 K A -0.8075
646 N A -0.8281
647 M A 0.0000
648 K A -1.4901
649 I A -0.4733
650 S A -0.9150
651 G A -2.1066
652 D A -2.6171
653 G A -2.4067
654 D A -2.5423
655 L A 0.0000
656 T A 0.0000
657 S A -0.8714
658 C A 0.0000
659 F A 0.0000
660 A A -0.9221
661 A A -0.8762
662 M A 0.0000
663 C A 0.0000
664 D A -1.8565
665 V A 0.0000
666 A A 0.0000
667 C A -1.3998
668 L A -0.9456
669 P A -1.1652
670 Q A -1.5489
671 V A 0.0000
672 K A -2.4620
673 R A -1.9961
674 V A 0.0000
675 V A -1.8115
676 E A -2.1595
677 L A -0.2945
678 E A -1.7318
679 E A -2.7792
680 P A -2.6747
681 D A -2.8502
682 N A -2.6771
683 N A 0.0000
684 I A 0.0000
685 L A 0.0000
686 V A -0.8116
687 A A -0.6067
688 D A 0.0000
689 T A 0.0000
690 A A -0.5077
691 A A 0.0000
692 F A 0.0000
693 R A -0.7672
694 D A -0.5851
695 L A 0.0000
696 A A 0.0000
697 A A -0.1773
698 T A -0.0878
699 M A -0.2115
700 R A -1.1316
701 I A 0.0000
702 T A -1.4771
703 G A -1.3848
704 A A -1.8040
705 E A -2.5216
706 N A -2.0462
707 L A 0.0000
708 E A -2.5041
709 R A -2.4413
710 C A 0.0000
711 I A 0.0000
712 E A -1.8784
713 S A 0.0000
714 V A 0.0000
715 L A 0.0000
716 R A -2.5073
717 V A 0.0000
718 M A 0.0000
719 R A -2.9087
720 K A -2.6197
721 Y A 0.0000
722 P A -2.1639
723 D A -2.8346
724 S A -1.9685
725 R A -2.2038
726 R A -2.2597
727 A A 0.0000
728 Q A 0.0000
729 L A -0.7955
730 N A 0.0000
731 C A 0.0000
732 L A 0.0000
733 E A -0.9205
734 T A 0.0000
735 L A 0.0000
736 N A -0.5195
737 Y A -0.2238
738 L A 0.0000
739 A A 0.0000
740 Q A -0.9870
741 C A 0.0000
742 D A -2.1784
743 G A -1.5038
744 G A -1.4586
745 E A -1.7237
746 G A 0.0000
747 V A 0.0000
748 A A -0.9926
749 I A 0.0000
750 L A 0.0000
751 S A -1.2180
752 R A -2.0439
753 T A -1.3471
754 G A -1.0166
755 G A 0.0000
756 L A 0.0000
757 N A -1.4243
758 A A -0.9427
759 V A 0.0000
760 V A 0.0000
761 Q A -1.9724
762 Y A 0.0000
763 L A 0.0000
764 T A -1.4529
765 R A -2.2329
766 A A 0.0000
767 P A 0.1586
768 M A 1.1325
769 Y A 0.7606
770 L A 0.6626
771 D A -0.3760
772 A A 0.0000
773 Q A 0.0000
774 I A -0.4042
775 A A -0.1468
776 G A 0.0000
777 F A 0.0000
778 T A -0.2771
779 V A 0.0000
780 L A 0.0000
781 A A 0.0000
782 T A -0.5861
783 S A 0.0000
784 A A -1.0245
785 K A -1.6506
786 I A -0.7061
787 D A -1.3992
788 S A -1.5593
789 N A -2.1567
790 V A 0.0000
791 G A 0.0000
792 E A -3.1791
793 T A -2.7525
794 L A 0.0000
795 R A -3.6079
796 K A -3.4039
797 C A -2.5816
798 N A -2.7939
799 C A 0.0000
800 L A -1.0617
801 Q A -1.4558
802 A A 0.0000
803 L A 0.0000
804 K A -0.9975
805 V A -0.3221
806 A A 0.0000
807 M A -1.3036
808 R A -1.9322
809 T A -0.7055
810 H A -1.2283
811 A A -1.8059
812 K A -2.7722
813 S A -2.6254
814 K A -3.8772
815 E A -3.6189
816 L A 0.0000
817 K A -3.5655
818 R A -3.4782
819 T A -1.8648
820 I A 0.0000
821 A A -0.7929
822 P A -0.5598
823 L A 0.0000
824 V A 0.3976
825 A A 0.4546
826 L A 0.1670
827 L A 0.0000
828 M A 0.2881
829 P A -0.0221
830 T A -0.0578
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Laboratory of Theory of Biopolymers 2018