Project name: f1c6d05fdecc324

Status: done

Started: 2026-04-02 12:51:48
Settings
Chain sequence(s) A: MRNLKLFRTLEFRDIQGPGNPQCFSLRTEQGTVLIGSEHGLIEVDPVSREVKNEVSLVAEGFLPEDGSGRIVGVQDLLDQESVCVATASGDVILCSLSTQQLECVGSVASGISVMSWSPDQELVLLATGQQTLIMMTKDFEPILEQQIHQESALPWDDHRPQVTWRGDGQFFAVSVVCPETGARKVRVWNREFALQSTSEPVAGLGPALAWKPSGSLIASTQDKPNQQDIVFFEKNGLLHGHFTLPFLKDEVKVNDLLWNADSSVLAVWLEDLQREESSIPKTCVQLWTVGNYHWYLKQSLSFSTCGKSKIVSLMWDPVTPYRLHVLCQGWHYLAYDWHWTTDRSVGDNSSDLSNVAVIDGNRVLVTVFRQTVVPPPMCTYQLLFPHPVNQVTFLAHPQKSNDLAVLDASNQISVYKCGDCPSADPTVKLGAVGGSGFKVCLRTPHLEKRYKIQFENNEDQDVNPLKLGLLTWIEEDVFLAVSHSEFSPRSVIHHLTAASSEMDEEHGQLNVSSSAAVDGVIISLCCNSKTKSVVLQLADGQIFKYLWESPSLAIKPWKNSGGFPVRFPYPCTQTELAMIGEEECVLGLTDRCRFFINDIEVASNITSFAVYDEFLLLTTHSHTCQCFCLRDASFKTLQAGLSSNHVSHGEVLRKVERGSRIVTVVPQDTKLVLQMPRGNLEVVH
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                                          (00:09:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:09:13)
Show buried residues

Minimal score value
-4.4793
Maximal score value
1.1891
Average score
-0.7355
Total score value
-503.8221

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 -0.3134
2 R A -0.6652
3 N A 0.0000
4 L A 0.0000
5 K A -0.6532
6 L A -0.1371
7 F A -0.0403
8 R A -0.4710
9 T A -0.2668
10 L A 0.3131
11 E A 0.1342
12 F A -0.2686
13 R A -1.6693
14 D A -2.4546
15 I A 0.0000
16 Q A -2.0246
17 G A -1.6075
18 P A -1.1881
19 G A -1.1809
20 N A -1.3928
21 P A 0.0000
22 Q A -0.7252
23 C A -0.2503
24 F A 0.0000
25 S A 0.0000
26 L A 0.0000
27 R A 0.0000
28 T A -1.0396
29 E A -2.3460
30 Q A -2.3266
31 G A -1.3929
32 T A 0.0000
33 V A 0.0000
34 L A 0.0000
35 I A 0.0000
36 G A 0.0000
37 S A 0.0000
38 E A -1.5623
39 H A -1.3294
40 G A 0.0000
41 L A 0.0000
42 I A 0.0000
43 E A 0.0000
44 V A 0.0000
45 D A -0.8964
46 P A 0.0000
47 V A 1.1891
48 S A -0.1172
49 R A -0.9642
50 E A -2.3188
51 V A -2.0387
52 K A -2.6387
53 N A -2.3459
54 E A -2.5236
55 V A 0.0000
56 S A -1.0723
57 L A 0.0000
58 V A -1.1788
59 A A -1.0828
60 E A -1.7160
61 G A -1.2291
62 F A -0.3325
63 L A 0.0000
64 P A -2.0193
65 E A -2.9390
66 D A -2.9619
67 G A -2.2805
68 S A -1.7505
69 G A -1.4436
70 R A -1.4359
71 I A 0.0000
72 V A -0.1106
73 G A -0.1171
74 V A 0.0000
75 Q A -0.1027
76 D A -0.5847
77 L A -0.7137
78 L A -0.4539
79 D A -2.0487
80 Q A -2.1122
81 E A -1.8310
82 S A 0.0000
83 V A 0.0000
84 C A 0.0000
85 V A 0.0000
86 A A 0.0000
87 T A -0.4553
88 A A -0.6539
89 S A -0.5260
90 G A 0.0000
91 D A -0.1194
92 V A 0.0000
93 I A 0.0000
94 L A 0.0654
95 C A 0.0000
96 S A -1.3099
97 L A 0.0000
98 S A -1.5155
99 T A -1.0939
100 Q A -2.2835
101 Q A -2.0853
102 L A -1.3592
103 E A -1.3311
104 C A 0.2593
105 V A -0.0239
106 G A -0.1485
107 S A 0.0077
108 V A 0.1439
109 A A -0.1172
110 S A -0.6704
111 G A -0.6384
112 I A 0.0000
113 S A -0.6196
114 V A 0.0590
115 M A 0.2563
116 S A 0.0516
117 W A 0.0000
118 S A 0.0000
119 P A -1.7587
120 D A -2.3699
121 Q A -1.7929
122 E A -2.6705
123 L A -1.4352
124 V A 0.0000
125 L A 0.0000
126 L A 0.0000
127 A A 0.0000
128 T A 0.0000
129 G A -1.3410
130 Q A -2.0056
131 Q A -1.9393
132 T A -1.7363
133 L A 0.0000
134 I A -0.2203
135 M A 0.0000
136 M A -0.7592
137 T A -1.6643
138 K A -3.0312
139 D A -3.0535
140 F A -1.8582
141 E A -2.2344
142 P A -0.9148
143 I A 0.5139
144 L A 0.2747
145 E A -1.2651
146 Q A -1.4716
147 Q A -2.1082
148 I A 0.0000
149 H A -1.4891
150 Q A -1.4379
186 E A -1.9325
187 S A -1.1513
188 A A -0.7565
189 L A -0.4752
190 P A -0.2917
191 W A -0.3833
192 D A 0.0000
193 D A -2.5377
194 H A -2.3850
195 R A -2.2787
196 P A -1.2499
197 Q A -0.6702
198 V A 0.1250
199 T A -0.0560
200 W A 0.0000
201 R A -1.3014
202 G A -1.8828
203 D A -2.3428
204 G A 0.0000
205 Q A -1.8793
206 F A -1.0433
207 F A 0.0000
208 A A 0.0000
209 V A 0.0000
210 S A 0.0000
211 V A 0.0000
212 V A -0.9163
213 C A 0.0000
214 P A -1.1742
215 E A -2.0038
216 T A -1.4468
217 G A -1.1116
218 A A -0.8775
219 R A 0.0000
220 K A -0.5844
221 V A 0.0000
222 R A 0.0000
223 V A 0.0000
224 W A 0.0000
225 N A -0.9757
226 R A -1.5237
227 E A -1.7177
228 F A -0.6814
229 A A -0.1467
230 L A 0.4044
231 Q A -0.2692
232 S A -0.5019
233 T A -0.6567
234 S A -0.7253
235 E A -0.9046
236 P A -0.7917
237 V A -0.3708
238 A A -0.9595
239 G A -0.8404
240 L A 0.0000
241 G A 0.0000
242 P A -0.8339
243 A A 0.0000
244 L A 0.0000
245 A A -0.0728
246 W A 0.0000
247 K A -0.7586
248 P A -1.1777
249 S A -1.1632
250 G A -0.8590
251 S A -0.6973
252 L A -0.4789
253 I A 0.0000
254 A A 0.0000
255 S A 0.0000
256 T A 0.0000
257 Q A 0.0000
258 D A -1.6130
259 K A -1.7203
260 P A -1.8165
261 N A -2.2085
262 Q A -1.7414
263 Q A 0.0000
264 D A 0.0000
265 I A 0.0000
266 V A 0.0000
267 F A 0.0000
268 F A 0.0000
269 E A -1.0265
270 K A -1.3051
271 N A -1.6097
272 G A -0.9085
273 L A 0.0890
274 L A -0.2089
275 H A -0.8759
276 G A -0.7517
277 H A -1.0977
278 F A 0.0000
279 T A -0.2498
280 L A 0.0000
281 P A 0.1974
282 F A 0.6018
283 L A 0.2946
284 K A -2.3099
285 D A -2.9693
286 E A -2.0376
287 V A 0.0000
288 K A -1.0011
289 V A 0.0000
290 N A -0.6794
291 D A -0.6610
292 L A 0.0000
293 L A 0.2368
294 W A -0.1155
295 N A 0.0000
296 A A -0.7078
297 D A -1.7806
298 S A -1.0826
299 S A -0.5067
300 V A 0.0000
301 L A 0.0000
302 A A 0.0000
303 V A 0.0000
304 W A -0.1295
305 L A 0.0000
306 E A -1.1134
307 D A -1.4984
308 L A -1.9103
309 Q A -2.9343
310 R A -3.8838
311 E A -3.7713
312 E A -3.2645
313 S A -1.6524
314 S A -1.4556
315 I A 0.6687
316 P A -0.5918
317 K A -1.4247
318 T A 0.0000
319 C A -0.4407
320 V A 0.0000
321 Q A 0.0000
322 L A 0.0000
323 W A 0.0000
324 T A 0.0000
325 V A 0.9017
326 G A -0.3752
327 N A -1.0686
328 Y A 0.6853
329 H A 0.0157
330 W A 0.2746
331 Y A 0.0000
332 L A 0.0000
333 K A 0.0000
334 Q A 0.0000
335 S A -0.1113
336 L A 0.0000
337 S A -0.5171
338 F A 0.0000
339 S A -0.8573
340 T A -0.7015
341 C A -0.2314
342 G A -1.2500
343 K A -2.0840
344 S A 0.0000
345 K A -1.3262
346 I A 0.0000
347 V A -0.1275
348 S A 0.0004
349 L A 0.3247
350 M A 0.2711
351 W A 0.0000
352 D A 0.0000
353 P A 0.2892
354 V A 1.1252
355 T A 0.3771
356 P A -0.2883
357 Y A -0.2207
358 R A -0.3570
359 L A 0.0000
360 H A 0.0000
361 V A 0.0000
362 L A 0.0000
363 C A 0.0000
364 Q A -1.2115
365 G A -1.8302
366 W A 0.0000
367 H A 0.0000
368 Y A 0.0000
369 L A 0.0000
370 A A 0.0000
371 Y A 0.0000
372 D A 0.0000
373 W A 0.0000
374 H A -0.4897
375 W A -0.2102
376 T A -0.4588
377 T A -0.5151
378 D A -0.6369
379 R A -0.4784
380 S A 0.0000
381 V A 0.0222
382 G A -1.0984
383 D A -1.6110
384 N A -1.3521
385 S A -1.0035
386 S A -1.0225
387 D A 0.0000
388 L A -0.1735
389 S A 0.0000
390 N A 0.0000
391 V A 0.0000
392 A A 0.0000
393 V A 0.0000
394 I A 0.0000
395 D A -0.5518
396 G A 0.0000
397 N A -1.1241
398 R A -0.9587
399 V A 0.0000
400 L A 0.0000
401 V A 0.0000
402 T A 0.0000
403 V A 0.0263
404 F A 0.0000
405 R A -1.0206
406 Q A -0.8035
407 T A -0.0455
408 V A 0.6242
409 V A 0.0000
410 P A -0.0784
411 P A -0.2148
412 P A -0.1802
413 M A 0.4566
414 C A 0.0000
415 T A 0.0000
416 Y A 0.0000
417 Q A -0.5767
418 L A 0.0000
419 L A -0.4116
420 F A 0.0000
421 P A -0.8260
422 H A -1.3404
423 P A -0.9305
424 V A 0.0000
425 N A 0.0000
426 Q A -0.3218
427 V A 0.0000
428 T A -0.2190
429 F A 0.0000
430 L A 0.0000
431 A A -0.9694
432 H A -1.6808
433 P A -1.6234
434 Q A -2.1420
435 K A -2.2290
436 S A 0.0000
437 N A -0.8392
438 D A -0.8697
439 L A 0.0000
440 A A 0.0000
441 V A 0.0000
442 L A 0.0000
443 D A 0.0000
444 A A -0.6159
445 S A -0.9154
446 N A -1.2618
447 Q A -1.4777
448 I A 0.0000
449 S A 0.0000
450 V A 0.0000
451 Y A 0.0000
452 K A -0.5368
453 C A -0.9265
454 G A -1.2023
455 D A -1.8818
456 C A -0.5926
457 P A -0.8138
458 S A -0.3441
459 A A -0.3583
460 D A -0.6687
461 P A -0.6174
462 T A -0.4759
463 V A -0.6526
464 K A -1.4631
465 L A -0.4734
466 G A -0.2829
467 A A 0.1256
468 V A 0.0000
469 G A -0.3949
470 G A -0.3531
471 S A -0.3860
472 G A -0.1737
473 F A 0.7396
474 K A -0.5521
475 V A 0.1882
476 C A 0.2844
477 L A -0.4373
478 R A -1.7129
479 T A -1.0825
480 P A 0.0000
481 H A -0.6104
482 L A -0.2021
483 E A -0.2804
484 K A 0.0000
485 R A -1.6664
486 Y A -1.8459
487 K A -2.2728
488 I A -1.1243
489 Q A -1.3750
490 F A -1.8243
491 E A -3.1395
492 N A -3.5761
493 N A -3.8159
494 E A -4.4793
495 D A -3.8848
496 Q A -3.5583
497 D A -2.2383
498 V A -1.1845
499 N A -0.6797
500 P A -0.4992
501 L A -0.4485
502 K A -0.8914
503 L A 0.0000
504 G A -0.1908
505 L A 0.1313
506 L A 0.0000
507 T A 0.0567
508 W A 0.0000
509 I A 0.0000
510 E A -1.6877
511 E A -2.5630
512 D A -2.3230
513 V A -1.0992
514 F A 0.0000
515 L A 0.0000
516 A A 0.0000
517 V A 0.0000
518 S A -0.4721
519 H A -0.8699
520 S A -0.5460
521 E A 0.0686
522 F A 1.1836
523 S A -0.2731
524 P A -1.2918
525 R A -2.4714
526 S A 0.0000
527 V A -0.5455
528 I A 0.0000
529 H A 0.0000
530 H A 0.0000
531 L A 0.0000
532 T A -0.7416
533 A A -1.2679
534 A A -0.8258
535 S A -1.7149
536 S A -1.5114
537 E A -2.2562
538 M A -1.6090
539 D A -3.0529
540 E A -3.3927
541 E A -2.6749
542 H A -2.5894
543 G A 0.0000
544 Q A -2.0063
545 L A 0.0000
546 N A -0.8984
547 V A -0.4483
548 S A -0.2449
549 S A -0.1821
550 S A -0.1258
551 A A -0.1026
552 A A -0.8073
553 V A 0.0000
554 D A -2.6284
555 G A -1.7353
556 V A -0.8741
557 I A 0.0000
558 I A 0.0000
559 S A 0.0811
560 L A 0.2503
561 C A 0.1475
562 C A -0.1352
563 N A 0.0000
564 S A -0.9257
565 K A -1.8631
566 T A -1.0503
567 K A -1.0978
568 S A 0.0000
569 V A 0.0000
570 V A 0.0000
571 L A 0.0000
572 Q A 0.0000
573 L A 0.0000
574 A A -0.8509
575 D A -2.0829
576 G A 0.0000
577 Q A -1.5682
578 I A 0.0000
579 F A -0.7182
580 K A -0.7241
581 Y A 0.0000
582 L A -0.5120
583 W A -0.5930
584 E A -1.7683
585 S A -0.8608
586 P A -0.7129
587 S A -0.3808
588 L A -0.2982
589 A A -0.3028
590 I A -0.2337
591 K A -1.5184
592 P A -1.1676
593 W A 0.0000
594 K A -1.5443
595 N A -1.3231
596 S A -0.8994
597 G A -0.5904
598 G A -0.5030
599 F A 0.6301
600 P A -0.6891
601 V A 0.0000
602 R A -2.2004
603 F A 0.0000
604 P A -1.0359
605 Y A -0.8371
606 P A -1.0021
607 C A 0.0000
608 T A -0.5009
609 Q A -0.6031
610 T A -0.1819
611 E A -0.1210
612 L A 0.1842
613 A A 0.0000
614 M A -0.9292
615 I A 0.0000
616 G A -2.5400
617 E A -2.7148
618 E A -1.7771
619 E A -1.0755
620 C A 0.0000
621 V A 0.0000
622 L A 0.0000
623 G A 0.0000
624 L A 0.0000
625 T A 0.0000
626 D A -2.7629
627 R A -2.9507
628 C A -2.1707
629 R A -2.0186
630 F A 0.0000
631 F A 0.0000
632 I A 0.0000
633 N A -1.1881
634 D A -1.4584
635 I A -0.6720
636 E A -1.7997
637 V A 0.0000
638 A A -1.0605
639 S A -1.7515
640 N A -2.2227
641 I A 0.0000
642 T A -1.4020
643 S A -0.4095
644 F A 0.0000
645 A A 0.3354
646 V A 0.2515
647 Y A 0.0000
648 D A -1.4732
649 E A -1.6608
650 F A 0.1277
651 L A 0.0000
652 L A 0.0000
653 L A 0.0000
654 T A 0.0000
655 T A -1.4441
656 H A -2.0989
657 S A -1.9233
658 H A -2.8494
659 T A -2.1839
660 C A 0.0000
661 Q A -0.5954
662 C A 0.3818
663 F A 0.4820
664 C A -0.4268
665 L A 0.0000
666 R A -3.1411
667 D A -3.1629
668 A A -1.9160
669 S A -1.5775
670 F A -0.9172
671 K A -1.6975
672 T A -1.1617
673 L A 0.0000
674 Q A -1.0684
675 A A -1.1659
676 G A -0.8646
677 L A 0.0000
678 S A -1.1963
679 S A -1.1420
680 N A -1.4912
681 H A -1.0773
682 V A 0.5081
683 S A -0.7684
684 H A -1.5992
685 G A -2.2551
686 E A -2.3679
687 V A -1.1368
688 L A -1.7256
689 R A -3.1171
690 K A -3.2337
691 V A -2.6058
692 E A -3.0972
693 R A -3.3086
694 G A -2.3415
695 S A 0.0000
696 R A -0.8512
697 I A -0.1027
698 V A -0.1052
699 T A 0.0000
700 V A 0.0000
701 V A 0.0000
702 P A -1.6678
703 Q A -2.3969
704 D A -2.7950
705 T A -1.8359
706 K A -1.6209
707 L A 0.0000
708 V A 0.0000
709 L A 0.0000
710 Q A -1.0036
711 M A 0.0000
712 P A -1.7130
713 R A -2.3724
714 G A -1.4637
715 N A -1.3198
716 L A -0.5657
717 E A -0.7744
718 V A 0.1513
719 V A -0.4524
720 H A -1.3698
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Laboratory of Theory of Biopolymers 2018