Project name: sAPPalfa

Status: done

Started: 2025-07-27 18:18:53
Settings
Chain sequence(s) A: MLPGLALLLLAAWTARALEVPTDGNAGLLAEPQIAMFCGRLNMHMNVQNGKWDSDPSGTKTCIDTKEGILQYCQEVYPELQITNVVEANQPVTIQNWCKRGRKQCKTHPHFVIPYRCLVGEFVSDALLVPDKCKFLHQERMDVCETHLHWHTVAKETCSEKSTNLHDYGMLLPCGIDKFRGVEFVCCPLAEESDNVDSADAEEDDSDVWWGGADTDYADGSEDKVVEVAEEEEVAEVEEEEADDDEDDEDGDEVEEEAEEPYEEATERTTSIATTTTTTTESVEEVVREVCSEQAETGPCRAMISRWYFDVTEGKCAPFFYGGCGGNRNNFDTEEYCMAVCGSAMSQSLLKTTQEPLARDPVKLPTTAASTPDAVDKYLETPGDENEHAHFQKAKERLEAKHRERMSQVMREWEEAERQAKNLPKADKKAVIQHFQEKVESLEQEAANERQQLVETHMARVEAMLNDRRRLALENYITALQAVPPRPRHVFNMLKKYVRAEQKDRQHTLKHFEHVRMVDPKKAAQIRSQVMTHLRVIYERMNQSLSLLYNVPAVAEEIQDEVDELLQKEQNYSDDVLANMISEPRISYGNDALMPSLTETKTTVELLPVNGEFSLDDLQPWHSFGADSVPANTENEVEPVDARPAADRGLTTRPGSGLTNIKTEEISEVKMDAEFRHDSGYEVHHQK
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                                          (00:09:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:09:42)
Show buried residues

Minimal score value
-4.5565
Maximal score value
3.636
Average score
-1.1172
Total score value
-767.5237

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 1.7424
2 L A 1.8418
3 P A 0.8290
4 G A 0.7394
5 L A 1.7936
6 A A 1.9283
7 L A 2.9650
8 L A 3.6360
9 L A 3.5384
10 L A 2.7638
11 A A 1.4032
12 A A 0.9574
13 W A 1.2044
14 T A 0.1972
15 A A -0.6381
16 R A -1.7107
17 A A -0.2767
18 L A 0.7649
19 E A -0.4844
20 V A 0.9861
21 P A -0.2118
22 T A -1.1102
23 D A -2.2516
24 G A -2.0843
25 N A -1.9725
26 A A -0.9962
27 G A -0.4176
28 L A 0.0730
29 L A 0.8610
30 A A -0.3021
31 E A -0.6192
32 P A 0.0000
33 Q A -0.4383
34 I A 0.0000
35 A A 0.0000
36 M A 0.8585
37 F A 1.4691
38 C A 0.9544
39 G A -0.3003
40 R A -0.7884
41 L A 0.0000
42 N A 0.0000
43 M A 0.0000
44 H A -0.6316
45 M A -1.2581
46 N A -1.4420
47 V A 0.0000
48 Q A -1.5295
49 N A -1.7571
50 G A -1.5731
51 K A -2.4505
52 W A -1.6392
53 D A -1.7087
54 S A -1.1259
55 D A 0.0000
56 P A -0.7635
57 S A -0.6979
58 G A -1.6323
59 T A -1.2442
60 K A -0.9648
61 T A -0.5318
62 C A 0.2566
63 I A -0.5904
64 D A -1.9452
65 T A -1.6604
66 K A -1.7045
67 E A -2.4106
68 G A -1.8129
69 I A 0.0000
70 L A -1.3595
71 Q A -2.1941
72 Y A 0.0000
73 C A 0.0000
74 Q A -2.1026
75 E A -1.8648
76 V A -1.0852
77 Y A 0.0000
78 P A -1.7824
79 E A -2.3276
80 L A -1.6853
81 Q A -1.8828
82 I A 0.0000
83 T A -0.6603
84 N A 0.0000
85 V A 0.0000
86 V A 0.0000
87 E A -0.4134
88 A A -0.6917
89 N A -1.1172
90 Q A -1.3147
91 P A 0.1111
92 V A 0.4655
93 T A 0.6098
94 I A 0.0000
95 Q A -2.1608
96 N A -2.8360
97 W A 0.0000
98 C A 0.0000
99 K A -3.3458
100 R A -3.4232
101 G A -3.0348
102 R A -4.0704
103 K A -3.8196
104 Q A -3.3034
105 C A -3.0306
106 K A -2.6836
107 T A -1.9275
108 H A -1.7375
109 P A -1.2445
110 H A 0.0000
111 F A 1.6755
112 V A 0.0000
113 I A 1.1503
114 P A 0.0000
115 Y A -0.0608
116 R A -0.3584
117 C A 0.0000
118 L A 0.0573
119 V A -0.3841
120 G A -0.9964
121 E A -1.2990
122 F A 0.5396
123 V A 1.5620
124 S A 0.6131
125 D A 0.0132
126 A A 0.5383
127 L A 0.9881
128 L A 1.8501
129 V A 0.8242
130 P A -0.6836
131 D A -2.4891
132 K A -2.7841
133 C A -1.6290
134 K A -1.6895
135 F A 0.2287
136 L A -0.4215
137 H A -1.1889
138 Q A -1.6495
139 E A -1.8018
140 R A -1.8647
141 M A -0.4695
142 D A -1.6355
143 V A -0.8897
144 C A -0.5548
145 E A -0.7391
146 T A -0.2792
147 H A 0.0000
148 L A 0.9570
149 H A -0.0487
150 W A 0.0000
151 H A -0.3689
152 T A -0.6507
153 V A -0.7394
154 A A 0.0000
155 K A -2.7627
156 E A -3.2956
157 T A -2.4908
158 C A 0.0000
159 S A -2.9065
160 E A -3.6129
161 K A -3.0922
162 S A -2.0802
163 T A -1.9589
164 N A -2.0889
165 L A -1.5272
166 H A -0.8439
167 D A -0.4945
168 Y A 0.0000
169 G A 0.0000
170 M A 0.0000
171 L A 0.1486
172 L A 1.0715
173 P A 0.4820
174 C A 0.2857
175 G A -0.3317
176 I A -0.3626
177 D A 0.0000
178 K A -0.4476
179 F A 0.0000
180 R A -0.8922
181 G A 0.0000
182 V A 0.0000
183 E A -0.7416
184 F A 0.0000
185 V A 0.0000
186 C A 0.0000
187 C A -1.3346
188 P A -1.3797
189 L A -0.4340
190 A A -1.2308
191 E A -2.7840
192 E A -3.2783
193 S A -2.8123
194 D A -3.0215
195 N A -1.9434
196 V A -0.2376
197 D A -1.4793
198 S A -1.2236
199 A A -1.3427
200 D A -2.6554
201 A A -2.0853
202 E A -3.6657
203 E A -4.2352
204 D A -4.2063
205 D A -3.6537
206 S A -1.8465
207 D A -1.6591
208 V A 1.0039
209 W A 0.7689
210 W A 0.6053
211 G A -0.3433
212 G A -0.7146
213 A A -1.1563
214 D A -2.2220
215 T A -1.4535
216 D A -2.1045
217 Y A -0.3782
218 A A -1.0634
219 D A -2.3948
220 G A -2.3192
221 S A -2.6017
222 E A -3.5941
223 D A -2.9593
224 K A -2.1701
225 V A 0.7893
226 V A 1.5459
227 E A -0.0056
228 V A 1.1071
229 A A -0.7704
230 E A -2.8330
231 E A -3.9641
232 E A -3.6011
233 E A -2.2106
234 V A 0.1666
235 A A -0.1257
236 E A -0.9528
237 V A -0.4440
238 E A -2.5148
239 E A -3.6632
240 E A -4.0765
241 E A -3.3990
242 A A -2.4569
243 D A -3.3843
244 D A -4.0094
245 D A -4.4106
246 E A -4.2787
247 D A -4.2391
248 D A -4.2439
249 E A -4.0095
250 D A -3.6697
251 G A -3.0047
252 D A -2.9365
253 E A -2.3298
254 V A -0.7253
255 E A -2.6619
256 E A -3.3704
257 E A -3.6184
258 A A -2.5171
259 E A -3.0872
260 E A -2.5563
261 P A -1.2861
262 Y A -0.4229
263 E A -2.1346
264 E A -2.4412
265 A A -1.9285
266 T A -1.7394
267 E A -2.8278
268 R A -2.8522
269 T A -1.5374
270 T A -0.3902
271 S A 0.7314
272 I A 1.9055
273 A A 0.9330
274 T A 0.3610
275 T A -0.1536
276 T A -0.1660
277 T A -0.1909
278 T A -0.1988
279 T A -0.6055
280 T A -1.1617
281 E A -2.3143
282 S A -1.3942
283 V A -0.4838
284 E A -2.7316
285 E A -3.1989
286 V A -1.3564
287 V A -1.6352
288 R A -3.1958
289 E A -3.4058
290 V A 0.0000
291 C A 0.0000
292 S A -1.6081
293 E A -2.2460
294 Q A -1.8937
295 A A -1.3461
296 E A -1.6594
297 T A -0.5379
298 G A -0.8624
299 P A -0.8471
300 C A -0.7462
301 R A -1.2731
302 A A 0.0374
303 M A 1.3041
304 I A 1.0227
305 S A 0.4419
306 R A -0.4696
307 W A -0.6620
308 Y A -0.7750
309 F A 0.0000
310 D A -1.0154
311 V A -0.0320
312 T A -0.7460
313 E A -2.1241
314 G A -1.4329
315 K A -1.9158
316 C A 0.0000
317 A A -0.8269
318 P A -0.3120
319 F A 0.7895
320 F A 1.4900
321 Y A 0.5338
322 G A 0.0000
323 G A -0.1724
324 C A -0.4698
325 G A -0.9532
326 G A -1.4809
327 N A -1.9728
328 R A -2.7343
329 N A 0.0000
330 N A -1.4963
331 F A 0.0000
332 D A -2.1623
333 T A -1.7637
334 E A -2.2643
335 E A -1.9436
336 Y A -0.2984
337 C A 0.0000
338 M A -0.4605
339 A A 0.0320
340 V A 0.1974
341 C A 0.0000
342 G A -0.2948
343 S A -0.3637
344 A A -0.9293
345 M A 0.0419
346 S A -0.0622
347 Q A -0.5187
348 S A 0.1413
349 L A 1.4387
350 L A 1.1239
351 K A -0.9487
352 T A -0.6416
353 T A -1.1703
354 Q A -2.4049
355 E A -2.3025
356 P A -0.8265
357 L A 0.5070
358 A A -0.5712
359 R A -2.2020
360 D A -2.5443
361 P A -0.9147
362 V A 0.4966
363 K A -0.4441
364 L A 1.0045
365 P A 0.1849
366 T A -0.0951
367 T A 0.0361
368 A A -0.0685
369 A A -0.1051
370 S A -0.3492
371 T A -0.7115
372 P A -1.5424
373 D A -1.7619
374 A A -2.1771
375 V A 0.0000
376 D A -2.6110
377 K A -2.8907
378 Y A 0.0000
379 L A -1.2843
380 E A -2.5096
381 T A -1.6134
382 P A -1.5385
383 G A -1.8120
384 D A -2.3908
385 E A -2.9986
386 N A -2.7150
387 E A 0.0000
388 H A -1.9174
389 A A -1.5324
390 H A -1.8918
391 F A 0.0000
392 Q A -2.0301
393 K A -2.4069
394 A A 0.0000
395 K A 0.0000
396 E A -3.4292
397 R A -3.5832
398 L A 0.0000
399 E A -3.0524
400 A A -2.9818
401 K A -3.0949
402 H A -3.5015
403 R A -3.8340
404 E A -3.9159
405 R A -3.2382
406 M A -2.6437
407 S A -2.5847
408 Q A -2.7411
409 V A 0.0000
410 M A -1.6290
411 R A -3.2136
412 E A -2.8046
413 W A -2.6440
414 E A -4.1097
415 E A -4.2705
416 A A -3.1422
417 E A -3.8762
418 R A -4.5565
419 Q A -3.6900
420 A A 0.0000
421 K A -3.6612
422 N A -2.8405
423 L A -1.8992
424 P A -2.0736
425 K A -3.0001
426 A A -2.0294
427 D A -2.7747
428 K A -2.9943
429 K A -2.8016
430 A A -1.8329
431 V A -1.3403
432 I A -1.2883
433 Q A -2.1153
434 H A -2.2275
435 F A 0.0000
436 Q A -2.3921
437 E A -3.3611
438 K A -2.5535
439 V A -2.7030
440 E A -3.9634
441 S A -3.0751
442 L A -3.0295
443 E A -3.7074
444 Q A -3.8629
445 E A -3.9211
446 A A 0.0000
447 A A -3.0759
448 N A -3.5567
449 E A -3.2122
450 R A -3.2260
451 Q A -3.1692
452 Q A -2.4351
453 L A 0.0000
454 V A -1.3168
455 E A -2.1995
456 T A -1.0591
457 H A -0.8937
458 M A -0.7282
459 A A -0.8679
460 R A -1.1346
461 V A 0.0000
462 E A -2.0642
463 A A -1.5963
464 M A -2.1755
465 L A 0.0000
466 N A -2.4426
467 D A -3.1109
468 R A -3.2666
469 R A -2.7555
470 R A -2.7706
471 L A -1.0636
472 A A 0.0000
473 L A -1.1737
474 E A -1.5731
475 N A -1.1321
476 Y A 0.0000
477 I A -0.0288
478 T A -0.4966
479 A A 0.0000
480 L A 0.0000
481 Q A -0.9835
482 A A -0.1190
483 V A 1.0194
484 P A 0.1227
485 P A -0.9965
486 R A -2.4635
487 P A -2.6555
488 R A -3.1906
489 H A -2.2750
490 V A 0.0000
491 F A -2.0501
492 N A -1.7747
493 M A -1.3168
494 L A 0.0000
495 K A -1.9255
496 K A -2.2407
497 Y A 0.0000
498 V A 0.0000
499 R A -2.5706
500 A A -2.2893
501 E A 0.0000
502 Q A 0.0000
503 K A -1.8305
504 D A 0.0000
505 R A 0.0000
506 Q A -0.7604
507 H A -1.2399
508 T A -0.9634
509 L A 0.0000
510 K A -1.1831
511 H A -0.9874
512 F A 0.0000
513 E A -0.5790
514 H A 0.0598
515 V A 0.0000
516 R A -0.2520
517 M A 1.4859
518 V A 1.7020
519 D A -0.3470
520 P A -1.2024
521 K A -2.6418
522 K A -2.4926
523 A A 0.0000
524 A A -1.7803
525 Q A -2.3145
526 I A -1.5012
527 R A -1.5524
528 S A -1.1761
529 Q A -1.7533
530 V A 0.0000
531 M A -0.8846
532 T A -1.1353
533 H A -1.2073
534 L A 0.0000
535 R A -2.2028
536 V A -1.2540
537 I A 0.0000
538 Y A -1.5580
539 E A -2.8256
540 R A -1.9596
541 M A -1.4956
542 N A -2.2401
543 Q A -2.1750
544 S A 0.0000
545 L A -0.5532
546 S A -0.3215
547 L A 0.1854
548 L A 0.0000
549 Y A 0.6325
550 N A -0.6012
551 V A -0.3858
552 P A -0.7245
553 A A -1.0389
554 V A 0.0000
555 A A -1.5871
556 E A -2.9540
557 E A -3.6213
558 I A 0.0000
559 Q A -3.2180
560 D A -3.9830
561 E A -3.9178
562 V A 0.0000
563 D A -2.4989
564 E A -3.5459
565 L A 0.0000
566 L A -2.0684
567 Q A -2.2153
568 K A -2.1456
569 E A 0.0000
570 Q A -2.0648
571 N A -2.0929
572 Y A -0.4488
573 S A 0.0000
574 D A -1.9376
575 D A -2.2069
576 V A -0.9291
577 L A -0.5819
578 A A -0.9690
579 N A -1.5026
580 M A 0.0000
581 I A 0.6558
582 S A -0.6763
583 E A -1.2674
584 P A -1.0062
585 R A -1.1422
586 I A 1.1190
587 S A 0.5099
588 Y A 0.7300
589 G A -0.8222
590 N A -1.5946
591 D A -1.7251
592 A A -0.1684
593 L A 1.2479
594 M A 1.3625
595 P A 0.8815
596 S A 0.8217
597 L A 1.0941
598 T A -0.2713
599 E A -1.9728
600 T A -1.8351
601 K A -2.2107
602 T A -0.8975
603 T A -0.0516
604 V A 1.0334
605 E A 0.2296
606 L A 1.7510
607 L A 2.1592
608 P A 1.5155
609 V A 1.0455
610 N A -1.0034
611 G A -1.2319
612 E A -1.2929
613 F A 1.0674
614 S A 0.6854
615 L A 0.8422
616 D A -1.7105
617 D A -2.0448
618 L A -0.3973
619 Q A -1.0117
620 P A -0.3328
621 W A 0.2440
622 H A -0.1986
623 S A 0.3101
624 F A 1.4215
625 G A 0.0829
626 A A -0.6731
627 D A -1.6189
628 S A -0.3034
629 V A 1.2045
630 P A 0.3166
631 A A -0.3449
632 N A -1.7310
633 T A -1.9197
634 E A -3.1593
635 N A -2.8457
636 E A -2.4600
637 V A -0.2906
638 E A -1.1090
639 P A -0.3746
640 V A 0.4170
641 D A -1.3332
642 A A -1.5047
643 R A -2.2984
644 P A -1.0853
645 A A -0.8006
646 A A -1.3798
647 D A -2.7248
648 R A -2.6019
649 G A -0.9722
650 L A 0.8768
651 T A 0.1876
652 T A -0.8943
653 R A -2.1053
654 P A -1.4047
655 G A -1.1505
656 S A -0.4260
657 G A 0.1533
658 L A 0.9143
659 T A 0.4681
660 N A -0.3902
661 I A 0.5412
662 K A -1.4825
663 T A -1.7982
664 E A -2.6962
665 E A -1.8006
666 I A 0.4661
667 S A -0.2941
668 E A -0.9867
669 V A 0.4871
670 K A -1.2530
671 M A -0.6004
672 D A -1.9599
673 A A -1.4163
674 E A -1.7857
675 F A -0.4754
676 R A -2.1727
677 H A -2.6304
678 D A -2.5772
679 S A -1.4075
680 G A -0.7543
681 Y A 0.3116
682 E A -1.0786
683 V A 0.0386
684 H A -1.7468
685 H A -2.7096
686 Q A -2.5709
687 K A -2.8801
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Laboratory of Theory of Biopolymers 2018