Project name: pAgo

Status: done

Started: 2025-03-07 14:11:35
Settings
Chain sequence(s) A: MTAISTAPAQDLVFLSEVFPLLIARPNLAGYEVIPEIDQETGNRLSFHLSQKLEAATVIWHERRLWLLTPSQRPRPTLSQCQAALSITQQDLPDLSDQSLRLQEDNAAIATSTVLSKLAFQILRIRRPFRPILVTAIAGLTVNRKVKFWAETIELQGQARPALALAVQTEIAFAGSLADFYASNPGSPEDVLIGLPVQDFDLGGSGSIVRLVGTLREHRDRLLKLAAGGATRQAIQTAPDDQFVVAIQFGKGKKLFHYPLSALRPSITAETAGQFGFDYGQFLRFTKIPHTERQRLLRTFKAQAMDVLLRYGFEIERSLNSLEHPDLFWQPAVPLDQTPLLFGQGVTGVRGRILHGLSTGGVYNRHPNFHPGIIRIAALKLCDGSVNAFLEAVQQRLRRYGFESEIIDRKALSVADLSAAEARAALEKAVNKLITVPVDIVLTFLPQGDREADGDDGGSLYHLVYSLLLRRNIASQVIYDDTLTGVEHGQILNQVVPGVLAKLGNLPFILAEPLEIADYFIGLDISRSPKVRLAGTLNACASIRLYGKQGEFIRYVLEDALLEGEEIPQRLLERLLPATLEGKTVLIYRDGRFCGQEIPHLLERARAIQARFILVECRKSGIPRLYNLNQRTLVAPLQGLALRLSSREAVLVTTQVSERVGLARPLRLTVHEAGEPAPIEQVVETTLKLTLLHHGALKAPRLPMPIYGADRVAGLRLQGIYPSSLLEGDRQFWL
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]                                                (00:00:03)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:03)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:03)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:03)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:10:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:11:04)
Show buried residues

Minimal score value
-3.8906
Maximal score value
2.0395
Average score
-0.7787
Total score value
-571.5904

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 1.2881
2 T A 0.9765
3 A A 1.2130
4 I A 2.0395
5 S A 0.7297
6 T A 0.3587
7 A A -0.0654
8 P A -0.8050
9 A A -1.0878
10 Q A -2.3067
11 D A -2.1590
12 L A -1.0207
13 V A 0.0000
14 F A 0.4643
15 L A 0.3782
16 S A 0.0000
17 E A 0.0000
18 V A 0.0000
19 F A 0.0000
20 P A 0.0000
21 L A 0.0000
22 L A 0.2815
23 I A -0.0881
24 A A -0.7626
25 R A -1.8273
26 P A -0.9929
27 N A -1.4879
28 L A -0.2362
29 A A 0.0000
30 G A 0.0000
31 Y A 0.0000
32 E A -2.3264
33 V A 0.0000
34 I A -0.9115
35 P A -1.0279
36 E A -2.7159
37 I A -2.5202
38 D A -3.5603
39 Q A -3.7883
40 E A -3.2371
41 T A -2.3278
42 G A 0.0000
43 N A -1.9113
44 R A -1.1711
45 L A 0.0000
46 S A 0.0000
47 F A 0.2900
48 H A -0.7951
49 L A 0.0000
50 S A 0.0000
51 Q A -2.0487
52 K A -2.3318
53 L A 0.0000
54 E A -2.4818
55 A A -1.6536
56 A A 0.0000
57 T A 0.0000
58 V A 0.0000
59 I A 0.0000
60 W A 0.0000
61 H A -1.8641
62 E A -2.5567
63 R A -3.6533
64 R A -2.5283
65 L A 0.0000
66 W A 0.0000
67 L A 0.0000
68 L A 0.0000
69 T A 0.0000
70 P A 0.0000
71 S A -2.0578
72 Q A -2.5588
73 R A -2.7535
74 P A -1.8460
75 R A -1.8249
76 P A -1.3364
77 T A -0.7167
78 L A -0.4969
79 S A -0.6745
80 Q A -1.3829
81 C A 0.0000
82 Q A -0.9491
83 A A -0.5933
84 A A 0.0000
85 L A 0.0000
86 S A -0.5919
87 I A -0.0574
88 T A 0.0000
89 Q A 0.0000
90 Q A -2.2611
91 D A -2.4496
92 L A 0.0000
93 P A -2.2568
94 D A -2.7461
95 L A 0.0000
96 S A -2.3863
97 D A -2.6748
98 Q A -1.8442
99 S A -1.1603
100 L A 0.0000
101 R A -2.0235
102 L A 0.0000
103 Q A -1.8572
104 E A -1.6461
105 D A -1.4049
106 N A -1.3619
107 A A -0.2273
108 A A 0.3339
109 I A 1.8207
110 A A 0.8798
111 T A 0.2379
112 S A -0.1371
113 T A -0.3489
114 V A 0.0000
115 L A 0.1431
116 S A 0.0000
117 K A -0.3004
118 L A 0.0000
119 A A 0.0000
120 F A 0.2783
121 Q A -0.3992
122 I A 0.0000
123 L A 0.0000
124 R A -1.3827
125 I A -1.0137
126 R A -1.8540
127 R A -2.5002
128 P A -1.9431
129 F A -1.7052
130 R A -1.8886
131 P A -0.4220
132 I A 0.9216
133 L A 1.7645
134 V A 1.6369
135 T A 1.1579
136 A A 0.8779
137 I A 0.8865
138 A A 0.3557
139 G A 0.0320
140 L A 0.0000
141 T A 0.6416
142 V A 0.0000
143 N A 0.4036
144 R A 0.0000
145 K A -1.1697
146 V A -0.9734
147 K A -1.0143
148 F A -0.1818
149 W A 0.0095
150 A A 0.1560
151 E A 0.0000
152 T A -0.2322
153 I A 0.0000
154 E A -1.4523
155 L A 0.0000
156 Q A -2.1239
157 G A -1.7636
158 Q A -1.9663
159 A A -1.1367
160 R A -0.7533
161 P A 0.0000
162 A A 0.0000
163 L A 0.0000
164 A A 0.0000
165 L A 0.0000
166 A A 0.0000
167 V A 0.0000
168 Q A -1.2922
169 T A -0.4028
170 E A -0.2041
171 I A 0.3393
172 A A 0.0000
173 F A -0.0202
174 A A -0.1194
175 G A -0.6827
176 S A -0.6254
177 L A 0.0000
178 A A -0.8445
179 D A -1.8512
180 F A 0.0000
181 Y A -0.6146
182 A A -0.7890
183 S A -0.8942
184 N A -1.0372
185 P A -0.6503
186 G A -1.2798
187 S A -1.5683
188 P A -1.5555
189 E A -2.8041
190 D A -2.5709
191 V A -1.4732
192 L A 0.0000
193 I A -0.8082
194 G A -0.7221
195 L A 0.0000
196 P A -0.2006
197 V A 0.0000
198 Q A -0.2551
199 D A 0.0000
200 F A 0.6447
201 D A 0.2509
202 L A 0.6199
203 G A 0.1034
204 G A -0.0474
205 S A -0.4539
206 G A -0.4478
207 S A -0.3486
208 I A 0.0000
209 V A -0.3120
210 R A -1.6274
211 L A -0.5825
212 V A -0.1333
213 G A -0.8784
214 T A -1.6980
215 L A 0.0000
216 R A -3.7462
217 E A -3.4914
218 H A -2.4973
219 R A -3.0269
220 D A -3.2912
221 R A -2.3399
222 L A 0.0000
223 L A -1.8202
224 K A -1.8403
225 L A 0.1263
226 A A -0.6434
227 A A -0.3401
228 G A -0.3794
229 G A -1.2012
230 A A -0.9071
231 T A 0.0000
232 R A -2.3598
233 Q A -2.3653
234 A A 0.0000
235 I A 0.0000
236 Q A -2.2869
237 T A -1.2618
238 A A 0.0000
239 P A -1.4713
240 D A -2.6113
241 D A -2.6724
242 Q A -1.2356
243 F A -0.3551
244 V A 0.0000
245 V A 0.0000
246 A A 0.0000
247 I A 0.0000
248 Q A -1.1746
249 F A -0.9094
250 G A -1.7718
251 K A -2.7553
252 G A -2.5565
253 K A -2.9015
254 K A -2.4400
255 L A -0.5537
256 F A 0.7968
257 H A 0.3751
258 Y A 0.4347
259 P A 0.0000
260 L A 0.0000
261 S A -0.4170
262 A A 0.0000
263 L A 0.0000
264 R A -0.4670
265 P A 0.0000
266 S A -0.1628
267 I A 0.0000
268 T A -0.6806
269 A A -1.0298
270 E A -2.0995
271 T A -1.5929
272 A A 0.0000
273 G A -1.8992
274 Q A -2.0088
275 F A 0.0000
276 G A -1.2324
277 F A -1.4126
278 D A -2.2557
279 Y A -1.4428
280 G A -1.4410
281 Q A -1.9121
282 F A 0.0000
283 L A -0.4068
284 R A -1.8408
285 F A -0.6257
286 T A -0.4558
287 K A -1.4528
288 I A 0.0000
289 P A -1.1359
290 H A -1.1322
291 T A -1.1501
292 E A -1.3648
293 R A -1.6723
294 Q A -2.0673
295 R A -2.8705
296 L A 0.0000
297 L A 0.0000
298 R A -2.7541
299 T A -1.8130
300 F A 0.0000
301 K A -1.7164
302 A A -1.2413
303 Q A -1.8145
304 A A 0.0000
305 M A -1.0952
306 D A -1.9773
307 V A 0.0000
308 L A 0.0000
309 L A -0.1030
310 R A -1.8951
311 Y A 0.0000
312 G A -0.8859
313 F A 0.0000
314 E A -1.3016
315 I A 0.0000
316 E A -1.5131
317 R A -2.4247
318 S A -1.2213
319 L A 0.0000
320 N A 0.0000
321 S A -0.3484
322 L A 0.2251
323 E A -1.6932
324 H A -1.4082
325 P A -1.1373
326 D A -2.1248
327 L A 0.0000
328 F A -0.3593
329 W A -0.5859
330 Q A -0.3925
331 P A -0.3028
332 A A 0.1479
333 V A 0.0156
334 P A -0.8002
335 L A -1.0285
336 D A -2.3429
337 Q A -1.8573
338 T A 0.0000
339 P A -0.7857
340 L A 0.0000
341 L A -0.0239
342 F A 0.0000
343 G A 0.0000
344 Q A -1.3148
345 G A -0.7364
346 V A -0.1175
347 T A 0.0534
348 G A -0.4493
349 V A -0.9220
350 R A 0.0000
351 G A -2.1192
352 R A -2.4119
353 I A 0.0000
354 L A -0.8476
355 H A -1.4488
356 G A 0.0000
357 L A 0.0000
358 S A -1.0536
359 T A -0.7124
360 G A 0.0000
361 G A -1.0774
362 V A 0.0000
363 Y A -0.5574
364 N A -1.4580
365 R A -1.9348
366 H A -1.7533
367 P A -1.6745
368 N A -1.8494
369 F A 0.0000
370 H A -1.7359
371 P A -1.2534
372 G A -0.7484
373 I A -0.2753
374 I A 0.0000
375 R A -0.7174
376 I A 0.0000
377 A A 0.0000
378 A A 0.0000
379 L A 0.0000
380 K A -1.1221
381 L A 0.0000
382 C A 0.0000
383 D A -2.0025
384 G A -1.3876
385 S A -0.9745
386 V A 0.0000
387 N A -1.4941
388 A A -1.0123
389 F A 0.0000
390 L A 0.0000
391 E A -2.4803
392 A A -1.6954
393 V A 0.0000
394 Q A -2.4500
395 Q A -2.9493
396 R A -2.3934
397 L A 0.0000
398 R A -3.1171
399 R A -3.0972
400 Y A 0.0000
401 G A -1.8214
402 F A 0.0000
403 E A -2.1627
404 S A 0.0000
405 E A -1.3192
406 I A -0.7761
407 I A -0.3014
408 D A -1.2561
409 R A -2.0899
410 K A -1.6248
411 A A -0.8267
412 L A -0.1771
413 S A -0.5378
414 V A -0.4510
415 A A -0.7500
416 D A -1.6593
417 L A -0.7895
418 S A -0.8148
419 A A -1.1279
420 A A -0.8935
421 E A -1.9853
422 A A 0.0000
423 R A -1.2357
424 A A -1.4902
425 A A -1.3836
426 L A 0.0000
427 E A -2.3794
428 K A -2.8694
429 A A -1.9450
430 V A 0.0000
431 N A -2.2850
432 K A -2.6117
433 L A 0.0000
434 I A -0.5315
435 T A -0.5178
436 V A -0.0205
437 P A -0.0105
438 V A -0.1396
439 D A -0.3817
440 I A 0.0000
441 V A 0.0000
442 L A 0.0000
443 T A 0.0000
444 F A 0.0000
445 L A 0.0000
446 P A -1.5475
447 Q A -2.3739
448 G A -2.1128
449 D A 0.0000
450 R A -3.4804
451 E A -3.8906
452 A A -3.5218
453 D A -3.8051
454 G A -3.2667
455 D A -3.8144
456 D A -3.2059
457 G A -2.2072
458 G A -2.5912
459 S A 0.0000
460 L A 0.0000
461 Y A -0.3237
462 H A -0.4738
463 L A -0.0066
464 V A 0.0000
465 Y A 0.0000
466 S A 0.0000
467 L A 0.0000
468 L A 0.0000
469 L A 0.0000
470 R A -1.6479
471 R A -1.5310
472 N A -1.0376
473 I A -0.5269
474 A A 0.0000
475 S A 0.0000
476 Q A -0.0083
477 V A 0.2045
478 I A 0.0000
479 Y A -0.7894
480 D A -1.2878
481 D A -1.2003
482 T A -0.7327
483 L A 0.0000
484 T A -0.7408
485 G A -0.7715
486 V A -0.6705
487 E A -1.9632
488 H A -1.3656
489 G A -1.3028
490 Q A -1.7379
491 I A 0.0000
492 L A 0.0000
493 N A -0.8695
494 Q A -1.0247
495 V A 0.0000
496 V A 0.0000
497 P A 0.0000
498 G A 0.0000
499 V A 0.0000
500 L A 0.0000
501 A A 0.0000
502 K A 0.0000
503 L A 0.0000
504 G A -0.9381
505 N A 0.0000
506 L A 0.0000
507 P A 0.0000
508 F A 0.0000
509 I A 0.0000
510 L A 0.0000
511 A A -0.7987
512 E A -2.3119
513 P A -2.1338
514 L A 0.0000
515 E A -2.5663
516 I A 0.0000
517 A A 0.0000
518 D A -1.8783
519 Y A -0.6317
520 F A 0.0000
521 I A 0.0000
522 G A 0.0000
523 L A 0.0000
524 D A 0.0000
525 I A 0.0000
526 S A 0.0000
527 R A -2.0762
528 S A -0.8342
529 P A -0.6755
530 K A -0.1604
531 V A 0.9283
532 R A -0.5482
533 L A 0.8298
534 A A -0.2121
535 G A -0.9049
536 T A -0.9337
537 L A 0.2132
538 N A 0.0000
539 A A -0.7081
540 C A 0.0000
541 A A 0.0000
542 S A 0.0000
543 I A 0.0000
544 R A 0.0000
545 L A 0.0000
546 Y A 0.0000
547 G A 0.0000
548 K A -2.2278
549 Q A -1.6621
550 G A 0.0000
551 E A -0.5130
552 F A 0.0000
553 I A 0.2415
554 R A -0.7514
555 Y A 0.0000
556 V A 0.0000
557 L A 0.0000
558 E A -1.2486
559 D A -1.4528
560 A A -0.3553
561 L A 0.8005
562 L A 0.0000
563 E A -1.9811
564 G A -2.1585
565 E A -3.1015
566 E A -2.3891
567 I A 0.0000
568 P A -1.7900
569 Q A -2.3329
570 R A -2.8707
571 L A 0.0000
572 L A 0.0000
573 E A -2.9991
574 R A -2.9097
575 L A 0.0000
576 L A 0.0000
577 P A -1.1573
578 A A -1.1967
579 T A -0.7903
580 L A 0.0000
581 E A -2.9933
582 G A -2.6266
583 K A -2.1547
584 T A 0.0000
585 V A 0.0000
586 L A 0.0000
587 I A 0.0000
588 Y A 0.0000
589 R A 0.0000
590 D A -1.0046
591 G A -1.4407
592 R A -2.3402
593 F A 0.0000
594 C A -1.5875
595 G A -1.6863
596 Q A -1.6084
597 E A 0.0000
598 I A -0.6885
599 P A -1.0943
600 H A -1.8841
601 L A 0.0000
602 L A -1.5690
603 E A -2.7875
604 R A -2.4812
605 A A 0.0000
606 R A -3.4429
607 A A -2.0731
608 I A 0.0000
609 Q A -3.2590
610 A A 0.0000
611 R A -2.9539
612 F A 0.0000
613 I A 0.0000
614 L A 0.0000
615 V A 0.0000
616 E A 0.0000
617 C A 0.0000
618 R A -1.3563
619 K A -1.4736
620 S A -1.0817
621 G A -0.8137
622 I A 0.0000
623 P A 0.0000
624 R A -0.6446
625 L A 0.0000
626 Y A 0.0000
627 N A 0.0000
628 L A -1.0926
629 N A -2.3785
630 Q A -2.6066
631 R A -2.6860
632 T A -1.5512
633 L A 0.0000
634 V A -0.2554
635 A A -0.2203
636 P A 0.0000
637 L A 0.4126
638 Q A -0.3180
639 G A 0.0000
640 L A 0.0000
641 A A 0.0000
642 L A 0.0000
643 R A -0.9439
644 L A 0.0000
645 S A -1.1251
646 S A -1.0715
647 R A -1.8391
648 E A -1.1198
649 A A 0.0000
650 V A 0.0000
651 L A 0.0000
652 V A 0.0000
653 T A 0.0000
654 T A -1.0879
655 Q A -1.3180
656 V A -0.6616
657 S A -1.0704
658 E A -2.3397
659 R A -2.3334
660 V A -0.1580
661 G A -1.0382
662 L A -0.7641
663 A A 0.0000
664 R A -2.2030
665 P A 0.0000
666 L A 0.0000
667 R A -0.8453
668 L A 0.0000
669 T A 0.0000
670 V A 0.0000
671 H A -1.6127
672 E A -2.2320
673 A A -1.0343
674 G A -1.2097
675 E A -1.4165
676 P A -1.2620
677 A A -0.9176
678 P A -0.8290
679 I A 0.0000
680 E A -1.3142
681 Q A -1.2721
682 V A 0.0000
683 V A 0.0000
684 E A -1.1440
685 T A 0.0000
686 T A 0.0000
687 L A 0.0000
688 K A -0.4211
689 L A 0.0000
690 T A 0.0000
691 L A 0.0000
692 L A 0.0000
693 H A 0.0000
694 H A 0.0000
695 G A -0.3314
696 A A -0.6538
697 L A -0.9632
698 K A -1.8328
699 A A -1.0096
700 P A -0.5431
701 R A -1.0111
702 L A 0.0000
703 P A 0.0000
704 M A 0.0000
705 P A 0.0000
706 I A 0.0000
707 Y A -0.3057
708 G A 0.0000
709 A A 0.0000
710 D A -1.1528
711 R A -1.0703
712 V A 0.0000
713 A A 0.0000
714 G A -1.0558
715 L A 0.0000
716 R A -0.9011
717 L A -0.4659
718 Q A -1.1456
719 G A -0.7606
720 I A 0.0000
721 Y A -0.4826
722 P A 0.0000
723 S A -0.7709
724 S A -0.4017
725 L A 0.1547
726 L A -0.1890
727 E A -1.3322
728 G A -1.0238
729 D A -1.2453
730 R A -0.9393
731 Q A 0.0000
732 F A 0.0000
733 W A 0.0000
734 L A 0.0332
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Laboratory of Theory of Biopolymers 2018