Project name: TGM1

Status: done

Started: 2024-06-14 14:30:13
Settings
Chain sequence(s) A: MMDGPRSDVGRWGGNPLQPPTTPSPEPEPEPDGRSRRGGGRSFWARCCGCCSCRNAADDDWGPEPSDSRGRGSSSGTRRPGSRGSDSRRPVSRGSGVNAAGDGTIREGMLVVNGVDLLSSRSDQNRREHHTDEYEYDELIVRRGQPFHMLLLLSRTYESSDRITLELLIGNNPEVGKGTHVIIPVGKGGSGGWKAQVVKASGQNLNLRVHTSPNAIIGKFQFTVRTQSDAGEFQLPFDPRNEIYILFNPWCPEDIVYVDHEDWRQEYVLNESGRIYYGTEAQIGERTWNYGQFDHGVLDACLYILDRRGMPYGGRGDPVNVSRVISAMVNSLDDNGVLIGNWSGDYSRGTNPSAWVGSVEILLSYLRTGYSVPYGQCWVFAGVTTTVLRCLGLATRTVTNFNSAHDTDTSLTMDIYFDENMKPLEHLNHDSVWNFHVWNDCWMKRPDLPSGFDGWQVVDATPQETSSGIFCCGPCSVESIKNGLVYMKYDTPFIFAEVNSDKVYWQRQDDGSFKIVYVEEKAIGTLIVTKAISSNMREDITYLYKHPEGSDAERKAVETAAAHGSKPNVYANRGSAEDVAMQVEAQDAVMGQDLMVSVMLINHSSSRRTVKLHLYLSVTFYTGVSGTIFKETKKEVELAPGASDRVTMPVAYKEYRPHLVDQGAMLLNVSGHVKESGQVLAKQHTFRLRTPDLSLTLLGAAVVGQECEVQIVFKNPLPVTLTNVVFRLEGSGLQRPKILNVGDIGGNETVTLRQSFVPVRPGPRQLIASLDSPQLSQVHGVIQVDVAPAPGDGGFFSDAGGDSHLGETIPMASRGGA
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                                          (00:06:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:31)
Show buried residues

Minimal score value
-3.8887
Maximal score value
1.9824
Average score
-0.8159
Total score value
-666.6181

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 1.1489
2 M A 0.5587
3 D A -1.3184
4 G A -1.6590
5 P A -1.9543
6 R A -2.4446
7 S A -1.6968
8 D A -1.8772
9 V A -0.0428
10 G A -0.7140
11 R A -1.4179
12 W A -0.1744
13 G A -0.8288
14 G A -1.3285
15 N A -1.4689
16 P A -0.5417
17 L A 0.4419
18 Q A -0.8421
19 P A -0.6595
20 P A -0.5659
21 T A -0.5289
22 T A -0.4002
23 P A -0.7244
24 S A -0.9141
25 P A -1.5837
26 E A -2.5814
27 P A -2.3201
28 E A -2.9710
29 P A -2.5275
30 E A -2.9417
31 P A -2.5786
32 D A -2.9639
33 G A -2.3559
34 R A -3.1990
35 S A -2.6189
36 R A -3.4465
37 R A -3.3700
38 G A -2.3759
39 G A -2.0718
40 G A -1.6723
41 R A -1.7318
42 S A 0.0654
43 F A 1.6291
44 W A 1.4110
45 A A 0.1915
46 R A -1.2683
47 C A -0.6400
48 C A 0.0000
49 G A -0.5885
50 C A -0.0714
51 C A -0.4019
52 S A -0.8564
53 C A -0.5341
54 R A -2.2643
55 N A -2.6289
56 A A -1.8044
57 A A -2.2575
58 D A -3.4380
59 D A -3.4317
60 D A -2.7370
61 W A -0.9684
62 G A -1.2216
63 P A -1.3573
64 E A -2.3123
65 P A -1.8691
66 S A -1.9604
67 D A -2.7619
68 S A -2.1641
69 R A -3.0219
70 G A -2.7176
71 R A -2.7236
72 G A -1.6134
73 S A -0.9821
74 S A -0.6097
75 S A -0.6026
76 G A -1.0402
77 T A -1.6283
78 R A -2.9204
79 R A -2.9881
80 P A -1.9700
81 G A -1.4500
82 S A -1.4735
83 R A -2.5432
84 G A -2.1208
85 S A -2.0025
86 D A -3.1039
87 S A -2.6614
88 R A -3.2102
89 R A -2.6828
90 P A -1.1851
91 V A 0.1433
92 S A -0.7607
93 R A -1.8680
94 G A -1.1932
95 S A -1.0913
96 G A -0.5206
97 V A 0.8114
98 N A -0.7926
99 A A -0.2801
100 A A -0.9244
101 G A -1.7516
102 D A -2.1134
103 G A -1.5056
104 T A -0.7184
105 I A -0.1002
106 R A -2.1378
107 E A -2.4100
108 G A -1.6652
109 M A 0.0000
110 L A 0.0000
111 V A -0.9265
112 V A 0.0000
113 N A -1.2412
114 G A -0.6721
115 V A -0.6826
116 D A -1.0417
117 L A 0.0000
118 L A -0.6072
119 S A -1.7681
120 S A -1.8592
121 R A -2.7841
122 S A -1.8370
123 D A -2.2359
124 Q A -2.7637
125 N A 0.0000
126 R A 0.0000
127 R A -3.8887
128 E A -3.3543
129 H A 0.0000
130 H A -2.0293
131 T A 0.0000
132 D A -2.8371
133 E A -1.3547
134 Y A 0.0000
135 E A -1.4285
136 Y A 0.0000
137 D A -2.7525
138 E A -1.9622
139 L A 0.0000
140 I A 0.0000
141 V A 0.0000
142 R A 0.0000
143 R A 0.0000
144 G A -1.1235
145 Q A -1.1689
146 P A -1.0585
147 F A 0.0000
148 H A -0.8630
149 M A 0.0000
150 L A -0.2857
151 L A 0.0000
152 L A -0.7211
153 L A 0.0000
154 S A -1.1266
155 R A -1.3107
156 T A -1.3291
157 Y A -1.5306
158 E A -2.1809
159 S A -1.4878
160 S A -1.6832
161 D A 0.0000
162 R A -3.0488
163 I A 0.0000
164 T A 0.0000
165 L A 0.0000
166 E A 0.0000
167 L A 0.0000
168 L A -0.3696
169 I A 0.0000
170 G A -1.4844
171 N A -2.0761
172 N A -2.3459
173 P A -1.7805
174 E A -2.0401
175 V A 0.2706
176 G A -1.0425
177 K A -2.0854
178 G A -1.0098
179 T A 0.0000
180 H A -0.4380
181 V A 0.4494
182 I A 0.9449
183 I A 0.0000
184 P A -1.1193
185 V A -1.2210
186 G A -1.7212
187 K A -2.5170
188 G A -1.8297
189 G A -1.3766
190 S A -0.9570
191 G A -1.0011
192 G A -1.0297
193 W A -0.6536
194 K A -1.5814
195 A A 0.0000
196 Q A -1.3432
197 V A -0.0499
198 V A 0.1943
199 K A -1.1720
200 A A -1.0532
201 S A -1.2662
202 G A -1.4653
203 Q A -1.8873
204 N A -1.4309
205 L A 0.0000
206 N A -0.6260
207 L A 0.0000
208 R A -1.3166
209 V A 0.0000
210 H A -1.0427
211 T A 0.0000
212 S A 0.0000
213 P A -1.4258
214 N A -1.7691
215 A A 0.0000
216 I A 0.0000
217 I A 0.0000
218 G A 0.0000
219 K A -0.7113
220 F A 0.0000
221 Q A -0.7798
222 F A 0.0000
223 T A 0.0000
224 V A 0.0000
225 R A -2.2811
226 T A 0.0000
227 Q A -2.8457
228 S A -2.3990
229 D A -2.5062
230 A A -1.9744
231 G A -2.0850
232 E A -3.0681
233 F A -1.6573
234 Q A -1.6993
235 L A -0.5810
236 P A -0.0111
237 F A 0.4286
238 D A -0.6627
239 P A -1.2850
240 R A -2.5886
241 N A -1.6135
242 E A -1.3799
243 I A 0.0000
244 Y A 0.0000
245 I A 0.0000
246 L A 0.0000
247 F A 0.0000
248 N A 0.0000
249 P A 0.0000
250 W A -0.8349
251 C A 0.0000
252 P A -1.3031
253 E A -2.0822
254 D A 0.0000
255 I A -1.0218
256 V A 0.0000
257 Y A -0.8278
258 V A 0.0000
259 D A -2.5406
260 H A -2.5915
261 E A -2.8008
262 D A -2.5620
263 W A -1.6311
264 R A -1.6728
265 Q A -1.6347
266 E A 0.0000
267 Y A 0.0000
268 V A 0.0000
269 L A -0.4489
270 N A -0.3981
271 E A -0.4153
272 S A 0.0000
273 G A 0.0000
274 R A -1.0414
275 I A 0.0000
276 Y A 0.0000
277 Y A -0.3763
278 G A 0.0000
279 T A 0.0000
280 E A -0.7424
281 A A -0.7113
282 Q A -0.7191
283 I A -0.5935
284 G A 0.0000
285 E A -1.6606
286 R A 0.0000
287 T A 0.0000
288 W A 0.0000
289 N A 0.0000
290 Y A 0.0000
291 G A 0.0000
292 Q A 0.0000
293 F A 0.0000
294 D A 0.0000
295 H A -1.3214
296 G A 0.0000
297 V A 0.0000
298 L A 0.0000
299 D A -0.6230
300 A A 0.0000
301 C A 0.0000
302 L A 0.0000
303 Y A -0.5897
304 I A 0.0000
305 L A 0.0000
306 D A -1.2591
307 R A -2.0819
308 R A -1.8324
309 G A -1.3303
310 M A 0.0000
311 P A -0.7247
312 Y A -0.7656
313 G A -1.1474
314 G A -0.9480
315 R A 0.0000
316 G A -0.9485
317 D A -1.2376
318 P A 0.0000
319 V A 0.0000
320 N A -1.3787
321 V A 0.0000
322 S A 0.0000
323 R A -0.5058
324 V A -0.3596
325 I A 0.0000
326 S A 0.0000
327 A A 0.0000
328 M A 0.0000
329 V A 0.0000
330 N A 0.0000
331 S A -0.4147
332 L A -0.6193
333 D A -1.1077
334 D A -1.5860
335 N A -1.5913
336 G A 0.0000
337 V A 0.0000
338 L A 0.0000
339 I A 0.2491
340 G A 0.0412
341 N A -0.4647
342 W A 0.0000
343 S A -0.9250
344 G A -1.1892
345 D A -2.3569
346 Y A -1.6818
347 S A -1.7352
348 R A -2.3277
349 G A -1.3942
350 T A -0.7860
351 N A -0.8681
352 P A 0.0000
353 S A 0.0000
354 A A 0.0000
355 W A 0.0000
356 V A 0.0000
357 G A 0.0000
358 S A 0.0000
359 V A 0.0000
360 E A -0.8452
361 I A 0.0000
362 L A 0.0000
363 L A -0.7806
364 S A -0.6182
365 Y A 0.0000
366 L A 0.0000
367 R A -1.3581
368 T A -0.4257
369 G A -0.2052
370 Y A 0.7232
371 S A 0.0000
372 V A 0.0000
373 P A -0.2340
374 Y A -0.1789
375 G A 0.0000
376 Q A 0.0000
377 C A 0.0000
378 W A 0.0000
379 V A 0.0000
380 F A 0.0000
381 A A 0.0000
382 G A 0.0000
383 V A 0.0000
384 T A 0.0000
385 T A 0.0000
386 T A 0.0000
387 V A 0.0000
388 L A 0.0000
389 R A 0.0000
390 C A 0.0000
391 L A 0.0000
392 G A 0.0000
393 L A 0.0000
394 A A 0.0000
395 T A 0.0000
396 R A 0.0000
397 T A 0.0000
398 V A 0.0000
399 T A 0.0000
400 N A 0.0000
401 F A 0.0000
402 N A -0.2465
403 S A 0.0000
404 A A 0.0000
405 H A 0.0000
406 D A 0.0000
407 T A -1.1940
408 D A -2.0314
409 T A -1.1369
410 S A 0.0000
411 L A 0.0000
412 T A 0.0000
413 M A 0.0000
414 D A -0.2188
415 I A 0.0000
416 Y A -0.4148
417 F A 0.0000
418 D A 0.0000
419 E A -2.5948
420 N A -2.4272
421 M A 0.0000
422 K A -2.0146
423 P A -1.3813
424 L A 0.0000
425 E A -2.4952
426 H A -1.8047
427 L A -0.8239
428 N A -1.3763
429 H A -1.7474
430 D A -1.0388
431 S A -0.3811
432 V A 0.0772
433 W A 0.0000
434 N A 0.0000
435 F A 0.0000
436 H A 0.0000
437 V A 0.0000
438 W A 0.0000
439 N A 0.0000
440 D A 0.0000
441 C A 0.0000
442 W A -0.1561
443 M A 0.0000
444 K A -1.9757
445 R A 0.0000
446 P A -1.3509
447 D A -1.6368
448 L A -1.1863
449 P A -0.7737
450 S A -1.0474
451 G A -1.2767
452 F A 0.0000
453 D A -2.0102
454 G A 0.0000
455 W A 0.0000
456 Q A 0.0000
457 V A 0.0000
458 V A 0.0000
459 D A 0.0000
460 A A 0.0000
461 T A 0.0000
462 P A 0.0000
463 Q A 0.0000
464 E A -0.3524
465 T A -0.2286
466 S A -0.1879
467 S A -0.3588
468 G A -0.4653
469 I A 0.0283
470 F A 0.0240
471 C A 0.0000
472 C A 0.0000
473 G A 0.0000
474 P A 0.0000
475 C A 0.0000
476 S A 0.0000
477 V A 0.0000
478 E A -1.3652
479 S A 0.0000
480 I A 0.0000
481 K A -0.5863
482 N A -1.0611
483 G A 0.0000
484 L A 0.1033
485 V A 0.0000
486 Y A 0.9544
487 M A 0.2266
488 K A -0.9003
489 Y A -0.4272
490 D A -0.3720
491 T A 0.0000
492 P A -0.0137
493 F A -0.1700
494 I A 0.0000
495 F A 0.0000
496 A A 0.0000
497 E A 0.0000
498 V A 0.0000
499 N A 0.0000
500 S A 0.0000
501 D A 0.0000
502 K A 0.0000
503 V A 0.0000
504 Y A 0.0000
505 W A 0.2323
506 Q A -0.9812
507 R A -2.0306
508 Q A -2.7843
509 D A -3.4235
510 D A -3.1437
511 G A -2.3278
512 S A -1.4463
513 F A -0.6918
514 K A -0.4844
515 I A 0.0962
516 V A 0.2590
517 Y A -0.0829
518 V A -0.2509
519 E A -0.9771
520 E A -1.9533
521 K A -2.5885
522 A A -1.1725
523 I A 0.0000
524 G A 0.0000
525 T A -0.7286
526 L A -0.1968
527 I A 0.0000
528 V A 0.0000
529 T A 0.0000
530 K A -1.2473
531 A A 0.0000
532 I A -0.4897
533 S A -0.5417
534 S A -0.6680
535 N A -1.4532
536 M A -0.6724
537 R A -2.1681
538 E A -2.4219
539 D A -2.0928
540 I A 0.0000
541 T A 0.1216
542 Y A 0.9158
543 L A 0.5037
544 Y A 0.0000
545 K A 0.0000
546 H A -0.9731
547 P A -1.2900
548 E A -2.8222
549 G A -2.2936
550 S A -2.0731
551 D A -2.7625
552 A A -2.1835
553 E A 0.0000
554 R A -2.7100
555 K A -2.9747
556 A A 0.0000
557 V A 0.0000
558 E A -2.5063
559 T A -1.5234
560 A A 0.0000
561 A A 0.0000
562 A A -1.2678
563 H A -1.0979
564 G A -1.2354
565 S A -1.1889
566 K A -1.2935
567 P A -1.4577
568 N A -1.7354
569 V A -1.0715
570 Y A -1.2534
571 A A -1.3965
572 N A -2.2986
573 R A -2.4640
574 G A -1.8622
575 S A -1.4509
576 A A -1.3605
577 E A -2.1517
578 D A -1.6662
579 V A 0.0000
580 A A -0.6214
581 M A -0.4756
582 Q A -1.5729
583 V A -1.5063
584 E A -2.3779
585 A A -1.7551
586 Q A -2.4065
587 D A -2.6014
588 A A 0.0000
589 V A -1.1824
590 M A 0.0000
591 G A -1.2326
592 Q A -2.3700
593 D A -2.6526
594 L A 0.0000
595 M A -1.0822
596 V A 0.0000
597 S A 0.0000
598 V A 0.0000
599 M A -1.3441
600 L A 0.0000
601 I A -0.5881
602 N A 0.0000
603 H A -1.7355
604 S A -1.4508
605 S A -1.0958
606 S A -1.6046
607 R A -2.8055
608 R A -2.6045
609 T A 0.0000
610 V A 0.0000
611 K A -2.7871
612 L A 0.0000
613 H A -2.1794
614 L A 0.0000
615 Y A 0.0000
616 L A 0.0000
617 S A 0.0000
618 V A 0.0000
619 T A 0.0000
620 F A 0.1838
621 Y A 0.0000
622 T A 0.0000
623 G A 0.0353
624 V A -0.5567
625 S A -0.4014
626 G A -0.3793
627 T A 0.0792
628 I A 0.5547
629 F A 0.0254
630 K A -0.8286
631 E A -2.0777
632 T A -2.0037
633 K A -3.0543
634 K A -2.7533
635 E A -3.3421
636 V A 0.0000
637 E A -2.9263
638 L A 0.0000
639 A A -1.6275
640 P A -1.5486
641 G A -1.1838
642 A A -1.1090
643 S A -1.2097
644 D A -1.9599
645 R A -2.1887
646 V A 0.0000
647 T A -0.7465
648 M A 0.0000
649 P A -0.6342
650 V A 0.0000
651 A A -1.7323
652 Y A -1.9730
653 K A -2.5477
654 E A -1.7777
655 Y A 0.0000
656 R A -1.3336
657 P A -0.8810
658 H A -0.5013
659 L A -0.0741
660 V A -0.0678
661 D A -0.4065
662 Q A -0.3315
663 G A 0.0000
664 A A 0.0000
665 M A 0.0000
666 L A 0.0000
667 L A 0.0000
668 N A 0.0000
669 V A 0.0000
670 S A 0.0000
671 G A 0.0000
672 H A -1.8968
673 V A 0.0000
674 K A -2.7756
675 E A -2.6062
676 S A -1.8011
677 G A -1.7432
678 Q A 0.0000
679 V A -0.6359
680 L A 0.0000
681 A A 0.0000
682 K A -0.6725
683 Q A -0.4973
684 H A -0.7652
685 T A -0.4613
686 F A 0.0000
687 R A -0.8616
688 L A 0.0000
689 R A -1.8086
690 T A -1.0374
691 P A -1.4968
692 D A -2.1719
693 L A 0.0000
694 S A -0.6744
695 L A 0.0000
696 T A -0.1215
697 L A 0.0069
698 L A 0.2072
699 G A -0.2567
700 A A -0.5542
701 A A 0.0000
702 V A -0.3343
703 V A 0.2638
704 G A -0.4648
705 Q A -1.4030
706 E A -2.3046
707 C A 0.0000
708 E A -1.8312
709 V A 0.0000
710 Q A -0.9545
711 I A 0.0000
712 V A -0.4980
713 F A 0.0000
714 K A -2.6516
715 N A 0.0000
716 P A -1.2356
717 L A 0.0000
718 P A -0.7037
719 V A 0.0582
720 T A -0.8793
721 L A 0.0000
722 T A -1.4287
723 N A -2.1595
724 V A 0.0000
725 V A -0.5347
726 F A 0.0000
727 R A -0.0258
728 L A 0.0000
729 E A 0.0000
730 G A 0.0000
731 S A 0.0000
732 G A 0.0000
733 L A 0.0000
734 Q A -0.5178
735 R A -1.3728
736 P A -0.8844
737 K A -0.3909
738 I A 0.7105
739 L A 0.2043
740 N A -1.1359
741 V A -0.5673
742 G A -1.6299
743 D A -2.3747
744 I A 0.0000
745 G A -1.5460
746 G A -1.5708
747 N A -2.4576
748 E A -2.5774
749 T A -1.6583
750 V A -0.5042
751 T A -0.4204
752 L A -0.5989
753 R A -2.0839
754 Q A -1.4672
755 S A -1.4054
756 F A 0.0000
757 V A -0.0963
758 P A 0.0000
759 V A 1.7852
760 R A 0.0000
761 P A -0.2136
762 G A -0.9020
763 P A -1.5137
764 R A -1.3212
765 Q A -1.0336
766 L A 0.0000
767 I A 0.0000
768 A A 0.0000
769 S A 0.0000
770 L A 0.0000
771 D A -0.7407
772 S A 0.0000
773 P A -1.0232
774 Q A -0.4927
775 L A 0.0000
776 S A -0.3275
777 Q A 0.0000
778 V A 0.0000
779 H A -0.9079
780 G A -0.5029
781 V A 0.0230
782 I A -0.3227
783 Q A -1.5569
784 V A 0.0000
785 D A -2.2794
786 V A 0.0000
787 A A -0.6087
788 P A -0.7694
789 A A -0.8103
790 P A -1.1810
791 G A -1.4053
792 D A -1.8812
793 G A -1.1732
794 G A 0.0990
795 F A 1.8832
796 F A 1.9824
797 S A 0.2791
798 D A -1.3779
799 A A -1.2050
800 G A -1.6049
801 G A -1.9209
802 D A -2.3041
803 S A -1.4158
804 H A -1.2417
805 L A 0.0647
806 G A -0.8763
807 E A -1.6535
808 T A -0.4950
809 I A -0.1302
810 P A -0.0371
811 M A 0.3075
812 A A -0.5192
813 S A -1.0242
814 R A -2.1325
815 G A -1.6292
816 G A -1.1993
817 A A -0.5767
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Laboratory of Theory of Biopolymers 2018