Project name: 6test

Status: done

Started: 2026-05-29 22:23:30
Settings
Chain sequence(s) A: MTKEHAGLFTREGAQVPLQGVEVTGELLGGHARVRVRQRYRNDEPRPIEAVYTFPLPSDGTLSAFSMTCAGRRVEGIVKEREEAFRAYDDAVTAGHGAALLDEERSNVFTAQVGNLLPNEETIVEVEFLQAVTAEEGSVRWMLPTLVAPRYIPGKPAGDRTGHGSAEPTPRVPDADRISPPIGQVQYGLRMDLLVDLGREVIVESPSHAITVTRESGTRARVSFSRGEVSLDRDLVLSLRSSDTSAVFTPLATHRKGDKPGTFALTVVPDLLGMASAPPKQEVIFLVDVSGSMDGDSLPQAQAALRLCLRHLREGDRFNVIAFESSFHSFQPLPVPFTQRMLEEADRWVAALRAGGGTELLGPMQTAARTAPDGVLVLLTDGQVGNEDEILRAVLAERKSARVYSFGIGTNVSDALLRDMAKQTGGDVEFIHPGERIDDKVVAQFSRALAPRITELQVYFDGVEGAELAPGELPPMVDGMPWTLLGRYPTPGTGKVTLRGRSGREPFALTVRVDFPAESDRPAVEKLWAAERIKGWEAASLTGRRADSMKKRIVELAVEHQIVTRYTSFVVVEERTGDRRASGQPETRVVPVNAPAGWAMFGTQKHEEAEVAPVIQRPGARGRGGSAPVAAGPPSRQAPAHAVMASAGGPPP
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:08:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:48)
Show buried residues

Minimal score value
-4.147
Maximal score value
2.3449
Average score
-0.8798
Total score value
-573.6127

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 0.2835
2 T A -1.0041
3 K A -2.6085
4 E A -3.0312
5 H A -2.4207
6 A A -1.3820
7 G A -1.0317
8 L A -0.3903
9 F A -0.9055
10 T A -1.7358
11 R A -3.0187
12 E A -2.9808
13 G A -1.8499
14 A A -0.9610
15 Q A -0.8510
16 V A 0.0000
17 P A 0.0000
18 L A 0.0000
19 Q A -1.2847
20 G A -1.6113
21 V A 0.0000
22 E A -2.2926
23 V A 0.0000
24 T A -1.2764
25 G A -0.8177
26 E A -0.7894
27 L A 0.0000
28 L A -0.3526
29 G A -0.5446
30 G A -0.1681
31 H A -0.4281
32 A A 0.0000
33 R A -1.1084
34 V A 0.0000
35 R A -1.1694
36 V A 0.0000
37 R A -1.8483
38 Q A 0.0000
39 R A -2.2118
40 Y A 0.0000
41 R A -2.2700
42 N A 0.0000
43 D A -2.5689
44 E A -1.6547
45 P A -1.1999
46 R A -1.4734
47 P A -1.2667
48 I A 0.0000
49 E A -0.7535
50 A A 0.0000
51 V A 0.0000
52 Y A 0.0000
53 T A 0.0000
54 F A 0.0000
55 P A 0.0000
56 L A 0.0000
57 P A 0.0000
58 S A -0.4930
59 D A -0.6555
60 G A -0.3334
61 T A 0.0000
62 L A 0.0000
63 S A 0.0000
64 A A -0.2134
65 F A 0.0000
66 S A 0.0000
67 M A 0.0000
68 T A -1.5179
69 C A 0.0000
70 A A -1.0321
71 G A -1.4598
72 R A -2.0487
73 R A -2.2242
74 V A -1.5431
75 E A -1.5942
76 G A -0.2386
77 I A 1.1366
78 V A 0.0000
79 K A -0.9097
80 E A -1.8133
81 R A -1.9830
82 E A -2.6233
83 E A -3.2012
84 A A 0.0000
85 F A -1.5622
86 R A -3.2486
87 A A -2.1638
88 Y A 0.0000
89 D A -2.5712
90 D A -2.6969
91 A A 0.0000
92 V A 0.0000
93 T A -1.4582
94 A A -1.4829
95 G A 0.0000
96 H A -1.6233
97 G A 0.0000
98 A A 0.0000
99 A A 0.0000
100 L A 0.0000
101 L A 0.0000
102 D A 0.0000
103 E A -1.0668
104 E A -1.1186
105 R A -0.9775
106 S A -0.8297
107 N A 0.0000
108 V A 0.0000
109 F A 0.0000
110 T A 0.0000
111 A A 0.0000
112 Q A -0.2085
113 V A 0.0000
114 G A 0.0000
115 N A 0.0000
116 L A 0.0000
117 L A -1.2622
118 P A -1.6745
119 N A -2.4396
120 E A 0.0000
121 E A -2.3990
122 T A 0.0000
123 I A -1.1283
124 V A 0.0000
125 E A 0.0000
126 V A 0.0000
127 E A 0.0000
128 F A 0.0000
129 L A 0.0000
130 Q A 0.0000
131 A A -0.2463
132 V A 0.0000
133 T A -0.2712
134 A A -0.6302
135 E A -1.5842
136 E A -2.6150
137 G A -1.8029
138 S A -1.3333
139 V A 0.0000
140 R A 0.0000
141 W A 0.0000
142 M A 0.0000
143 L A 0.0000
144 P A -0.1765
145 T A 0.0000
146 L A 0.0000
147 V A 0.0000
148 A A 0.0000
149 P A 0.1015
150 R A 0.0000
151 Y A 0.3748
152 I A -0.2920
153 P A 0.0000
154 G A -1.5421
155 K A -2.3231
156 P A -1.9306
157 A A -1.7487
158 G A -2.1958
159 D A -2.9487
160 R A -2.9050
161 T A -1.7644
162 G A -1.5803
163 H A -1.3475
164 G A -1.0656
165 S A -0.8155
166 A A -1.2133
167 E A -2.7508
168 P A 0.0000
169 T A 0.0000
170 P A -1.1154
171 R A -1.3013
172 V A 0.0000
173 P A -1.4626
174 D A -1.5131
175 A A 0.0000
176 D A 0.0000
177 R A -1.4952
178 I A 0.0000
179 S A -0.5298
180 P A 0.0000
181 P A 0.0529
182 I A -0.1034
183 G A -1.2951
184 Q A -2.0268
185 V A 0.0000
186 Q A -1.4623
187 Y A 0.0000
188 G A 0.0000
189 L A 0.0000
190 R A -2.7829
191 M A 0.0000
192 D A -1.4906
193 L A 0.0000
194 L A -0.9782
195 V A 0.0000
196 D A -1.6023
197 L A -1.1071
198 G A -1.6946
199 R A -3.3465
200 E A -3.2633
201 V A 0.0000
202 I A 0.8167
203 V A 0.0000
204 E A -1.1095
205 S A -0.7609
206 P A -0.6444
207 S A -0.5149
208 H A -0.5696
209 A A -0.5406
210 I A -0.3632
211 T A -0.3713
212 V A -0.2007
213 T A -1.2821
214 R A -2.8901
215 E A -3.0192
216 S A -1.8066
217 G A -2.1508
218 T A -2.7095
219 R A -2.9401
220 A A 0.0000
221 R A -1.7125
222 V A 0.0000
223 S A -1.0884
224 F A 0.0000
225 S A -1.1644
226 R A -2.4804
227 G A -2.0866
228 E A -2.1888
229 V A 0.0000
230 S A -0.8561
231 L A 0.0000
232 D A -0.5948
233 R A -0.8060
234 D A 0.0000
235 L A 0.0000
236 V A 0.0000
237 L A 0.0000
238 S A 0.0000
239 L A 0.0000
240 R A -1.7656
241 S A -1.7023
242 S A -1.7398
243 D A -2.6507
244 T A -1.4385
245 S A -0.6514
246 A A 0.0163
247 V A -0.0618
248 F A 0.4392
249 T A 0.0031
250 P A -0.1256
251 L A -0.4335
252 A A -0.6970
253 T A 0.0000
254 H A -2.1181
255 R A 0.0000
256 K A -3.8997
257 G A -3.0482
258 D A -3.5138
259 K A -3.2326
260 P A -1.8456
261 G A 0.0000
262 T A 0.0000
263 F A 0.0000
264 A A -0.0096
265 L A 0.0000
266 T A 0.2248
267 V A 0.0000
268 V A 0.6743
269 P A 0.0000
270 D A -1.3190
271 L A 0.0000
272 L A 0.6956
273 G A 0.0540
274 M A -0.0724
275 A A 0.1500
276 S A -0.4742
277 A A -0.3335
278 P A -0.6677
279 P A -1.3241
280 K A -2.7043
281 Q A -2.0358
282 E A -2.0173
283 V A 0.0000
284 I A 0.0000
285 F A 0.0000
286 L A 0.0000
287 V A 0.0000
288 D A 0.0000
289 V A 0.0000
290 S A 0.0000
291 G A -1.2399
292 S A -0.9595
293 M A 0.0000
294 D A -2.4506
295 G A -2.0082
296 D A -2.6170
297 S A 0.0000
298 L A 0.0000
299 P A -1.4711
300 Q A -1.2074
301 A A 0.0000
302 Q A -0.3977
303 A A -0.4747
304 A A 0.0000
305 L A 0.0000
306 R A -0.8934
307 L A -0.9718
308 C A 0.0000
309 L A 0.0000
310 R A -2.3124
311 H A -1.6736
312 L A 0.0000
313 R A -2.5335
314 E A -2.9078
315 G A -2.2554
316 D A 0.0000
317 R A -2.0393
318 F A 0.0000
319 N A 0.0000
320 V A 0.0000
321 I A 0.0000
322 A A 0.0000
323 F A 0.0000
324 E A -0.6305
325 S A -0.6029
326 S A -0.2244
327 F A 0.4149
328 H A -0.2364
329 S A -0.0032
330 F A -0.1989
331 Q A -0.0774
332 P A 0.1706
333 L A 1.0153
334 P A -0.0036
335 V A 0.0000
336 P A -1.3990
337 F A -1.7790
338 T A -2.0927
339 Q A -2.9132
340 R A -3.1106
341 M A -2.0228
342 L A -2.5072
343 E A -3.2592
344 E A -3.4436
345 A A 0.0000
346 D A -2.1820
347 R A -2.6476
348 W A -1.2709
349 V A 0.0000
350 A A -0.9382
351 A A -0.7982
352 L A 0.0000
353 R A -2.1936
354 A A -1.8267
355 G A -1.3598
356 G A -0.8982
357 G A -0.6030
358 T A 0.0000
359 E A -0.3344
360 L A 0.0000
361 L A -0.2369
362 G A -0.0908
363 P A 0.0000
364 M A 0.0000
365 Q A -0.9753
366 T A -0.5468
367 A A 0.0000
368 A A 0.0000
369 R A -2.1282
370 T A -0.8352
371 A A 0.0000
372 P A -2.2370
373 D A -2.3420
374 G A 0.0000
375 V A 0.0000
376 L A 0.0000
377 V A 0.0000
378 L A 0.0000
379 L A 0.0000
380 T A 0.0000
381 D A -0.2880
382 G A -0.1635
383 Q A 0.0000
384 V A 0.0000
385 G A 0.0000
386 N A 0.0000
387 E A -1.5372
388 D A -2.7021
389 E A -1.9256
390 I A 0.0000
391 L A 0.0000
392 R A -2.3997
393 A A -1.3823
394 V A 0.0000
395 L A -0.9399
396 A A -1.1333
397 E A -1.8867
398 R A -2.1494
399 K A -2.6683
400 S A -1.7580
401 A A 0.0000
402 R A -1.1251
403 V A 0.0000
404 Y A 0.0000
405 S A 0.0000
406 F A 0.0000
407 G A 0.0000
408 I A 0.0000
409 G A -0.6676
410 T A -0.3975
411 N A 0.0000
412 V A 0.0000
413 S A 0.0000
414 D A 0.0000
415 A A -0.5154
416 L A 0.0000
417 L A 0.0000
418 R A -1.4027
419 D A -2.0676
420 M A 0.0000
421 A A 0.0000
422 K A -2.4808
423 Q A -1.6703
424 T A 0.0000
425 G A -1.1682
426 G A -0.9876
427 D A -0.8764
428 V A -0.2401
429 E A 0.0000
430 F A 0.1399
431 I A 0.0000
432 H A 0.0000
433 P A -1.1016
434 G A -1.1628
435 E A -1.8470
436 R A -2.9493
437 I A 0.0000
438 D A -2.4670
439 D A -2.8891
440 K A -1.8855
441 V A 0.0000
442 V A -0.4143
443 A A -0.8429
444 Q A 0.0000
445 F A 0.0000
446 S A -0.1856
447 R A -0.3827
448 A A 0.0000
449 L A -0.2388
450 A A -0.0846
451 P A -0.2927
452 R A -0.6637
453 I A 0.0000
454 T A -1.7389
455 E A -2.8114
456 L A 0.0000
457 Q A -1.9682
458 V A -0.0401
459 Y A -0.1868
460 F A -0.8321
461 D A -2.4660
462 G A -1.9332
463 V A -1.7685
464 E A -1.9574
465 G A -1.1423
466 A A -1.1525
467 E A -1.6603
468 L A -0.9383
469 A A 0.0000
470 P A -1.2489
471 G A -1.6805
472 E A -2.2509
473 L A -1.2460
474 P A -1.1647
475 P A -0.8681
476 M A 0.0000
477 V A 0.0000
478 D A -0.7640
479 G A -0.9399
480 M A -0.4246
481 P A 0.3628
482 W A 0.0000
483 T A 0.1506
484 L A 0.0000
485 L A 0.0000
486 G A 0.0000
487 R A -1.2554
488 Y A 0.0000
489 P A -1.2371
490 T A -1.0650
491 P A -1.2058
492 G A -1.1188
493 T A -1.9148
494 G A -2.3370
495 K A -2.5880
496 V A 0.0000
497 T A -0.6761
498 L A 0.0000
499 R A -1.7559
500 G A -2.3855
501 R A -2.8985
502 S A -1.9509
503 G A -2.2550
504 R A -2.8648
505 E A -2.3633
506 P A -1.7372
507 F A -1.2020
508 A A -0.4831
509 L A 0.0035
510 T A -0.3947
511 V A -0.8945
512 R A -2.7447
513 V A 0.0000
514 D A -2.4102
515 F A 0.0000
516 P A -1.4184
517 A A -2.0169
518 E A -3.2389
519 S A -2.6281
520 D A -3.2571
521 R A -2.7835
522 P A -1.7568
523 A A -1.1171
524 V A 0.0000
525 E A -0.8790
526 K A -1.0154
527 L A -0.3221
528 W A 0.0000
529 A A 0.0000
530 A A 0.0000
531 E A -1.0784
532 R A -1.1058
533 I A 0.0000
534 K A -1.1729
535 G A -1.1171
536 W A -0.6411
537 E A -0.8031
538 A A -0.3873
539 A A -0.0745
540 S A -0.2483
541 L A -0.9511
542 T A -1.4282
543 G A -2.3398
544 R A -3.6307
545 R A -3.6281
546 A A -2.9213
547 D A -3.9001
548 S A -3.1498
549 M A -2.5462
550 K A -2.9969
551 K A -3.2418
552 R A -2.7678
553 I A 0.0000
554 V A -1.7749
555 E A -2.1370
556 L A -1.3776
557 A A 0.0000
558 V A -0.6766
559 E A -1.8918
560 H A -1.1325
561 Q A -0.4712
562 I A 0.0000
563 V A 0.0000
564 T A 0.0000
565 R A -2.0384
566 Y A -1.2654
567 T A 0.0000
568 S A 0.0000
569 F A 0.0000
570 V A 0.0000
571 V A 0.0000
572 V A -0.3143
573 E A 0.0000
574 E A -2.0433
575 R A 0.0000
576 T A -1.8344
577 G A -2.0019
578 D A -2.7906
579 R A -2.4760
580 R A -3.0217
581 A A -1.8396
582 S A -1.4422
583 G A -1.5489
584 Q A -1.8714
585 P A -1.5212
586 E A -1.6960
587 T A -0.9555
588 R A -0.5106
589 V A 0.0477
590 V A 0.0000
591 P A 0.0000
592 V A 0.0000
593 N A -0.6872
594 A A -0.2577
595 P A 0.0000
596 A A -0.2327
597 G A -0.2249
598 W A 0.5592
599 A A 0.7708
600 M A 1.0469
601 F A 0.7056
602 G A -0.2969
603 T A -1.0004
604 Q A -2.4560
605 K A -3.6860
606 H A -3.5744
607 E A -4.1470
608 E A -3.4982
609 A A -1.8692
610 E A -1.7474
611 V A 0.8570
612 A A 0.9572
613 P A 1.2425
614 V A 2.3449
615 I A 1.7406
616 Q A -0.7868
617 R A -1.9384
618 P A -1.4512
619 G A -1.5944
620 A A -1.3984
621 R A -2.5283
622 G A -2.3676
623 R A -2.7761
624 G A -1.7745
625 G A -1.1520
626 S A -0.5608
627 A A 0.0940
628 P A 0.5720
629 V A 1.7081
630 A A 0.8802
631 A A 0.1253
632 G A -0.5931
633 P A -0.6475
634 P A -0.9634
635 S A -1.5500
636 R A -2.5883
637 Q A -2.2042
638 A A -1.0418
639 P A -0.6658
640 A A -0.5229
641 H A -0.5893
642 A A 0.6218
643 V A 2.1099
644 M A 1.9157
645 A A 0.8701
646 S A -0.0310
647 A A -0.3525
648 G A -0.7597
649 G A -0.8561
650 P A -0.7571
651 P A -0.6149
652 P A -0.4519
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Laboratory of Theory of Biopolymers 2018