Project name: VM1

Status: done

Started: 2026-06-16 16:33:15
Settings
Chain sequence(s) A: MSHQPLSCLTEKEDSPSESTGNGPPHLAHPNLDTFTPEELLQQMKELLTENHQLKEAMKLNNQAMKGRFEELSAWTEKQKEERQFFEIQSKEAKERLMALSHENEKLKEELGKLKGKSERSSEDPTDDSRLPRAEAEQEKDQLRTQVVRLQAEKADLLGIVSELQLKLNSSGSSEDSFVEIRMAEGEAEGSVKEIKHSPGPTRTVSTGTALSKYRSRSADGAKNYFEHEELTVSQLLLCLREGNQKVERLEVALKEAKERVSDFEKKTSNRSEIETQTEGSTEKENDEEKGPETVGSEVEALNLQVTSLFKELQEAHTKLSEAELMKKRLQEKCQALERKNSAIPSELNEKQELVYTNKKLELQVESMLSEIKMEQAKTEDEKSKLTVLQMTHNKLLQEHNNALKTIEELTRKESEKVDRAVLKELSEKLELAEKALASKQLQMDEMKQTIAKQEEDLETMTILRAQMEVYCSDFHAERAAREKIHEEKEQLALQLAVLLKENDAFEDGGRQSLMEMQSRHGARTSDSDQQAYLVQRGAEDRDWRQQRNIPIHSCPKCGEVLPDIDTLQIHVMDCII
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                                          (00:19:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:19:33)
Show buried residues

Minimal score value
-5.5664
Maximal score value
2.7297
Average score
-1.697
Total score value
-979.1433

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 0.5742
2 S A -0.5542
3 H A -1.3012
4 Q A -1.4244
5 P A -0.3405
6 L A 1.3201
7 S A 0.9904
8 C A 1.5340
9 L A 1.3647
10 T A -0.6195
11 E A -2.7660
12 K A -3.8587
13 E A -4.0821
14 D A -3.4891
15 S A -2.1471
16 P A -1.6119
17 S A -1.5727
18 E A -2.2068
19 S A -1.5432
20 T A -1.4027
21 G A -1.6201
22 N A -1.8699
23 G A -1.5650
24 P A -0.9845
25 P A -0.7114
26 H A -0.6215
27 L A 0.6977
28 A A -0.2533
29 H A -0.9955
30 P A -0.9056
31 N A -1.4927
32 L A -0.1104
33 D A -1.3968
34 T A -0.5938
35 F A -0.1485
36 T A -0.8082
37 P A -1.3523
38 E A -2.2765
39 E A -2.3025
40 L A -0.7875
41 L A -0.6191
42 Q A -2.2007
43 Q A -1.4616
44 M A -0.2840
45 K A -1.8506
46 E A -2.1093
47 L A -0.3459
48 L A -0.2024
49 T A -1.7733
50 E A -2.8410
51 N A -2.5890
52 H A -2.7462
53 Q A -2.8550
54 L A -1.7270
55 K A -3.1220
56 E A -2.8736
57 A A -1.4858
58 M A -1.2043
59 K A -2.3680
60 L A -0.8151
61 N A -1.9869
62 N A -2.5342
63 Q A -2.1543
64 A A -1.4639
65 M A -1.4171
66 K A -2.0267
67 G A -1.9772
68 R A -1.5842
69 F A 0.0477
70 E A -1.7082
71 E A -1.1829
72 L A -0.1783
73 S A -0.8950
74 A A -1.3064
75 W A -0.8013
76 T A -2.2617
77 E A -3.9522
78 K A -4.4270
79 Q A -4.4989
80 K A -5.1859
81 E A -4.8870
82 E A -4.1097
83 R A -3.9790
84 Q A -2.6594
85 F A -0.2911
86 F A -0.0495
87 E A -1.9864
88 I A -0.7117
89 Q A -1.8423
90 S A -2.4981
91 K A -3.7414
92 E A -4.1586
93 A A -3.2883
94 K A -3.5967
95 E A -3.9396
96 R A -2.9560
97 L A -0.7616
98 M A -0.9240
99 A A -1.3358
100 L A -1.1093
101 S A -1.5264
102 H A -2.8238
103 E A -3.4342
104 N A -3.5904
105 E A -4.6556
106 K A -4.6007
107 L A -3.0354
108 K A -4.0678
109 E A -4.7170
110 E A -3.7402
111 L A -2.2213
112 G A -2.9768
113 K A -3.3546
114 L A -1.8629
115 K A -3.3187
116 G A -3.2961
117 K A -3.5392
118 S A -3.0666
119 E A -4.2360
120 R A -4.5526
121 S A -3.1845
122 S A -3.0813
123 E A -3.7666
124 D A -3.5144
125 P A -2.3517
126 T A -2.3019
127 D A -3.4152
128 D A -3.0691
129 S A -2.5103
130 R A -2.8114
131 L A -1.0551
132 P A -2.0667
133 R A -3.3415
134 A A -3.0827
135 E A -4.1294
136 A A -3.8452
137 E A -4.7688
138 Q A -5.2289
139 E A -5.1172
140 K A -4.6255
141 D A -4.8172
142 Q A -3.4680
143 L A -1.8802
144 R A -2.3151
145 T A -1.4348
146 Q A -0.6967
147 V A 0.9132
148 V A 0.6464
149 R A -1.2344
150 L A -0.5080
151 Q A -1.2448
152 A A -1.5314
153 E A -2.4647
154 K A -1.7911
155 A A -1.1314
156 D A -1.2450
157 L A 0.6744
158 L A 1.4239
159 G A 0.5415
160 I A 2.2465
161 V A 1.9206
162 S A 0.7255
163 E A -0.1689
164 L A 0.8913
165 Q A 0.0161
166 L A 0.2810
167 K A -1.0707
168 L A 0.0722
169 N A -1.1089
170 S A -0.8414
171 S A -1.1307
172 G A -1.1802
173 S A -1.4177
174 S A -1.8117
175 E A -2.6965
176 D A -2.1193
177 S A -0.4257
178 F A 1.6611
179 V A 1.8273
180 E A 0.1126
181 I A 1.2493
182 R A -0.7994
183 M A -0.0216
184 A A -0.9049
185 E A -2.3569
186 G A -2.0811
187 E A -2.8756
188 A A -1.9775
189 E A -2.4742
190 G A -1.2645
191 S A -0.2865
192 V A 0.3121
193 K A -1.3766
194 E A -1.6752
195 I A -0.3468
196 K A -1.6668
197 H A -1.6257
198 S A -1.3742
199 P A -0.8811
200 G A -1.0939
201 P A -1.0901
202 T A -1.0485
203 R A -1.6035
204 T A -0.2178
205 V A 1.1108
206 S A 0.2794
207 T A 0.3844
208 G A 0.0729
209 T A -0.0849
210 A A 0.1636
211 L A 0.8401
212 S A -0.8191
213 K A -1.8330
214 Y A -0.6705
215 R A -2.3794
216 S A -2.5527
217 R A -3.4455
218 S A -2.4711
219 A A -2.5337
220 D A -3.2276
221 G A -1.9676
222 A A -1.4876
223 K A -2.7182
224 N A -2.2978
225 Y A -0.5424
226 F A -0.4534
227 E A -2.2322
228 H A -1.7655
229 E A -1.7765
230 E A -1.5808
231 L A 0.1404
232 T A 0.2281
233 V A 1.2542
234 S A 1.0919
235 Q A 0.7885
236 L A 2.5558
237 L A 2.3706
238 L A 0.9277
239 C A 0.7739
240 L A 0.2513
241 R A -2.1456
242 E A -2.8950
243 G A -2.2427
244 N A -3.2976
245 Q A -4.1618
246 K A -3.7493
247 V A -1.8171
248 E A -2.8210
249 R A -2.5734
250 L A -0.6923
251 E A -1.1872
252 V A 0.0335
253 A A -0.4456
254 L A -0.7926
255 K A -2.2672
256 E A -2.4153
257 A A -2.0827
258 K A -2.8490
259 E A -3.7883
260 R A -2.9876
261 V A -1.1859
262 S A -2.3595
263 D A -2.8812
264 F A -1.1539
265 E A -3.0584
266 K A -3.8078
267 K A -3.6033
268 T A -3.1515
269 S A -3.0966
270 N A -3.7265
271 R A -3.8225
272 S A -2.7409
273 E A -2.5270
274 I A -0.8906
275 E A -2.2895
276 T A -1.5856
277 Q A -1.8968
278 T A -1.9334
279 E A -2.4826
280 G A -1.7678
281 S A -1.3009
282 T A -1.7839
283 E A -3.1684
284 K A -3.7768
285 E A -4.1254
286 N A -3.7992
287 D A -4.1186
288 E A -4.2160
289 E A -4.0879
290 K A -3.5703
291 G A -2.2929
292 P A -1.5698
293 E A -2.1152
294 T A -0.7651
295 V A 0.5873
296 G A -0.3535
297 S A -0.9289
298 E A -0.9465
299 V A 0.6513
300 E A -0.9724
301 A A -0.0422
302 L A 0.8560
303 N A -0.1822
304 L A 1.1080
305 Q A 0.6955
306 V A 0.8744
307 T A 0.8021
308 S A 0.2590
309 L A 0.6589
310 F A 1.0955
311 K A -1.9344
312 E A -2.0824
313 L A -0.5542
314 Q A -2.2979
315 E A -3.1748
316 A A -2.1417
317 H A -2.4357
318 T A -2.5886
319 K A -2.8212
320 L A -1.3940
321 S A -2.0718
322 E A -2.9387
323 A A -2.5060
324 E A -3.0937
325 L A -2.1958
326 M A -2.2114
327 K A -3.8117
328 K A -4.2474
329 R A -3.7950
330 L A -2.1281
331 Q A -3.1046
332 E A -4.0610
333 K A -3.4443
334 C A -2.2169
335 Q A -3.0504
336 A A -2.6747
337 L A -2.5063
338 E A -3.7921
339 R A -3.8741
340 K A -3.3329
341 N A -2.9720
342 S A -2.3089
343 A A -1.4891
344 I A -0.8860
345 P A -0.9820
346 S A -1.5896
347 E A -2.3165
348 L A -1.1136
349 N A -2.7239
350 E A -3.3014
351 K A -2.5137
352 Q A -1.9052
353 E A -2.2116
354 L A -0.3361
355 V A 0.3068
356 Y A 0.0058
357 T A -0.5153
358 N A -1.2656
359 K A -1.5750
360 K A -1.6971
361 L A -0.6916
362 E A -2.1166
363 L A -0.7262
364 Q A -1.2049
365 V A -0.5829
366 E A -1.3454
367 S A -0.7361
368 M A -0.0327
369 L A 0.4608
370 S A -0.9833
371 E A -1.6763
372 I A -0.8096
373 K A -1.9885
374 M A -1.6712
375 E A -3.3980
376 Q A -3.7193
377 A A -3.5708
378 K A -4.5487
379 T A -4.5428
380 E A -5.0281
381 D A -5.3503
382 E A -4.8039
383 K A -3.8286
384 S A -2.7798
385 K A -2.2569
386 L A -0.3539
387 T A -0.1187
388 V A 1.0070
389 L A 0.9581
390 Q A -0.5143
391 M A -0.0138
392 T A -0.2124
393 H A -1.3657
394 N A -2.1385
395 K A -2.6420
396 L A -1.3511
397 L A -1.1043
398 Q A -2.9413
399 E A -3.4871
400 H A -2.5846
401 N A -2.8146
402 N A -2.7709
403 A A -1.5073
404 L A -0.4951
405 K A -2.1779
406 T A -0.8722
407 I A 0.7286
408 E A -2.0272
409 E A -2.5184
410 L A -0.8108
411 T A -2.3104
412 R A -3.8595
413 K A -3.7606
414 E A -4.1707
415 S A -3.7688
416 E A -4.4427
417 K A -4.2322
418 V A -2.6988
419 D A -3.2979
420 R A -2.9572
421 A A -1.4886
422 V A -0.6797
423 L A -0.8682
424 K A -2.7101
425 E A -2.8792
426 L A -0.7709
427 S A -1.4277
428 E A -3.0240
429 K A -2.4385
430 L A -1.0692
431 E A -2.3498
432 L A -0.6679
433 A A -0.9011
434 E A -2.3457
435 K A -2.2888
436 A A -0.7672
437 L A -0.3954
438 A A -0.8074
439 S A -1.1193
440 K A -2.2061
441 Q A -1.5932
442 L A -0.5677
443 Q A -1.9630
444 M A -1.7702
445 D A -2.4985
446 E A -2.9117
447 M A -1.6566
448 K A -2.6559
449 Q A -3.1250
450 T A -2.1782
451 I A -1.6510
452 A A -2.6317
453 K A -3.8437
454 Q A -3.5630
455 E A -3.9666
456 E A -4.3115
457 D A -3.4323
458 L A -1.7197
459 E A -2.5679
460 T A -0.8862
461 M A -0.0839
462 T A 0.1276
463 I A 1.5663
464 L A 1.2969
465 R A -0.7708
466 A A 0.0203
467 Q A 0.0491
468 M A 0.1484
469 E A -0.8397
470 V A 0.6524
471 Y A 0.8056
472 C A 0.0017
473 S A -0.8864
474 D A -1.6300
475 F A -0.9281
476 H A -1.8749
477 A A -2.3111
478 E A -3.7529
479 R A -3.5591
480 A A -3.0060
481 A A -3.1330
482 R A -4.6402
483 E A -5.0872
484 K A -5.0053
485 I A -3.8571
486 H A -4.8894
487 E A -5.5664
488 E A -4.8837
489 K A -4.3183
490 E A -3.8169
491 Q A -2.5029
492 L A -0.3189
493 A A 0.1194
494 L A 1.4741
495 Q A 1.2525
496 L A 2.4640
497 A A 1.8511
498 V A 1.7419
499 L A 1.3450
500 L A 0.9468
501 K A -1.6051
502 E A -1.6590
503 N A -2.2329
504 D A -3.1290
505 A A -2.3422
506 F A -1.3576
507 E A -3.7501
508 D A -3.3033
509 G A -2.0075
510 G A -2.1213
511 R A -2.7197
512 Q A -2.4387
513 S A -1.4773
514 L A -0.1822
515 M A -0.9773
516 E A -2.3050
517 M A -1.0966
518 Q A -1.8392
519 S A -2.3416
520 R A -2.7779
521 H A -2.7774
522 G A -2.4677
523 A A -1.8994
524 R A -2.4157
525 T A -1.6793
526 S A -1.8523
527 D A -2.9556
528 S A -2.4915
529 D A -3.3051
530 Q A -2.8845
531 Q A -1.5196
532 A A -0.0528
533 Y A 1.7004
534 L A 1.9820
535 V A 1.1358
536 Q A -1.2295
537 R A -2.5634
538 G A -2.4802
539 A A -2.4705
540 E A -3.7936
541 D A -3.8178
542 R A -4.2527
543 D A -3.7964
544 W A -2.3583
545 R A -3.6108
546 Q A -3.6280
547 Q A -3.2223
548 R A -2.9192
549 N A -1.6553
550 I A 1.1605
551 P A 1.2576
552 I A 2.4998
553 H A 1.1632
554 S A 0.6449
555 C A 0.0000
556 P A -0.8691
557 K A -1.4901
558 C A -0.5149
559 G A -1.1507
560 E A -1.3451
561 V A 1.1404
562 L A 0.0000
563 P A 0.0888
564 D A -0.2161
565 I A 0.8481
566 D A -1.0774
567 T A -0.1494
568 L A 0.1186
569 Q A -0.4194
570 I A 1.0511
571 H A -0.0892
572 V A 0.3931
573 M A 1.6062
574 D A 0.2353
575 C A 1.0188
576 I A 2.5421
577 I A 2.7297
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Laboratory of Theory of Biopolymers 2018