Project name: FUS_model_1

Status: done

Started: 2026-02-09 16:05:43
Settings
Chain sequence(s) A: MASNDYTQQATQSYGAYPTQPGQGYSQQSSQPYGQQSYSGYSQSTDTSGYGQSSYSSYGQSQNTGYGTQSTPQGYGSTGGYGSSQSSQSSYGQQSSYPGYGQQPAPSSTSGSYGSSSQSSSYGQPQSGSYSQQPSYGGQQQSYGQQQSYNPPQGYGQQNQYNSSSGGGGGGGGGGNYGQDQSSMSSGGGSGGGYGNQDQSGGGGSGGYGQQDRGGRGRGGSGGGGGGGGGGYNRSSGGYEPRGRGGGRGGRGGMGGSDRGGFNKFGGPRDQGSRHDSEQDNSDNNTIFVQGLGENVTIESVADYFKQIGIIKTNKKTGQPMINLYTDRETGKLKGEATVSFDDPPSAKAAIDWFDGKEFSGNPIKVSFATRRADFNRGGGNGRGGRGRGGPMGRGGYGGGGSGGGGRGGFPSGGGGGGGQQRAGDWKCPNPTCENMNFSWRNECNQCKAPKPDGPGGGPGGSHMGGNYGDDRRGGRGGYDRGGYRGRGGDRGGFRGGRGGGDRGGFGPGKMDSRGEHRQDRRERPY
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                                          (00:04:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:33)
Show buried residues

Minimal score value
-5.0171
Maximal score value
1.3337
Average score
-1.3389
Total score value
-704.2634

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 1.0365
2 A A 0.1791
3 S A -0.9916
4 N A -2.0061
5 D A -1.8803
6 Y A -0.1473
7 T A -0.6696
8 Q A -1.6056
9 Q A -1.8404
10 A A -1.1039
11 T A -0.9178
12 Q A -1.0756
13 S A -0.3394
14 Y A 0.7611
15 G A 0.4177
16 A A 0.6818
17 Y A 1.0945
18 P A 0.2349
19 T A -0.5590
20 Q A -1.5427
21 P A -1.4267
22 G A -1.5856
23 Q A -1.4584
24 G A -0.6649
25 Y A 0.4708
26 S A -0.4190
27 Q A -1.6522
28 Q A -1.9811
29 S A -1.3934
30 S A -1.1906
31 Q A -1.2129
32 P A -0.4312
33 Y A 0.4568
34 G A -0.5866
35 Q A -1.8488
36 Q A -1.7805
37 S A -0.5115
38 Y A 0.7580
39 S A 0.4177
40 G A 0.2806
41 Y A 0.6995
42 S A -0.2928
43 Q A -1.1678
44 S A -1.3027
45 T A -1.3410
46 D A -1.9531
47 T A -1.1548
48 S A -0.6130
49 G A -0.0782
50 Y A 0.5362
51 G A -0.4454
52 Q A -1.2982
53 S A -0.7282
54 S A 0.0521
55 Y A 1.0135
56 S A 0.4872
57 S A 0.4793
58 Y A 0.6447
59 G A -0.4014
60 Q A -1.5281
61 S A -1.8352
62 Q A -2.3430
63 N A -2.1201
64 T A -0.9169
65 G A -0.3842
66 Y A 0.7970
67 G A -0.0839
68 T A -0.6505
69 Q A -1.4566
70 S A -0.9830
71 T A -0.8335
72 P A -1.0183
73 Q A -1.3069
74 G A -0.5710
75 Y A 0.5719
76 G A -0.0335
77 S A -0.2912
78 T A -0.6159
79 G A -0.5234
80 G A -0.1741
81 Y A 0.7185
82 G A -0.0695
83 S A -0.5137
84 S A -1.0663
85 Q A -1.4993
86 S A -1.2329
87 S A -1.2480
88 Q A -1.5090
89 S A -0.7245
90 S A -0.0409
91 Y A 0.6905
92 G A -0.7450
93 Q A -1.8723
94 Q A -2.1248
95 S A -0.8880
96 S A -0.0149
97 Y A 1.0512
98 P A 0.4604
99 G A 0.3065
100 Y A 0.6475
101 G A -0.7779
102 Q A -1.7827
103 Q A -2.0175
104 P A -1.2117
105 A A -0.5222
106 P A -0.5470
107 S A -0.4477
108 S A -0.4543
109 T A -0.4293
110 S A -0.5661
111 G A -0.3842
112 S A 0.0616
113 Y A 0.8333
114 G A -0.0218
115 S A -0.3276
116 S A -0.7618
117 S A -0.9988
118 Q A -1.5044
119 S A -1.0550
120 S A -0.3807
121 S A 0.1607
122 Y A 0.6521
123 G A -0.4126
124 Q A -1.5633
125 P A -1.6044
126 Q A -1.8150
127 S A -1.1605
128 G A -0.6998
129 S A 0.0193
130 Y A 0.7529
131 S A -0.5286
132 Q A -1.6862
133 Q A -1.8753
134 P A -0.9959
135 S A -0.1498
136 Y A 0.7063
137 G A -0.4143
138 G A -1.3075
139 Q A -2.4013
140 Q A -2.5261
141 Q A -1.8686
142 S A -0.5332
143 Y A 0.4131
144 G A -0.8510
145 Q A -2.0081
146 Q A -2.3851
147 Q A -2.0388
148 S A -0.9494
149 Y A 0.0772
150 N A -1.1551
151 P A -1.0071
152 P A -1.2300
153 Q A -1.5054
154 G A -0.5982
155 Y A 0.3351
156 G A -1.0966
157 Q A -2.0172
158 Q A -2.7090
159 N A -2.6148
160 Q A -1.8145
161 Y A -0.3979
162 N A -1.2503
163 S A -0.8195
164 S A -0.7684
165 S A -0.8372
166 G A -0.9875
167 G A -1.1261
168 G A -1.1172
169 G A -1.1151
170 G A -1.1204
171 G A -1.1290
172 G A -1.1321
173 G A -1.1307
174 G A -1.2971
175 G A -1.1942
176 N A -1.1017
177 Y A 0.0865
178 G A -0.9590
179 Q A -2.3874
180 D A -3.1782
181 Q A -2.4682
182 S A -1.1428
183 S A -0.1556
184 M A 0.6878
185 S A 0.1220
186 S A -0.5207
187 G A -0.8634
188 G A -1.0593
189 G A -1.0641
190 S A -0.8868
191 G A -1.0312
192 G A -0.7398
193 G A -0.2572
194 Y A 0.4681
195 G A -0.7007
196 N A -2.4227
197 Q A -3.1871
198 D A -3.3701
199 Q A -2.7976
200 S A -1.5939
201 G A -1.1930
202 G A -1.1118
203 G A -1.1332
204 G A -1.0136
205 S A -0.9022
206 G A -0.6536
207 G A -0.2479
208 Y A 0.5173
209 G A -0.7381
210 Q A -2.2436
211 Q A -3.2559
212 D A -3.7044
213 R A -3.3270
214 G A -2.4335
215 G A -2.0701
216 R A -2.7990
217 G A -2.6037
218 R A -2.8319
219 G A -1.7805
220 G A -1.3929
221 S A -0.8806
222 G A -1.0308
223 G A -1.1029
224 G A -1.1599
225 G A -1.1777
226 G A -1.1653
227 G A -1.1559
228 G A -1.1672
229 G A -1.1554
230 G A -0.7866
231 G A -0.4136
232 Y A -0.0114
233 N A -1.6220
234 R A -2.3634
235 S A -1.6850
236 S A -1.0292
237 G A -0.5735
238 G A -0.5101
239 Y A 0.0469
240 E A -1.8636
241 P A -1.9459
242 R A -3.0114
243 G A -2.7307
244 R A -2.7937
245 G A -1.8221
246 G A -1.7387
247 G A -1.7835
248 R A -2.4924
249 G A -2.1087
250 G A -2.1081
251 R A -2.5319
252 G A -1.6199
253 G A -0.7005
254 M A 0.3916
255 G A -0.5223
256 G A -1.1979
257 S A -1.9469
258 D A -3.1302
259 R A -2.9447
260 G A -1.7366
261 G A -1.0427
262 F A 0.5513
263 N A -0.8291
264 K A -1.1124
265 F A 0.3908
266 G A -0.8006
267 G A -1.2968
268 P A -1.9399
269 R A -3.2395
270 D A -3.5864
271 Q A -3.2427
272 G A -2.6254
273 S A -2.4893
274 R A -3.3594
275 H A -3.3038
276 D A -3.7510
277 S A -3.3882
278 E A -3.8009
279 Q A -3.6661
280 D A -3.5719
281 N A -2.8792
282 S A -2.4007
283 D A -3.0010
284 N A -2.4180
285 N A -1.9947
286 T A 0.0000
287 I A 0.0000
288 F A -0.2273
289 V A 0.0000
290 Q A -2.2174
291 G A -2.3446
292 L A 0.0000
293 G A -2.2449
294 E A -3.3136
295 N A -2.5734
296 V A 0.0000
297 T A -0.8712
298 I A -0.9792
299 E A -2.2478
300 S A -1.5501
301 V A 0.0000
302 A A 0.0000
303 D A -2.9729
304 Y A -1.7137
305 F A 0.0000
306 K A -2.0934
307 Q A -1.7923
308 I A -0.2021
309 G A -0.3099
310 I A 0.5519
311 I A 0.0000
312 K A -1.4282
313 T A -1.6163
314 N A -2.1973
315 K A -3.0428
316 K A -2.9325
317 T A -2.0217
318 G A -2.1914
319 Q A -2.2445
320 P A -1.1830
321 M A -0.9433
322 I A 0.0000
323 N A -0.8798
324 L A -0.3750
325 Y A -0.9017
326 T A -2.1049
327 D A -2.6626
328 R A -3.3750
329 E A -3.2151
330 T A -2.4764
331 G A -2.6008
332 K A -3.4223
333 L A -2.6022
334 K A -3.0848
335 G A 0.0000
336 E A -1.8463
337 A A 0.0000
338 T A 0.0000
339 V A 0.0000
340 S A -0.6136
341 F A 0.0000
342 D A -1.9727
343 D A -2.1141
344 P A -2.2058
345 P A -1.6356
346 S A 0.0000
347 A A 0.0000
348 K A -2.2324
349 A A -1.0167
350 A A 0.0000
351 I A -1.1657
352 D A -1.7549
353 W A -0.2542
354 F A 0.0000
355 D A -2.5038
356 G A -2.6507
357 K A -3.1449
358 E A -3.5158
359 F A 0.0000
360 S A -1.4978
361 G A -1.7654
362 N A -2.4199
363 P A -2.8042
364 I A 0.0000
365 K A -3.0989
366 V A 0.0000
367 S A -0.8524
368 F A -0.3421
369 A A 0.0000
370 T A -1.5653
371 R A -2.9696
372 R A -2.9281
373 A A -2.3023
374 D A -2.7977
375 F A -0.6060
376 N A -2.3910
377 R A -3.1434
378 G A -2.1690
379 G A -2.0082
380 G A -2.3769
381 N A -2.6707
382 G A -2.3588
383 R A -3.0508
384 G A -2.4994
385 G A -2.5667
386 R A -3.1560
387 G A -2.6407
388 R A -2.9506
389 G A -1.8712
390 G A -1.1404
391 P A -0.5870
392 M A 0.1139
393 G A -1.1343
394 R A -2.1951
395 G A -1.4324
396 G A -0.6599
397 Y A 0.6425
398 G A -0.1634
399 G A -0.7851
400 G A -1.0996
401 G A -1.0591
402 S A -0.9038
403 G A -1.1063
404 G A -1.1658
405 G A -1.4804
406 G A -1.9138
407 R A -2.3235
408 G A -1.2726
409 G A -0.2901
410 F A 1.1842
411 P A 0.2963
412 S A -0.3424
413 G A -0.7583
414 G A -1.0742
415 G A -1.2044
416 G A -1.2011
417 G A -1.2920
418 G A -1.6502
419 G A -1.9667
420 Q A -2.5188
421 Q A -2.3566
422 R A -2.0586
423 A A -1.0530
424 G A -0.5821
425 D A -0.4482
426 W A 0.0000
427 K A -2.0912
428 C A 0.0000
429 P A -1.5398
430 N A -1.6066
431 P A -1.2906
432 T A -0.8084
433 C A -1.7920
434 E A -2.6383
435 N A -2.0096
436 M A -0.6631
437 N A 0.0000
438 F A 0.8355
439 S A 0.1879
440 W A 0.8428
441 R A -1.0178
442 N A -2.6353
443 E A -3.2402
444 C A 0.0000
445 N A -2.6248
446 Q A -2.5483
447 C A -2.0282
448 K A -3.1063
449 A A -2.1849
450 P A -2.5555
451 K A -3.0258
452 P A -2.3254
453 D A -2.7522
454 G A -1.9076
455 P A -1.3383
456 G A -1.3524
457 G A -1.5510
458 G A -1.3752
459 P A -0.9392
460 G A -1.1572
461 G A -1.0601
462 S A -0.8250
463 H A -0.9512
464 M A 0.1051
465 G A -0.7602
466 G A -0.9030
467 N A -1.0688
468 Y A -0.1904
469 G A -1.5955
470 D A -3.0431
471 D A -4.0157
472 R A -4.1698
473 R A -3.5109
474 G A -2.7945
475 G A -2.1706
476 R A -2.3852
477 G A -1.7038
478 G A -1.0246
479 Y A -0.4608
480 D A -2.3240
481 R A -2.7968
482 G A -1.7845
483 G A -0.8010
484 Y A -0.0156
485 R A -1.9258
486 G A -2.2142
487 R A -2.8318
488 G A -2.1181
489 G A -2.4216
490 D A -3.1391
491 R A -3.1777
492 G A -1.7474
493 G A -0.5529
494 F A 0.5501
495 R A -1.3509
496 G A -1.6826
497 G A -1.9553
498 R A -2.5987
499 G A -2.0038
500 G A -1.8317
501 G A -2.3145
502 D A -3.1515
503 R A -3.1976
504 G A -1.7776
505 G A -0.2826
506 F A 1.3337
507 G A 0.1349
508 P A -0.6308
509 G A -1.5023
510 K A -1.9828
511 M A -1.0396
512 D A -2.3637
513 S A -2.4219
514 R A -3.0478
515 G A -3.0849
516 E A -3.8881
517 H A -3.7780
518 R A -4.4429
519 Q A -4.5735
520 D A -4.8604
521 R A -5.0171
522 R A -5.0021
523 E A -4.4571
524 R A -3.2902
525 P A -1.1770
526 Y A 0.5763
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Laboratory of Theory of Biopolymers 2018