Project name: FUS_model_1

Status: done

Started: 2026-02-09 15:37:54
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]                                                (00:00:08)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:08)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:08)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:08)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:08)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:17)
Show buried residues

Minimal score value
-4.7915
Maximal score value
1.3329
Average score
-1.3381
Total score value
-703.8426

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 1.0342
2 A A -0.0176
3 S A -0.9735
4 N A -2.0970
5 D A -1.9259
6 Y A -0.1383
7 T A -0.5469
8 Q A -1.5322
9 Q A -1.8076
10 A A -1.1942
11 T A -1.1172
12 Q A -1.0882
13 S A -0.2830
14 Y A 0.8351
15 G A 0.4068
16 A A 0.6679
17 Y A 1.2331
18 P A 0.0702
19 T A -0.5594
20 Q A -1.6615
21 P A -1.4512
22 G A -1.5664
23 Q A -1.5282
24 G A -0.6844
25 Y A 0.4355
26 S A -0.5884
27 Q A -1.7396
28 Q A -1.9981
29 S A -1.5532
30 S A -1.4212
31 Q A -1.2101
32 P A -0.4612
33 Y A 0.4614
34 G A -0.7344
35 Q A -1.8435
36 Q A -1.7135
37 S A -0.4735
38 Y A 0.8440
39 S A 0.4314
40 G A 0.3403
41 Y A 0.8308
42 S A -0.2930
43 Q A -1.1688
44 S A -1.2947
45 T A -1.3568
46 D A -1.9524
47 T A -1.1682
48 S A -0.5816
49 G A -0.1478
50 Y A 0.5603
51 G A -0.5794
52 Q A -1.2239
53 S A -0.7037
54 S A -0.0461
55 Y A 1.0349
56 S A 0.5907
57 S A 0.3736
58 Y A 0.7640
59 G A -0.6451
60 Q A -1.7132
61 S A -1.7167
62 Q A -2.3594
63 N A -2.0883
64 T A -0.9449
65 G A -0.4372
66 Y A 0.6680
67 G A -0.1216
68 T A -0.7280
69 Q A -1.4575
70 S A -0.9742
71 T A -0.8391
72 P A -1.0204
73 Q A -1.3208
74 G A -0.6037
75 Y A 0.5546
76 G A 0.0502
77 S A -0.2987
78 T A -0.6254
79 G A -0.5343
80 G A -0.1815
81 Y A 0.6932
82 G A 0.0304
83 S A -0.5148
84 S A -1.0638
85 Q A -1.5012
86 S A -1.2161
87 S A -1.2121
88 Q A -1.5031
89 S A -0.7306
90 S A -0.0340
91 Y A 0.6432
92 G A -0.5965
93 Q A -1.8825
94 Q A -2.1265
95 S A -0.8986
96 S A -0.1944
97 Y A 1.0337
98 P A 0.4041
99 G A 0.2554
100 Y A 0.6895
101 G A -0.7029
102 Q A -1.8271
103 Q A -2.0517
104 P A -1.1864
105 A A -0.4750
106 P A -0.4300
107 S A -0.4560
108 S A -0.4599
109 T A -0.4151
110 S A -0.5640
111 G A -0.4281
112 S A 0.0172
113 Y A 0.8066
114 G A 0.0921
115 S A -0.3088
116 S A -0.7827
117 S A -0.9914
118 Q A -1.5070
119 S A -1.0521
120 S A -0.4182
121 S A 0.1998
122 Y A 0.6927
123 G A -0.5092
124 Q A -1.5744
125 P A -1.6727
126 Q A -1.8033
127 S A -1.1614
128 G A -0.6991
129 S A 0.1307
130 Y A 0.7490
131 S A -0.3689
132 Q A -1.6714
133 Q A -2.0189
134 P A -1.0274
135 S A -0.1645
136 Y A 0.8057
137 G A -0.3191
138 G A -1.2625
139 Q A -2.4193
140 Q A -2.6408
141 Q A -1.9568
142 S A -0.5338
143 Y A 0.2945
144 G A -0.6135
145 Q A -1.9992
146 Q A -2.2912
147 Q A -1.9206
148 S A -0.6982
149 Y A 0.0959
150 N A -0.8742
151 P A -1.0258
152 P A -1.1967
153 Q A -1.3494
154 G A -0.5834
155 Y A 0.3639
156 G A -0.7771
157 Q A -2.1689
158 Q A -2.7731
159 N A -2.4937
160 Q A -1.9610
161 Y A -0.4027
162 N A -1.0299
163 S A -0.8944
164 S A -0.7053
165 S A -0.7770
166 G A -0.9634
167 G A -1.1115
168 G A -1.1847
169 G A -1.1419
170 G A -1.1398
171 G A -1.1406
172 G A -1.1380
173 G A -1.1376
174 G A -1.3080
175 G A -1.2391
176 N A -1.0956
177 Y A 0.0670
178 G A -1.0531
179 Q A -2.3867
180 D A -3.1870
181 Q A -2.4700
182 S A -1.1104
183 S A -0.1175
184 M A 0.6864
185 S A 0.0590
186 S A -0.4294
187 G A -0.8740
188 G A -1.0467
189 G A -1.0542
190 S A -0.9114
191 G A -1.0451
192 G A -0.7782
193 G A -0.2991
194 Y A 0.4044
195 G A -0.8650
196 N A -2.2918
197 Q A -3.2292
198 D A -3.4085
199 Q A -2.6032
200 S A -1.5790
201 G A -1.1935
202 G A -1.1049
203 G A -1.0790
204 G A -1.0030
205 S A -0.8902
206 G A -0.6545
207 G A -0.2478
208 Y A 0.4924
209 G A -0.7597
210 Q A -2.0883
211 Q A -3.2727
212 D A -3.7160
213 R A -3.3153
214 G A -2.4307
215 G A -2.1372
216 R A -2.8381
217 G A -2.6191
218 R A -2.8172
219 G A -1.7913
220 G A -1.3462
221 S A -0.8865
222 G A -1.0293
223 G A -1.1235
224 G A -1.1611
225 G A -1.1565
226 G A -1.1619
227 G A -1.1584
228 G A -1.1758
229 G A -1.1571
230 G A -0.7705
231 G A -0.4604
232 Y A -0.0534
233 N A -1.7305
234 R A -2.3754
235 S A -1.7297
236 S A -1.0618
237 G A -0.6138
238 G A -0.4958
239 Y A 0.0521
240 E A -1.8091
241 P A -1.9466
242 R A -3.0140
243 G A -2.5435
244 R A -2.8446
245 G A -1.8312
246 G A -1.7929
247 G A -1.8480
248 R A -2.4967
249 G A -2.1344
250 G A -2.1720
251 R A -2.5202
252 G A -1.5669
253 G A -0.7379
254 M A 0.3859
255 G A -0.2858
256 G A -1.0194
257 S A -1.9315
258 D A -3.0715
259 R A -2.9083
260 G A -1.6920
261 G A -0.8748
262 F A 0.5267
263 N A -0.8373
264 K A -1.0623
265 F A 0.6280
266 G A -0.6923
267 G A -1.4292
268 P A -2.0142
269 R A -3.4782
270 D A -3.5942
271 Q A -3.2451
272 G A -2.6316
273 S A -2.5088
274 R A -3.3306
275 H A -3.2915
276 D A -3.7477
277 S A -3.3067
278 E A -3.7790
279 Q A -3.6242
280 D A -3.5111
281 N A -2.7502
282 S A -2.2951
283 D A -3.0017
284 N A -2.3632
285 N A -2.0085
286 T A -1.1075
287 I A 0.0000
288 F A -0.0318
289 V A 0.0000
290 Q A -1.8532
291 G A -2.0766
292 L A 0.0000
293 G A -2.0794
294 E A -3.1596
295 N A -2.3113
296 V A -1.2123
297 T A -0.8598
298 I A -0.9495
299 E A -2.2709
300 S A -1.7287
301 V A 0.0000
302 A A 0.0000
303 D A -2.9806
304 Y A -1.7606
305 F A 0.0000
306 K A -2.1244
307 Q A -1.8441
308 I A -0.2837
309 G A -0.4375
310 I A 0.5303
311 I A -0.6803
312 K A -1.2678
313 T A -1.4939
314 N A -2.1638
315 K A -3.0363
316 K A -2.9498
317 T A -2.0307
318 G A -2.1867
319 Q A -2.2305
320 P A -1.0543
321 M A -0.7786
322 I A 0.0000
323 N A -0.5372
324 L A -0.2448
325 Y A -0.8487
326 T A -2.1513
327 D A -2.8494
328 R A -3.4655
329 E A -3.2634
330 T A -2.5160
331 G A -2.6364
332 K A -3.4104
333 L A -2.5427
334 K A -2.8421
335 G A 0.0000
336 E A -1.3654
337 A A 0.0000
338 T A -0.0730
339 V A 0.0000
340 S A 0.0000
341 F A 0.0000
342 D A -2.1705
343 D A -2.6618
344 P A -2.4076
345 P A -1.7818
346 S A -1.2904
347 A A 0.0000
348 K A -1.9679
349 A A -0.8963
350 A A 0.0000
351 I A -1.1007
352 D A -1.6946
353 W A -0.2605
354 F A 0.0000
355 D A -2.5198
356 G A -2.7152
357 K A -3.2328
358 E A -3.5923
359 F A 0.0000
360 S A -1.4993
361 G A -1.8184
362 N A -2.5118
363 P A -2.8545
364 I A 0.0000
365 K A -3.0054
366 V A 0.0000
367 S A -0.7500
368 F A -0.2028
369 A A 0.0000
370 T A -1.5443
371 R A -3.0293
372 R A -3.0073
373 A A -2.1513
374 D A -2.7923
375 F A -0.6488
376 N A -2.3614
377 R A -2.9952
378 G A -2.0899
379 G A -1.8167
380 G A -2.3594
381 N A -2.6520
382 G A -2.3514
383 R A -3.0526
384 G A -2.4585
385 G A -2.5025
386 R A -3.2090
387 G A -2.6429
388 R A -2.9722
389 G A -1.9920
390 G A -1.1192
391 P A -0.3918
392 M A 0.1599
393 G A -1.0744
394 R A -2.1535
395 G A -1.4702
396 G A -0.5431
397 Y A 0.6291
398 G A -0.1544
399 G A -0.7260
400 G A -1.0738
401 G A -1.0582
402 S A -0.8876
403 G A -1.0504
404 G A -1.1527
405 G A -1.4782
406 G A -1.8676
407 R A -2.3121
408 G A -1.3018
409 G A -0.3506
410 F A 1.1613
411 P A 0.2333
412 S A -0.2356
413 G A -0.7602
414 G A -1.1081
415 G A -1.1967
416 G A -1.2877
417 G A -1.3243
418 G A -1.6391
419 G A -1.9916
420 Q A -2.5974
421 Q A -2.5349
422 R A -2.3497
423 A A -1.2142
424 G A -0.9580
425 D A -1.0090
426 W A 0.0000
427 K A -2.2912
428 C A 0.0000
429 P A -1.5191
430 N A -1.5740
431 P A -1.2758
432 T A -0.7881
433 C A -1.7481
434 E A -2.6123
435 N A -1.9408
436 M A -0.9445
437 N A 0.0000
438 F A -0.0038
439 S A -0.2924
440 W A 0.4791
441 R A -1.2799
442 N A -2.4803
443 E A -3.0078
444 C A 0.0000
445 N A -2.6596
446 Q A -2.4731
447 C A -1.9605
448 K A -2.9818
449 A A -2.0750
450 P A -2.4440
451 K A -2.8846
452 P A -2.3210
453 D A -2.5288
454 G A -1.8483
455 P A -1.3220
456 G A -1.3676
457 G A -1.4420
458 G A -1.1475
459 P A -1.0117
460 G A -1.1655
461 G A -1.0442
462 S A -0.8013
463 H A -0.9374
464 M A -0.0576
465 G A -0.6244
466 G A -0.8577
467 N A -0.9647
468 Y A -0.0783
469 G A -1.4077
470 D A -3.0041
471 D A -4.0987
472 R A -4.1751
473 R A -3.5130
474 G A -2.4747
475 G A -2.1822
476 R A -2.5198
477 G A -1.6202
478 G A -1.0017
479 Y A -0.3064
480 D A -2.4244
481 R A -2.8389
482 G A -1.6950
483 G A -1.0452
484 Y A -0.0477
485 R A -2.0178
486 G A -2.2586
487 R A -2.8298
488 G A -2.4353
489 G A -2.4838
490 D A -3.1418
491 R A -3.1874
492 G A -1.7324
493 G A -0.6292
494 F A 0.6334
495 R A -1.3964
496 G A -1.7215
497 G A -2.1129
498 R A -2.5341
499 G A -1.9665
500 G A -1.7911
501 G A -2.1389
502 D A -3.1897
503 R A -3.1777
504 G A -1.7504
505 G A -0.5329
506 F A 1.3329
507 G A 0.1159
508 P A -0.6680
509 G A -1.3577
510 K A -1.8638
511 M A -0.8434
512 D A -2.1549
513 S A -1.9111
514 R A -3.1027
515 G A -2.8828
516 E A -3.5753
517 H A -3.6689
518 R A -3.9587
519 Q A -4.2409
520 D A -4.5910
521 R A -4.7323
522 R A -4.7915
523 E A -4.3159
524 R A -3.1623
525 P A -1.1783
526 Y A 0.5559
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018