Project name: FUS

Chain sequence(s)	A: MKSNQERSNECLPPKKREIPATSRSSEEKAPTLPSDNHRVEGTAWLPGNPGGRGHGGGRHGPAGTSVELGLQQGIGLHKALSTGLDYSPPSAPRSVPVATTLPAAYATPQPGTPVSPVQYAHLPHTFQFIGSSQYSGTYASFIPSQLIPPTANPVTSAVASAAGATTPSQRSQLEAYSTLLANMGSLSQTPGHKAEQQQQQQQQQQQQHQHQQQQQQQQQQQQQQHLSRAPGLITPGSPPPAQQNQYVHISSSPQNTGRTASPPAIPVHLHPHQTMIPHTLTLGPPSQVVMQYADSGSHFVPREATKKAESSRLQQAIQAKEVLNGEMEKSRRYGAPSSADLGLGKAGGKSVPHPYESRHVVVHPSPSDYSSRDPSGVRASVMVLPNSNTPAADLEVQQATHREASPSTLNDKSGLHLGKPGHRSYALSPHTVIQTTHSASEPLPVGLPATAFYAGTQPPVIGYLSGQQQAITYAGSLPQHLVIPGTQPLLIPVGSTDMEASGAAPAIVTSSPQFAAVPHTFVTTALPKSENFNPEALVTQAAYPAMVQAQIHLPVVQSVASPAAAPPTLPPYFMKGSIIQLANGELKKVEDLKTEDFIQSAEISNDLKIDSSTVERIEDSHSPGVAVIQFAVGEHRAQVSVEVLVEYPFFVFGQGWSSCCPERTSQLFDLPCSKLSVGDVCISLTLKNLKNGSVKKGQPVDPASVLLKHSKADGLAGSRHRYAEQENGINQGSAQMLSENGELKFPEKMGLPAAPFLTKIEPSKPAATRKRRWSAPESRKLEKSEDEPPLTLPKPSLIPQEVKICIEGRSNVGK
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:09)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:09)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:09)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:09)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:10:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:38)

• Minimal score value: -5.1454
• Maximal score value: 3.3962
• Average score: -0.5664
• Total score value: -461.6335

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
1	M	A	0.0467
2	K	A	-1.7618
3	S	A	-1.9941
4	N	A	-3.0655
5	Q	A	-3.4198
6	E	A	-3.9177
7	R	A	-3.9911
8	S	A	-2.6978
9	N	A	-2.6255
10	E	A	-2.1129
11	C	A	0.1868
12	L	A	0.7997
13	P	A	-0.2883
14	P	A	-1.4351
15	K	A	-3.1539
16	K	A	-3.7478
17	R	A	-3.5095
18	E	A	-2.4511
19	I	A	0.3945
20	P	A	0.3102
21	A	A	0.1235
22	T	A	-0.5594
23	S	A	-1.1987
24	R	A	-2.1270
25	S	A	-1.7558
26	S	A	-2.0725
27	E	A	-3.2556
28	E	A	-3.6019
29	K	A	-2.9280
30	A	A	-1.2338
31	P	A	-0.3348
32	T	A	0.5274
33	L	A	1.2737
34	P	A	0.1417
35	S	A	-1.1367
36	D	A	-2.7384
37	N	A	-3.0418
38	H	A	-2.5894
39	R	A	-2.1735
40	V	A	-0.2858
41	E	A	-1.6090
42	G	A	-1.1468
43	T	A	-0.3769
44	A	A	0.9582
45	W	A	1.8430
46	L	A	1.7568
47	P	A	0.1591
48	G	A	-0.7594
49	N	A	-1.6686
50	P	A	-1.5333
51	G	A	-1.4921
52	G	A	-1.8981
53	R	A	-2.6331
54	G	A	-2.0700
55	H	A	-1.9288
56	G	A	-1.3817
57	G	A	-1.4989
58	G	A	-1.8737
59	R	A	-2.7464
60	H	A	-2.2806
61	G	A	-1.5022
62	P	A	-0.7605
63	A	A	-0.4131
64	G	A	-0.5655
65	T	A	-0.0334
66	S	A	0.1108
67	V	A	0.9344
68	E	A	-0.2475
69	L	A	1.1550
70	G	A	0.7371
71	L	A	0.8336
72	Q	A	-1.2912
73	Q	A	-1.3790
74	G	A	-0.4003
75	I	A	1.6527
76	G	A	0.9321
77	L	A	0.9124
78	H	A	-1.1298
79	K	A	-1.5174
80	A	A	-0.3174
81	L	A	1.0628
82	S	A	0.5587
83	T	A	0.2424
84	G	A	-0.0306
85	L	A	0.7218
86	D	A	-0.5471
87	Y	A	0.6011
88	S	A	-0.1888
89	P	A	-0.2149
90	P	A	-0.3695
91	S	A	-0.4473
92	A	A	-0.7230
93	P	A	-1.2863
94	R	A	-1.6903
95	S	A	-0.1546
96	V	A	1.5490
97	P	A	1.4109
98	V	A	2.0102
99	A	A	1.1532
100	T	A	0.7372
101	T	A	0.8066
102	L	A	1.3997
103	P	A	0.5078
104	A	A	0.6229
105	A	A	0.8315
106	Y	A	1.3737
107	A	A	0.7522
108	T	A	-0.2122
109	P	A	-0.9759
110	Q	A	-1.5610
111	P	A	-1.1310
112	G	A	-0.9052
113	T	A	-0.1541
114	P	A	0.4023
115	V	A	1.4659
116	S	A	0.9844
117	P	A	0.5848
118	V	A	1.3037
119	Q	A	0.1431
120	Y	A	1.0368
121	A	A	0.5529
122	H	A	-0.1522
123	L	A	0.8826
124	P	A	-0.0327
125	H	A	-0.5500
126	T	A	0.4242
127	F	A	1.7687
128	Q	A	1.0284
129	F	A	2.6600
130	I	A	2.5295
131	G	A	0.6261
132	S	A	0.1986
133	S	A	-0.4879
134	Q	A	-0.8658
135	Y	A	0.4221
136	S	A	-0.1677
137	G	A	0.0018
138	T	A	0.4849
139	Y	A	1.1671
140	A	A	0.9564
141	S	A	1.4622
142	F	A	2.8950
143	I	A	2.8674
144	P	A	0.8604
145	S	A	-0.0682
146	Q	A	-0.2396
147	L	A	1.9785
148	I	A	2.4250
149	P	A	0.8095
150	P	A	0.0163
151	T	A	-0.4980
152	A	A	-0.7041
153	N	A	-0.9710
154	P	A	-0.1109
155	V	A	1.2561
156	T	A	0.5186
157	S	A	0.4331
158	A	A	1.1394
159	V	A	2.4162
160	A	A	1.2862
161	S	A	-0.0659
162	A	A	-0.0899
163	A	A	-0.1634
164	G	A	-0.4105
165	A	A	-0.2286
166	T	A	-0.2354
167	T	A	-0.2766
168	P	A	-0.8487
169	S	A	-1.3662
170	Q	A	-2.4324
171	R	A	-2.6493
172	S	A	-1.8697
173	Q	A	-1.3919
174	L	A	0.0826
175	E	A	-1.1008
176	A	A	0.1516
177	Y	A	1.5007
178	S	A	0.9894
179	T	A	0.9053
180	L	A	2.3840
181	L	A	2.2794
182	A	A	0.7788
183	N	A	0.1097
184	M	A	1.1737
185	G	A	0.0757
186	S	A	0.1534
187	L	A	1.0063
188	S	A	-0.0917
189	Q	A	-1.1986
190	T	A	-0.8596
191	P	A	-1.6712
192	G	A	-2.2156
193	H	A	-3.4047
194	K	A	-3.9141
195	A	A	-3.4833
196	E	A	-4.7446
197	Q	A	-4.9174
198	Q	A	-4.8989
199	Q	A	-5.0649
200	Q	A	-5.1454
201	Q	A	-4.8712
202	Q	A	-4.8816
203	Q	A	-4.8460
204	Q	A	-4.6591
205	Q	A	-4.5635
206	Q	A	-4.3548
207	Q	A	-3.9696
208	Q	A	-4.2243
209	H	A	-4.2400
210	Q	A	-4.2158
211	H	A	-4.3001
212	Q	A	-4.5076
213	Q	A	-4.6550
214	Q	A	-4.6894
215	Q	A	-4.8568
216	Q	A	-4.8529
217	Q	A	-4.8154
218	Q	A	-4.6921
219	Q	A	-4.5140
220	Q	A	-4.4822
221	Q	A	-4.4216
222	Q	A	-3.6999
223	Q	A	-3.1836
224	Q	A	-3.1821
225	Q	A	-3.1227
226	H	A	-2.4249
227	L	A	-0.5583
228	S	A	-1.3453
229	R	A	-2.1623
230	A	A	-0.7859
231	P	A	-0.6097
232	G	A	0.5948
233	L	A	2.1646
234	I	A	2.5375
235	T	A	1.0792
236	P	A	-0.1063
237	G	A	-0.7554
238	S	A	-0.6697
239	P	A	-0.6539
240	P	A	-0.5368
241	P	A	-0.7769
242	A	A	-0.9955
243	Q	A	-2.0795
244	Q	A	-2.7052
245	N	A	-2.4319
246	Q	A	-1.1521
247	Y	A	1.0987
248	V	A	2.0358
249	H	A	1.0793
250	I	A	1.7778
251	S	A	0.3732
252	S	A	-0.0603
253	S	A	-0.7410
254	P	A	-1.2748
255	Q	A	-2.1407
256	N	A	-2.1357
257	T	A	-1.5988
258	G	A	-1.8144
259	R	A	-2.1057
260	T	A	-1.0621
261	A	A	-0.6547
262	S	A	-0.3753
263	P	A	-0.4536
264	P	A	-0.0173
265	A	A	0.7955
266	I	A	2.2826
267	P	A	1.4118
268	V	A	1.9678
269	H	A	0.3483
270	L	A	0.8734
271	H	A	-0.7150
272	P	A	-1.1170
273	H	A	-1.9054
274	Q	A	-1.5542
275	T	A	-0.0577
276	M	A	1.6816
277	I	A	2.1203
278	P	A	0.5065
279	H	A	-0.3663
280	T	A	0.3800
281	L	A	1.5569
282	T	A	1.2739
283	L	A	1.4767
284	G	A	0.2305
285	P	A	-0.4771
286	P	A	-0.6759
287	S	A	-0.3982
288	Q	A	0.0522
289	V	A	2.1261
290	V	A	2.6334
291	M	A	2.0386
292	Q	A	0.4680
293	Y	A	0.7576
294	A	A	-0.4678
295	D	A	-1.8057
296	S	A	-1.3167
297	G	A	-1.1763
298	S	A	-0.4883
299	H	A	0.1524
300	F	A	1.9543
301	V	A	1.6563
302	P	A	-0.2953
303	R	A	-2.1961
304	E	A	-2.5805
305	A	A	-1.6856
306	T	A	-1.5607
307	K	A	-2.5127
308	K	A	-2.9509
309	A	A	-2.3447
310	E	A	-2.3676
311	S	A	-1.4182
312	S	A	-1.2916
313	R	A	-1.6347
314	L	A	-0.2740
315	Q	A	-1.2754
316	Q	A	-1.3909
317	A	A	0.0212
318	I	A	0.8572
319	Q	A	-0.6047
320	A	A	-1.2977
321	K	A	-2.0378
322	E	A	-1.2730
323	V	A	0.8868
324	L	A	1.1169
325	N	A	-0.8420
326	G	A	-1.3312
327	E	A	-2.2076
328	M	A	-1.3800
329	E	A	-2.5003
330	K	A	-2.8624
331	S	A	-2.8171
332	R	A	-2.9377
333	R	A	-2.2327
334	Y	A	-0.2195
335	G	A	-0.1832
336	A	A	-0.0598
337	P	A	-0.4718
338	S	A	-0.4149
339	S	A	-0.7447
340	A	A	-0.5899
341	D	A	-1.1532
342	L	A	0.7640
343	G	A	0.5269
344	L	A	1.0467
345	G	A	-0.6730
346	K	A	-1.6805
347	A	A	-1.2378
348	G	A	-1.4387
349	G	A	-1.5396
350	K	A	-1.7580
351	S	A	-0.3284
352	V	A	0.9744
353	P	A	0.1633
354	H	A	-0.8086
355	P	A	-0.6294
356	Y	A	-0.0134
357	E	A	-1.8708
358	S	A	-1.9268
359	R	A	-2.2400
360	H	A	-0.6363
361	V	A	2.3320
362	V	A	3.2458
363	V	A	2.7936
364	H	A	0.6749
365	P	A	-0.3074
366	S	A	-0.4357
367	P	A	-0.9050
368	S	A	-1.1084
369	D	A	-1.3787
370	Y	A	0.2571
371	S	A	-0.6969
372	S	A	-1.2682
373	R	A	-2.9188
374	D	A	-3.0268
375	P	A	-1.7374
376	S	A	-0.6077
377	G	A	-0.5579
378	V	A	0.5764
379	R	A	-0.9384
380	A	A	-0.0328
381	S	A	0.8655
382	V	A	2.6399
383	M	A	3.1182
384	V	A	3.2615
385	L	A	2.4147
386	P	A	0.2380
387	N	A	-1.2336
388	S	A	-1.3826
389	N	A	-1.8574
390	T	A	-1.0089
391	P	A	-0.7777
392	A	A	-0.5235
393	A	A	-0.8100
394	D	A	-1.4620
395	L	A	0.0418
396	E	A	-0.7762
397	V	A	0.3237
398	Q	A	-1.1597
399	Q	A	-1.3867
400	A	A	-1.1140
401	T	A	-1.2551
402	H	A	-2.2412
403	R	A	-3.2096
404	E	A	-2.9297
405	A	A	-1.3716
406	S	A	-0.7317
407	P	A	-0.4752
408	S	A	-0.1277
409	T	A	0.2459
410	L	A	0.2040
411	N	A	-1.8265
412	D	A	-3.0470
413	K	A	-2.9870
414	S	A	-1.2339
415	G	A	-0.2989
416	L	A	1.0868
417	H	A	0.4096
418	L	A	0.7712
419	G	A	-0.8069
420	K	A	-1.8716
421	P	A	-1.7521
422	G	A	-1.9636
423	H	A	-2.2464
424	R	A	-2.2616
425	S	A	-0.8845
426	Y	A	1.1687
427	A	A	1.4353
428	L	A	1.5937
429	S	A	0.2216
430	P	A	-0.5132
431	H	A	-0.6851
432	T	A	0.6881
433	V	A	2.2478
434	I	A	2.2899
435	Q	A	0.1537
436	T	A	-0.4685
437	T	A	-0.8829
438	H	A	-1.1361
439	S	A	-0.7624
440	A	A	-0.7352
441	S	A	-1.1495
442	E	A	-1.7535
443	P	A	-0.5012
444	L	A	1.3123
445	P	A	1.2676
446	V	A	2.0306
447	G	A	1.1740
448	L	A	1.5811
449	P	A	0.5079
450	A	A	0.4832
451	T	A	0.6431
452	A	A	1.2298
453	F	A	2.6064
454	Y	A	2.1829
455	A	A	0.8895
456	G	A	-0.4579
457	T	A	-0.9139
458	Q	A	-1.3143
459	P	A	-0.3073
460	P	A	0.5845
461	V	A	2.3007
462	I	A	2.8506
463	G	A	1.9295
464	Y	A	2.2379
465	L	A	1.8723
466	S	A	0.3696
467	G	A	-1.1042
468	Q	A	-2.3977
469	Q	A	-2.5406
470	Q	A	-1.5647
471	A	A	0.2827
472	I	A	2.0295
473	T	A	1.5222
474	Y	A	1.6319
475	A	A	0.4085
476	G	A	0.0689
477	S	A	0.1397
478	L	A	0.8093
479	P	A	-0.2213
480	Q	A	-0.8412
481	H	A	0.0002
482	L	A	2.0602
483	V	A	2.9644
484	I	A	2.8599
485	P	A	0.9098
486	G	A	-0.1823
487	T	A	-0.5895
488	Q	A	-0.9314
489	P	A	0.6554
490	L	A	2.3421
491	L	A	3.2035
492	I	A	3.3962
493	P	A	1.9678
494	V	A	2.0475
495	G	A	0.2363
496	S	A	-0.4078
497	T	A	-0.9864
498	D	A	-1.8322
499	M	A	-0.7384
500	E	A	-1.8000
501	A	A	-0.9444
502	S	A	-0.7156
503	G	A	-0.7319
504	A	A	-0.2397
505	A	A	-0.1455
506	P	A	0.2425
507	A	A	1.4140
508	I	A	2.8256
509	V	A	2.6700
510	T	A	0.9804
511	S	A	-0.0427
512	S	A	-0.7061
513	P	A	-0.5751
514	Q	A	-0.2646
515	F	A	1.2671
516	A	A	1.1647
517	A	A	1.2883
518	V	A	1.5132
519	P	A	0.1203
520	H	A	-0.3681
521	T	A	0.7027
522	F	A	2.5159
523	V	A	2.6535
524	T	A	1.2070
525	T	A	0.6777
526	A	A	0.8877
527	L	A	1.0463
528	P	A	-0.3423
529	K	A	-1.9579
530	S	A	-2.3981
531	E	A	-2.5953
532	N	A	-1.6504
533	F	A	0.2298
534	N	A	-0.9830
535	P	A	-1.3375
536	E	A	-1.8032
537	A	A	0.1988
538	L	A	1.8990
539	V	A	2.2681
540	T	A	0.5844
541	Q	A	-0.5115
542	A	A	-0.2243
543	A	A	0.3913
544	Y	A	1.2626
545	P	A	0.8920
546	A	A	1.0758
547	M	A	1.6300
548	V	A	1.4716
549	Q	A	-0.3313
550	A	A	-0.3891
551	Q	A	-0.9847
552	I	A	0.2075
553	H	A	-0.1733
554	L	A	0.3308
555	P	A	0.4399
556	V	A	1.0722
557	V	A	0.6632
558	Q	A	-0.2058
559	S	A	0.3787
560	V	A	1.3498
561	A	A	0.5468
562	S	A	0.0944
563	P	A	-0.0581
564	A	A	-0.1040
565	A	A	-0.0497
566	A	A	0.0492
567	P	A	-0.2865
568	P	A	-0.1632
569	T	A	-0.1074
570	L	A	0.0000
571	P	A	0.2616
572	P	A	0.3136
573	Y	A	1.4230
574	F	A	0.5357
575	M	A	-0.1992
576	K	A	-1.8166
577	G	A	-0.9595
578	S	A	0.3742
579	I	A	1.2119
580	I	A	0.5215
581	Q	A	-0.8346
582	L	A	0.0000
583	A	A	-0.7880
584	N	A	-1.3887
585	G	A	-1.4603
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684	S	A	0.2303
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686	T	A	0.2884
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701	V	A	0.3171
702	D	A	-1.2909
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704	A	A	0.0377
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706	V	A	2.6970
707	L	A	2.8884
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718	G	A	-0.6411
719	S	A	-1.4996
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723	Y	A	-0.1339
724	A	A	-0.9515
725	E	A	-2.4566
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727	E	A	-3.4980
728	N	A	-2.2409
729	G	A	-0.7376
730	I	A	0.5408
731	N	A	-0.9751
732	Q	A	-1.7509
733	G	A	-1.5154
734	S	A	-0.9088
735	A	A	-0.5776
736	Q	A	-0.4182
737	M	A	1.2576
738	L	A	1.3029
739	S	A	-0.3373
740	E	A	-2.2507
741	N	A	-2.6950
742	G	A	-2.1977
743	E	A	-1.9817
744	L	A	0.0203
745	K	A	-0.4043
746	F	A	0.8711
747	P	A	-0.8154
748	E	A	-2.1295
749	K	A	-2.2199
750	M	A	-0.0186
751	G	A	0.3912
752	L	A	1.4023
753	P	A	0.5379
754	A	A	0.2290
755	A	A	0.2924
756	P	A	1.0265
757	F	A	2.6757
758	L	A	2.1660
759	T	A	0.6412
760	K	A	-0.8040
761	I	A	0.2689
762	E	A	-1.4054
763	P	A	-1.3089
764	S	A	-1.6123
765	K	A	-1.9764
766	P	A	-1.1805
767	A	A	-0.4441
768	A	A	-0.3457
769	T	A	-1.2810
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772	R	A	-3.6691
773	R	A	-2.7809
774	W	A	-0.4854
775	S	A	-0.5851
776	A	A	-0.3902
777	P	A	-1.2956
778	E	A	-2.7051
779	S	A	-2.2914
780	R	A	-3.0609
781	K	A	-2.7316
782	L	A	-1.0321
783	E	A	-2.5571
784	K	A	-2.9896
785	S	A	-2.5614
786	E	A	-3.5800
787	D	A	-3.6305
788	E	A	-3.0818
789	P	A	-1.4026
790	P	A	0.0689
791	L	A	1.4933
792	T	A	1.1224
793	L	A	1.2842
794	P	A	-0.4424
795	K	A	-1.4342
796	P	A	-0.5614
797	S	A	0.1448
798	L	A	1.2799
799	I	A	0.9516
800	P	A	-0.2805
801	Q	A	-1.2156
802	E	A	-1.8717
803	V	A	0.1079
804	K	A	-0.7103
805	I	A	-1.1367
806	C	A	0.1216
807	I	A	0.8937
808	E	A	-1.5298
809	G	A	-1.6434
810	R	A	-2.3982
811	S	A	-1.3131
812	N	A	-1.3397
813	V	A	0.2187
814	G	A	-0.8179
815	K	A	-1.7334