Project name: His-TDP-43 LCD

Chain sequence(s)	A: GHMNRQLERSGRFGGNPGGFGNQGGFGNSRGGGAGLGNNQGSNMGGGMNFGAFSINPAMMAAAQAALQSSWGMMGMLASQQNQSGPSGNNQNQGNMQREPNQAFGSGNNSYSGSNSGAAIGWGSASNAGSGSGFNGGFGSSMDSKSSGWGM
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]                                                (00:00:00)
[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                                          (00:00:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:39)

• Minimal score value: -3.5436
• Maximal score value: 2.1989
• Average score: -0.7739
• Total score value: -116.8533

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	G	A	-0.8899
2	H	A	-1.2285
3	M	A	-0.7925
4	N	A	-2.1877
5	R	A	-3.1644
6	Q	A	-2.5349
7	L	A	-1.2518
8	E	A	-3.3737
9	R	A	-3.2614
10	S	A	-1.7549
11	G	A	-1.7487
12	R	A	-2.0252
13	F	A	0.1305
14	G	A	-0.6133
15	G	A	-1.1031
16	N	A	-1.6824
17	P	A	-1.1870
18	G	A	-0.7398
19	G	A	-0.3598
20	F	A	0.8649
21	G	A	-0.7672
22	N	A	-1.8209
23	Q	A	-1.8456
24	G	A	-1.1973
25	G	A	-0.5862
26	F	A	0.8081
27	G	A	-0.6775
28	N	A	-1.7259
29	S	A	-1.8297
30	R	A	-2.7768
31	G	A	-1.9598
32	G	A	-1.4231
33	G	A	-0.9243
34	A	A	-0.1892
35	G	A	-0.2019
36	L	A	0.5963
37	G	A	-0.9943
38	N	A	-2.2430
39	N	A	-2.5998
40	Q	A	-2.7125
41	G	A	-1.8900
42	S	A	-1.2870
43	N	A	-1.3176
44	M	A	-0.0803
45	G	A	-0.5013
46	G	A	-0.8023
47	G	A	-0.2956
48	M	A	0.7623
49	N	A	0.1357
50	F	A	1.8242
51	G	A	0.7392
52	A	A	1.2106
53	F	A	2.1989
54	S	A	0.9565
55	I	A	1.2008
56	N	A	-0.1685
57	P	A	0.0314
58	A	A	0.3485
59	M	A	1.0643
60	M	A	1.0511
61	A	A	0.4573
62	A	A	0.2847
63	A	A	0.1675
64	Q	A	-0.7384
65	A	A	-0.4199
66	A	A	-0.0816
67	L	A	0.0303
68	Q	A	-0.8495
69	S	A	-0.2049
70	S	A	0.5174
71	W	A	1.1966
72	G	A	0.6405
73	M	A	1.4729
74	M	A	1.9525
75	G	A	0.9720
76	M	A	1.2979
77	L	A	0.9723
78	A	A	-0.1736
79	S	A	-1.0624
80	Q	A	-2.1661
81	Q	A	-2.5187
82	N	A	-2.8588
83	Q	A	-2.9325
84	S	A	-2.0747
85	G	A	-1.5923
86	P	A	-1.1471
87	S	A	-1.4531
88	G	A	-1.9210
89	N	A	-2.7462
90	N	A	-3.2541
91	Q	A	-3.3128
92	N	A	-3.3794
93	Q	A	-2.7982
94	G	A	-2.1172
95	N	A	-2.0079
96	M	A	-1.1760
97	Q	A	-2.4498
98	R	A	-3.4246
99	E	A	-3.5436
100	P	A	-2.8142
101	N	A	-2.6653
102	Q	A	-1.6322
103	A	A	-0.0544
104	F	A	1.3865
105	G	A	0.1188
106	S	A	-0.7865
107	G	A	-1.5274
108	N	A	-2.1357
109	N	A	-1.8264
110	S	A	-0.7459
111	Y	A	0.4366
112	S	A	-0.2194
113	G	A	-0.6512
114	S	A	-1.1231
115	N	A	-1.7205
116	S	A	-1.0868
117	G	A	-0.5767
118	A	A	0.1703
119	A	A	0.9241
120	I	A	2.0250
121	G	A	0.9717
122	W	A	1.2107
123	G	A	0.0875
124	S	A	-0.4815
125	A	A	-0.5150
126	S	A	-0.9802
127	N	A	-1.5171
128	A	A	-0.9502
129	G	A	-1.0632
130	S	A	-0.8578
131	G	A	-0.6246
132	S	A	-0.5033
133	G	A	-0.2065
134	F	A	0.8166
135	N	A	-0.8280
136	G	A	-0.6216
137	G	A	0.0377
138	F	A	1.3035
139	G	A	0.2163
140	S	A	-0.0618
141	S	A	-0.2448
142	M	A	-0.2945
143	D	A	-1.8585
144	S	A	-1.7826
145	K	A	-2.2901
146	S	A	-1.4150
147	S	A	-0.7734
148	G	A	-0.2833
149	W	A	0.8936
150	G	A	0.4524
151	M	A	1.0499