Project name: tdp43

Chain sequence(s)	A: GGFGNQGGFGNSRGGGAGLGNNQGSNMGGGMNFGAFSINPAMMAAAQAALQSSWGMMGMLASQQNQSGPSGNNQNQGNMQ
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                                          (00:00:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:25)

• Minimal score value: -3.3016
• Maximal score value: 1.923
• Average score: -0.715
• Total score value: -57.1967

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
2	G	A	-0.2785
3	G	A	-0.2107
4	F	A	0.9314
5	G	A	-0.7085
6	N	A	-1.8118
7	Q	A	-1.7533
8	G	A	-1.2673
9	G	A	-0.8220
10	F	A	0.7057
11	G	A	-0.7228
12	N	A	-1.8970
13	S	A	-1.9711
14	R	A	-2.8565
15	G	A	-2.0752
16	G	A	-1.4590
17	G	A	-1.2141
18	A	A	-0.4749
19	G	A	-0.5625
20	L	A	0.5365
21	G	A	-1.0075
22	N	A	-2.3816
23	N	A	-2.6243
24	Q	A	-2.7963
25	G	A	-1.9888
26	S	A	-1.5608
27	N	A	-1.3826
28	M	A	-0.1710
29	G	A	-0.5597
30	G	A	-0.7760
31	G	A	-0.2383
32	M	A	0.7132
33	N	A	0.2483
34	F	A	1.6415
35	G	A	0.9254
36	A	A	1.3890
37	F	A	1.9230
38	S	A	0.4636
39	I	A	1.1909
40	N	A	-0.1505
41	P	A	0.0123
42	A	A	0.2520
43	M	A	0.8648
44	M	A	0.9175
45	A	A	0.3681
46	A	A	0.1822
47	A	A	0.0781
48	Q	A	-0.8125
49	A	A	-0.3521
50	A	A	-0.1345
51	L	A	0.0427
52	Q	A	-0.7603
53	S	A	-0.2226
54	S	A	0.4298
55	W	A	1.3313
56	G	A	0.7308
57	M	A	1.4740
58	M	A	1.5278
59	G	A	0.8499
60	M	A	1.1979
61	L	A	0.7316
62	A	A	-0.3449
63	S	A	-0.9589
64	Q	A	-1.9314
65	Q	A	-2.0717
66	N	A	-2.5609
67	Q	A	-2.7395
68	S	A	-2.3790
69	G	A	-2.2298
70	P	A	-1.5200
71	S	A	-1.2845
72	G	A	-2.1875
73	N	A	-2.8565
74	N	A	-3.3016
75	Q	A	-3.2410
76	N	A	-3.1615
77	Q	A	-2.6660
78	G	A	-2.1984
79	N	A	-1.5565
80	M	A	-0.4640
81	Q	A	-1.1978