Project name: SOD NORM

Chain sequence(s)	A: MATKAVCVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFHVHEFGDNTAGCTSAGPHFNPLSRKHGGPKDEERHVGDLGNVTADKDGVADVSIEDSVISLSGDHCIIGRTLVVHEKADDLGKGGNEESTKTGNAGSRLACGVIGIAQ
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:28)

• Minimal score value: -3.9126
• Maximal score value: 1.797
• Average score: -0.9163
• Total score value: -141.1149

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	0.2735
2	A	A	-1.1533
3	T	A	-0.8561
4	K	A	-0.6696
5	A	A	0.0000
6	V	A	1.1242
7	C	A	0.0000
8	V	A	0.8306
9	L	A	0.0000
10	K	A	-2.2131
11	G	A	-2.2849
12	D	A	-2.5757
13	G	A	-1.7651
14	P	A	-1.7095
15	V	A	0.0000
16	Q	A	-2.2905
17	G	A	0.0000
18	I	A	0.9295
19	I	A	0.0000
20	N	A	0.1352
21	F	A	0.0000
22	E	A	-2.0739
23	Q	A	0.0000
24	K	A	-2.9606
25	E	A	-3.0589
26	S	A	-2.0661
27	N	A	-2.2588
28	G	A	-2.0038
29	P	A	-1.7914
30	V	A	0.0000
31	K	A	-2.2508
32	V	A	0.0000
33	W	A	-0.5813
34	G	A	-0.1398
35	S	A	-1.0039
36	I	A	0.0000
37	K	A	-2.7347
38	G	A	-1.9126
39	L	A	0.0000
40	T	A	-2.2247
41	E	A	-3.1597
42	G	A	-1.3218
43	L	A	-0.1463
44	H	A	0.0000
45	G	A	0.0000
46	F	A	0.0000
47	H	A	0.0000
48	V	A	0.0000
49	H	A	0.0000
50	E	A	-0.2081
51	F	A	0.6396
52	G	A	-0.1044
53	D	A	-0.7704
54	N	A	-0.8247
55	T	A	-0.6875
56	A	A	-0.4602
57	G	A	-1.2399
58	C	A	-0.8018
59	T	A	-0.4083
60	S	A	-0.4419
61	A	A	0.0000
62	G	A	-0.1895
63	P	A	-0.4984
64	H	A	0.0000
65	F	A	0.0000
66	N	A	-0.8603
67	P	A	-0.6400
68	L	A	-0.5653
69	S	A	-1.0696
70	R	A	-2.6447
71	K	A	-3.1832
72	H	A	0.0000
73	G	A	0.0000
74	G	A	0.0000
75	P	A	-1.7345
76	K	A	-2.7330
77	D	A	-3.0884
78	E	A	-3.6235
79	E	A	-3.5931
80	R	A	0.0000
81	H	A	0.0000
82	V	A	0.0000
83	G	A	0.0000
84	D	A	0.0000
85	L	A	0.0000
86	G	A	0.0000
87	N	A	-0.1336
88	V	A	0.0000
89	T	A	-0.7858
90	A	A	0.0000
91	D	A	-3.8717
92	K	A	-3.9126
93	D	A	-3.7149
94	G	A	0.0000
95	V	A	-2.8924
96	A	A	0.0000
97	D	A	-2.2219
98	V	A	0.0000
99	S	A	-1.0054
100	I	A	-1.1231
101	E	A	-2.1804
102	D	A	0.0000
103	S	A	-0.9505
104	V	A	-0.3922
105	I	A	0.0000
106	S	A	-0.9558
107	L	A	0.0000
108	S	A	-0.9976
109	G	A	-1.5015
110	D	A	-2.0336
111	H	A	-0.9467
112	C	A	-0.6103
113	I	A	0.0000
114	I	A	0.7767
115	G	A	0.2860
116	R	A	0.0416
117	T	A	0.0000
118	L	A	0.0000
119	V	A	0.0000
120	V	A	0.0000
121	H	A	0.0000
122	E	A	-1.8575
123	K	A	-1.7815
124	A	A	-0.6574
125	D	A	0.0000
126	D	A	-1.2126
127	L	A	-1.1867
128	G	A	-2.5897
129	K	A	-2.3165
130	G	A	-2.3787
131	G	A	-2.2679
132	N	A	-3.0048
133	E	A	-3.4097
134	E	A	-3.1975
135	S	A	0.0000
136	T	A	-3.3061
137	K	A	-3.2440
138	T	A	-1.8416
139	G	A	0.0000
140	N	A	-2.0728
141	A	A	0.0000
142	G	A	-1.3534
143	S	A	-1.2151
144	R	A	-1.2564
145	L	A	-1.4436
146	A	A	0.0000
147	C	A	0.0000
148	G	A	0.0000
149	V	A	0.9388
150	I	A	0.0000
151	G	A	1.1446
152	I	A	1.7970
153	A	A	0.1949
154	Q	A	-0.8260