Project name: sod

Chain sequence(s)	A: ATKAVCVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFHVHEFGDNTAGCTSAGPHFNPLSRKHGGPKDEERHVGDLGNVTADKDGVADVSIEDSVISLSGDHCIIGRTLVVHEKADDLGKGGNEESTKTGNAGSRLACGVIGIAQ
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                                          (00:01:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:53)

• Minimal score value: -3.7315
• Maximal score value: 1.8928
• Average score: -0.9063
• Total score value: -138.661

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	A	A	-1.4693
2	T	A	-0.9554
3	K	A	-0.6325
4	A	A	0.0000
5	V	A	1.4888
6	C	A	0.0000
7	V	A	1.7355
8	L	A	0.0000
9	K	A	-2.1584
10	G	A	-2.4464
11	D	A	-2.6527
12	G	A	-1.8802
13	P	A	-1.7663
14	V	A	0.0000
15	Q	A	-2.1197
16	G	A	-0.3731
17	I	A	1.8928
18	I	A	0.0000
19	N	A	0.2450
20	F	A	0.0000
21	E	A	-1.6888
22	Q	A	0.0000
23	K	A	-3.1152
24	E	A	-3.2193
25	S	A	-2.2443
26	N	A	-2.4691
27	G	A	-2.1133
28	P	A	-1.9670
29	V	A	0.0000
30	K	A	-2.1205
31	V	A	0.0000
32	W	A	-0.4602
33	G	A	0.0746
34	S	A	-0.7817
35	I	A	0.0000
36	K	A	-2.6297
37	G	A	-1.9806
38	L	A	0.0000
39	T	A	-2.2000
40	E	A	-3.0214
41	G	A	-1.2535
42	L	A	-0.0346
43	H	A	0.0000
44	G	A	0.0000
45	F	A	0.0000
46	H	A	0.0000
47	V	A	0.0000
48	H	A	0.0000
49	E	A	-0.0405
50	F	A	0.6951
51	G	A	-0.2376
52	D	A	-1.0624
53	N	A	-1.4599
54	T	A	-1.0086
55	A	A	-0.6786
56	G	A	-1.4959
57	C	A	-0.9777
58	T	A	-0.4781
59	S	A	-0.5537
60	A	A	0.0000
61	G	A	-0.1523
62	P	A	-0.2916
63	H	A	0.0000
64	F	A	0.0000
65	N	A	-0.8016
66	P	A	-0.5491
67	L	A	-0.3169
68	S	A	-1.0583
69	R	A	-2.6153
70	K	A	-3.1176
71	H	A	0.0000
72	G	A	0.0000
73	G	A	0.0000
74	P	A	-1.7463
75	K	A	-2.7044
76	D	A	-3.1381
77	E	A	-3.6550
78	E	A	-3.6099
79	R	A	0.0000
80	H	A	0.0000
81	V	A	0.0000
82	G	A	0.0000
83	D	A	0.0000
84	L	A	0.0000
85	G	A	0.0000
86	N	A	-0.0490
87	V	A	0.0000
88	T	A	-0.8775
89	A	A	0.0000
90	D	A	-3.4840
91	K	A	-3.7315
92	D	A	-3.6119
93	G	A	0.0000
94	V	A	-2.7991
95	A	A	0.0000
96	D	A	-2.1873
97	V	A	0.0000
98	S	A	-1.0057
99	I	A	-1.0723
100	E	A	-2.1472
101	D	A	0.0000
102	S	A	-0.9038
103	V	A	-0.4729
104	I	A	0.0000
105	S	A	0.0000
106	L	A	0.0000
107	S	A	-1.1967
108	G	A	-1.6713
109	D	A	-2.2526
110	H	A	-1.1681
111	C	A	-0.8038
112	I	A	0.0000
113	I	A	0.7748
114	G	A	0.2437
115	R	A	-0.0566
116	T	A	0.0000
117	L	A	0.0000
118	V	A	0.0000
119	V	A	0.0000
120	H	A	0.0000
121	E	A	-1.9070
122	K	A	-1.9072
123	A	A	-0.6806
124	D	A	0.0000
125	D	A	-1.2058
126	L	A	-0.9428
127	G	A	-2.3570
128	K	A	-2.2079
129	G	A	-2.2806
130	G	A	-2.2115
131	N	A	-2.9804
132	E	A	-3.3484
133	E	A	-3.1777
134	S	A	0.0000
135	T	A	-3.0888
136	K	A	-3.0548
137	T	A	-1.6980
138	G	A	0.0000
139	N	A	-2.0319
140	A	A	0.0000
141	G	A	-1.4042
142	S	A	-1.1541
143	R	A	-1.1672
144	L	A	-1.4847
145	A	A	0.0000
146	C	A	0.0000
147	G	A	0.0384
148	V	A	1.0184
149	I	A	0.0000
150	G	A	1.1424
151	I	A	1.8243
152	A	A	0.2659
153	Q	A	-0.8162