Project name: 7cb63a2e58c833d

Chain sequence(s)	A: GSEEESDKDIWELVQAYMDDMAAIDWETITLEEFEALKKEWLERFDKLIEEFKKRGDERGVKDANWWKNFFEGNFEIQAEEIREREK
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                                          (00:05:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:31)

• Minimal score value: -5.3452
• Maximal score value: 0.4567
• Average score: -2.3559
• Total score value: -204.9627

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	-2.3854
2	S	A	-3.2170
3	E	A	-4.9218
4	E	A	-5.0564
5	E	A	-4.9468
6	S	A	0.0000
7	D	A	-5.3452
8	K	A	-4.8796
9	D	A	-4.2020
10	I	A	0.0000
11	W	A	-2.1414
12	E	A	-2.9222
13	L	A	0.0000
14	V	A	0.0000
15	Q	A	-1.6272
16	A	A	-1.4078
17	Y	A	0.0000
18	M	A	-0.9449
19	D	A	-2.0068
20	D	A	-1.4079
21	M	A	-0.7775
22	A	A	-0.7399
23	A	A	-0.8164
24	I	A	-1.0691
25	D	A	-1.9623
26	W	A	-1.4998
27	E	A	-2.3927
28	T	A	-1.4388
29	I	A	-1.2849
30	T	A	-2.2404
31	L	A	-2.8613
32	E	A	-3.1139
33	E	A	-3.2225
34	F	A	0.0000
35	E	A	-3.7113
36	A	A	-2.8769
37	L	A	-2.4893
38	K	A	-3.2865
39	K	A	-3.7482
40	E	A	-3.5806
41	W	A	0.0000
42	L	A	-2.7853
43	E	A	-3.5319
44	R	A	-3.2256
45	F	A	0.0000
46	D	A	-3.5891
47	K	A	-3.9133
48	L	A	-3.1123
49	I	A	0.0000
50	E	A	-4.6681
51	E	A	-4.2414
52	F	A	0.0000
53	K	A	-5.2437
54	K	A	-4.6387
55	R	A	-4.3118
56	G	A	-3.6939
57	D	A	-4.1697
58	E	A	-4.5513
59	R	A	-4.5655
60	G	A	0.0000
61	V	A	-3.6123
62	K	A	-3.5280
63	D	A	-3.0421
64	A	A	0.0000
65	N	A	-1.4944
66	W	A	-0.1606
67	W	A	-0.1184
68	K	A	-1.2333
69	N	A	-0.8484
70	F	A	0.4567
71	F	A	0.0000
72	E	A	-1.4607
73	G	A	-0.8385
74	N	A	-0.5392
75	F	A	0.0000
76	E	A	-2.2542
77	I	A	-0.2906
78	Q	A	-1.6178
79	A	A	-2.9356
80	E	A	-3.9269
81	E	A	-4.0131
82	I	A	0.0000
83	R	A	-5.0394
84	E	A	-5.1192
85	R	A	-4.2552
86	E	A	-4.6227
87	K	A	-3.7025