Project name: 8e765301fc468d1ec7b0f1ff3d1e5f68

Chain sequence(s)	B: MKASEEAKKQVKEAVKEIKEAAKKSEEEAKEAVEEYRGALNLGKYYGANLEEVEEAEKLLGSGC
Selected Chain(s)	B
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 B 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                                          (00:03:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:31)

• Minimal score value: -4.4776
• Maximal score value: 1.273
• Average score: -1.8779
• Total score value: -120.1846

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	B	-0.0380
2	K	B	-1.5764
3	A	B	-0.9157
4	S	B	-0.8768
5	E	B	-1.7137
6	E	B	-1.7063
7	A	B	0.0000
8	K	B	-2.7378
9	K	B	-2.9971
10	Q	B	-2.6410
11	V	B	0.0000
12	K	B	-3.9796
13	E	B	-3.8672
14	A	B	0.0000
15	V	B	0.0000
16	K	B	-4.2001
17	E	B	-4.0865
18	I	B	0.0000
19	K	B	-3.7281
20	E	B	-4.2347
21	A	B	0.0000
22	A	B	-3.9607
23	K	B	-3.9261
24	K	B	-3.9107
25	S	B	-3.7065
26	E	B	-4.0965
27	E	B	-4.1962
28	E	B	-4.4776
29	A	B	0.0000
30	K	B	-4.1087
31	E	B	-4.4444
32	A	B	-3.7039
33	V	B	0.0000
34	E	B	-3.7230
35	E	B	-3.5511
36	Y	B	-2.2448
37	R	B	-1.8492
38	G	B	-1.3003
39	A	B	-1.4023
40	L	B	0.0000
41	N	B	-0.2359
42	L	B	0.3418
43	G	B	0.0000
44	K	B	-0.2184
45	Y	B	1.2730
46	Y	B	0.6565
47	G	B	-0.1354
48	A	B	0.0000
49	N	B	-1.8740
50	L	B	-1.2972
51	E	B	-2.7439
52	E	B	-2.9871
53	V	B	0.0000
54	E	B	-3.3000
55	E	B	-3.2129
56	A	B	0.0000
57	E	B	-2.5045
58	K	B	-2.7189
59	L	B	-1.6212
60	L	B	-2.1802
61	G	B	-1.3582
62	S	B	-0.8394
63	G	B	-0.9001
64	C	B	-0.4276