Project name: d2ee215c4776354

Chain sequence(s)	B: LEAEIMKLTEEIKKLMKEAVEKLKEDPEEAEKVLEEVKKKMAELQALVAA
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]                                                (00:00:00)
[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 B 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                                          (00:02:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:16)

• Minimal score value: -4.218
• Maximal score value: 1.4823
• Average score: -1.9917
• Total score value: -99.5858

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	L	B	0.4794
2	E	B	-1.1770
3	A	B	-1.1428
4	E	B	-1.8685
5	I	B	-0.9821
6	M	B	-0.9882
7	K	B	-2.8482
8	L	B	0.0000
9	T	B	-2.1935
10	E	B	-3.6755
11	E	B	-3.6310
12	I	B	0.0000
13	K	B	-3.9500
14	K	B	-3.7589
15	L	B	-3.0112
16	M	B	-2.0127
17	K	B	-2.7780
18	E	B	-2.5648
19	A	B	0.0000
20	V	B	-0.8941
21	E	B	-2.5903
22	K	B	-3.2391
23	L	B	-2.0409
24	K	B	-2.8419
25	E	B	-3.4734
26	D	B	-3.3322
27	P	B	-2.8958
28	E	B	-3.6542
29	E	B	-3.7839
30	A	B	0.0000
31	E	B	-3.8704
32	K	B	-4.2053
33	V	B	0.0000
34	L	B	-3.0077
35	E	B	-4.2180
36	E	B	-3.6039
37	V	B	0.0000
38	K	B	-3.6650
39	K	B	-3.9171
40	K	B	-3.1088
41	M	B	-2.1158
42	A	B	-1.9571
43	E	B	-2.2548
44	L	B	-1.1073
45	Q	B	-0.8783
46	A	B	-0.2422
47	L	B	0.5232
48	V	B	1.4823
49	A	B	0.5974
50	A	B	0.8118