Project name: a5b198db6f9406f

Chain sequence(s)	B: LAFKDELMERLKKLKEVLEKLEELLSPEQAKEARAKFEEIKAKVKKLIET
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                                          (00:02:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:39)

• Minimal score value: -4.6361
• Maximal score value: 1.2952
• Average score: -2.1486
• Total score value: -107.4283

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	1.2952
2	A	B	0.5495
3	F	B	0.8606
4	K	B	-1.2949
5	D	B	-2.4845
6	E	B	-2.6902
7	L	B	-2.1922
8	M	B	-2.8485
9	E	B	-4.3971
10	R	B	-4.4257
11	L	B	0.0000
12	K	B	-3.9947
13	K	B	-3.5616
14	L	B	-1.9345
15	K	B	-3.2721
16	E	B	-2.9053
17	V	B	-0.8760
18	L	B	0.0000
19	E	B	-3.0100
20	K	B	-2.2760
21	L	B	-0.5588
22	E	B	-2.3892
23	E	B	-1.7883
24	L	B	0.3195
25	L	B	-0.5927
26	S	B	-1.3555
27	P	B	-2.2845
28	E	B	-3.6831
29	Q	B	-3.1229
30	A	B	0.0000
31	K	B	-4.4004
32	E	B	-4.6361
33	A	B	-3.7231
34	R	B	-4.4115
35	A	B	-3.5626
36	K	B	-3.7328
37	F	B	0.0000
38	E	B	-3.6373
39	E	B	-3.4115
40	I	B	-1.8097
41	K	B	-2.3336
42	A	B	-2.3577
43	K	B	-2.6892
44	V	B	-1.5942
45	K	B	-2.2188
46	K	B	-2.5263
47	L	B	-0.8487
48	I	B	-1.1900
49	E	B	-2.4298
50	T	B	-1.0015