Project name: e865050ac3b5416

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

• Minimal score value: -4.4638
• Maximal score value: 0.8795
• Average score: -1.5663
• Total score value: -78.3151

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	B	-1.9675
2	E	B	-3.5182
3	K	B	-4.0931
4	E	B	-3.8443
5	L	B	-3.3717
6	K	B	-4.4638
7	K	B	-4.2077
8	L	B	-2.4986
9	S	B	-2.1660
10	K	B	-2.5746
11	E	B	-1.8627
12	A	B	0.0000
13	F	B	0.8795
14	A	B	-0.1294
15	E	B	-0.3596
16	F	B	0.7116
17	K	B	-0.7719
18	A	B	-0.6534
19	A	B	0.0000
20	A	B	-1.1578
21	E	B	-2.3353
22	A	B	0.0000
23	I	B	-0.8570
24	K	B	-1.9196
25	A	B	-1.2476
26	G	B	-1.1677
27	D	B	-1.5831
28	L	B	-0.4726
29	E	B	-1.7636
30	A	B	-1.4059
31	A	B	0.0000
32	E	B	-1.8406
33	A	B	-1.4503
34	E	B	-1.1981
35	F	B	-0.9330
36	K	B	-2.0284
37	A	B	-1.3373
38	L	B	-0.4556
39	G	B	-1.2268
40	K	B	-2.3010
41	L	B	-1.2804
42	M	B	-1.0467
43	A	B	-1.7654
44	E	B	-2.4134
45	M	B	-1.9490
46	K	B	-2.5302
47	K	B	-2.4665
48	L	B	-1.2785
49	A	B	-1.0958
50	A	B	-0.9165