Project name: EAK16-II_2

Chain sequence(s)	A: AEAEAKAKAEAEAKAK; B: AEAEAKAKAEAEAKAK
Selected Chain(s)	A,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 all 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                                          (00:01:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:23)

• Minimal score value: -3.5355
• Maximal score value: 0.0
• Average score: -2.5751
• Total score value: -82.4036

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	A	-1.7809
2	E	A	-2.3919
3	A	A	-2.1445
4	E	A	-2.7301
5	A	A	-2.2877
6	K	A	-2.8065
7	A	A	-3.0148
8	K	A	-3.1781
9	A	A	-2.5149
10	E	A	-3.0599
11	A	A	0.0000
12	E	A	-3.4665
13	A	A	-2.7960
14	K	A	-3.2016
15	A	A	-2.7423
16	K	A	-2.7245
1	A	B	-1.8188
2	E	B	-2.3364
3	A	B	-2.3154
4	E	B	-2.9563
5	A	B	-2.3164
6	K	B	-2.9077
7	A	B	-3.0590
8	K	B	-2.9784
9	A	B	-2.5758
10	E	B	-3.1759
11	A	B	0.0000
12	E	B	-3.5355
13	A	B	-2.8451
14	K	B	-3.3062
15	A	B	-2.7469
16	K	B	-2.6896