Project name: EAK16-II_4

Chain sequence(s)	A: AEAEAKAKAEAEAKAK; C: AEAEAKAKAEAEAKAK; B: AEAEAKAKAEAEAKAK; D: AEAEAKAKAEAEAKAK
Selected Chain(s)	A,C,B,D
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                                          (00:04:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:50)

• Minimal score value: -3.9181
• Maximal score value: 0.0
• Average score: -2.3424
• Total score value: -149.9121

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	-2.4981
2	E	A	-3.0287
3	A	A	-2.0594
4	E	A	0.0000
5	A	A	0.0000
6	K	A	-3.4716
7	A	A	-2.9714
8	K	A	-3.6662
9	A	A	0.0000
10	E	A	-3.8171
11	A	A	0.0000
12	E	A	-3.3214
13	A	A	0.0000
14	K	A	-3.7252
15	A	A	-2.4864
16	K	A	-2.9272
1	A	B	-1.8089
2	E	B	-2.5406
3	A	B	-2.5210
4	E	B	-3.0533
5	A	B	-2.3851
6	K	B	-3.3084
7	A	B	-3.3132
8	K	B	-3.3353
9	A	B	-2.8637
10	E	B	-3.4353
11	A	B	0.0000
12	E	B	-3.9181
13	A	B	-2.8629
14	K	B	-3.1547
15	A	B	-2.8358
16	K	B	-2.5973
1	A	C	-2.3054
2	E	C	-3.0043
3	A	C	-2.0510
4	E	C	0.0000
5	A	C	0.0000
6	K	C	-3.2920
7	A	C	-2.5651
8	K	C	-3.3502
9	A	C	0.0000
10	E	C	-2.9896
11	A	C	0.0000
12	E	C	-3.0426
13	A	C	0.0000
14	K	C	-3.2545
15	A	C	-2.2550
16	K	C	-2.8339
1	A	D	-1.6860
2	E	D	-2.3290
3	A	D	-2.2273
4	E	D	-2.4355
5	A	D	-2.2354
6	K	D	-3.0270
7	A	D	-2.9831
8	K	D	-2.6697
9	A	D	-2.7677
10	E	D	-3.4851
11	A	D	0.0000
12	E	D	-3.7174
13	A	D	-2.8708
14	K	D	-3.1918
15	A	D	-2.8433
16	K	D	-2.5931