Project name: EAK16-II_8

Chain sequence(s)	A: AEAEAKAKAEAEAKAK; C: AEAEAKAKAEAEAKAK; B: AEAEAKAKAEAEAKAK; E: AEAEAKAKAEAEAKAK; D: AEAEAKAKAEAEAKAK; G: AEAEAKAKAEAEAKAK; F: AEAEAKAKAEAEAKAK; H: AEAEAKAKAEAEAKAK
Selected Chain(s)	A,C,B,E,D,G,F,H
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:12:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:12:50)

• Minimal score value: -3.4291
• Maximal score value: 0.0
• Average score: -2.25
• Total score value: -288.0004

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	-1.3802
2	E	A	-2.4171
3	A	A	-2.4223
4	E	A	-2.7362
5	A	A	-2.2990
6	K	A	-2.8264
7	A	A	-2.7457
8	K	A	-2.8291
9	A	A	-2.3305
10	E	A	-2.7542
11	A	A	-3.0932
12	E	A	-3.3682
13	A	A	-2.4839
14	K	A	-2.9664
15	A	A	-2.4485
16	K	A	-2.5315
1	A	B	-1.9794
2	E	B	-3.0138
3	A	B	-2.5566
4	E	B	-2.8235
5	A	B	-2.8998
6	K	B	-2.8950
7	A	B	-2.4745
8	K	B	-2.8552
9	A	B	0.0000
10	E	B	-2.5674
11	A	B	-2.6903
12	E	B	-2.8912
13	A	B	-2.5804
14	K	B	-2.8424
15	A	B	-2.2572
16	K	B	-2.4118
1	A	C	-1.8373
2	E	C	-2.5959
3	A	C	-2.0652
4	E	C	-2.7737
5	A	C	0.0000
6	K	C	-2.2644
7	A	C	-2.5130
8	K	C	-2.5472
9	A	C	0.0000
10	E	C	-2.7835
11	A	C	0.0000
12	E	C	-3.1057
13	A	C	-2.9268
14	K	C	-2.9505
15	A	C	-2.3558
16	K	C	-2.6807
1	A	D	-1.5852
2	E	D	-2.1062
3	A	D	-2.2315
4	E	D	-2.8656
5	A	D	0.0000
6	K	D	-3.1721
7	A	D	-2.7720
8	K	D	-2.8806
9	A	D	0.0000
10	E	D	-2.8687
11	A	D	0.0000
12	E	D	-3.2537
13	A	D	-3.1162
14	K	D	-3.1933
15	A	D	-2.5197
16	K	D	-2.9305
1	A	E	-1.0817
2	E	E	-2.1143
3	A	E	-2.0087
4	E	E	-2.6704
5	A	E	-1.9355
6	K	E	-2.0229
7	A	E	-2.4855
8	K	E	-2.5080
9	A	E	0.0000
10	E	E	-2.6609
11	A	E	0.0000
12	E	E	-2.6092
13	A	E	-2.2417
14	K	E	-2.7765
15	A	E	-2.5272
16	K	E	-2.3623
1	A	F	-1.4616
2	E	F	-2.3668
3	A	F	-2.3867
4	E	F	-2.5901
5	A	F	-2.1913
6	K	F	-3.0953
7	A	F	-2.9790
8	K	F	-2.6265
9	A	F	-2.5181
10	E	F	-3.4291
11	A	F	0.0000
12	E	F	-3.3217
13	A	F	-2.6999
14	K	F	-3.1698
15	A	F	-2.6523
16	K	F	-2.5690
1	A	G	-1.4400
2	E	G	-1.9161
3	A	G	-2.0837
4	E	G	-2.6079
5	A	G	0.0000
6	K	G	-2.9015
7	A	G	-2.6139
8	K	G	-2.8180
9	A	G	0.0000
10	E	G	-2.8240
11	A	G	0.0000
12	E	G	-3.1101
13	A	G	-3.0473
14	K	G	-2.9209
15	A	G	-2.4911
16	K	G	-2.8953
1	A	H	-1.5424
2	E	H	-2.1117
3	A	H	-2.2038
4	E	H	-2.4443
5	A	H	-1.8673
6	K	H	-2.2446
7	A	H	-2.5285
8	K	H	-2.2489
9	A	H	0.0000
10	E	H	-2.6282
11	A	H	0.0000
12	E	H	-2.5632
13	A	H	-2.2710
14	K	H	-2.8185
15	A	H	-2.1611
16	K	H	-2.3692