Project name: EAK16-II_8

Chain sequence(s)	A: AEAEAKAKAEAEAKAK; C: AEAEAKAKAEAEAKAK; B: AEAEAKAKAEAEAKAK; E: AEAEAKAKAEAEAKAK; D: AEAEAKAKAEAEAKAK; G: AEAEAKAKAEAEAKAK; F: AEAEAKAKAEAEAKAK; H: KAEAEAKAK
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]                                                (00:00:00)
[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                                          (00:08:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:13)

• Minimal score value: -3.8852
• Maximal score value: 0.0
• Average score: -2.4842
• Total score value: -300.5887

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	-1.8176
2	E	A	-3.0118
3	A	A	-2.8978
4	E	A	-3.5089
5	A	A	-2.2497
6	K	A	-2.6996
7	A	A	0.0000
8	K	A	-3.0501
9	A	A	-2.4261
10	E	A	-2.4953
11	A	A	0.0000
12	E	A	-3.1088
13	A	A	-3.0678
14	K	A	-3.2098
15	A	A	-2.6043
16	K	A	-2.8898
1	A	B	-1.2356
2	E	B	-2.3020
3	A	B	-1.8472
4	E	B	-2.4090
5	A	B	-1.3127
6	K	B	-2.1586
7	A	B	-2.3016
8	K	B	-2.7210
9	A	B	-1.9742
10	E	B	0.0000
11	A	B	0.0000
12	E	B	-3.4419
13	A	B	-2.5096
14	K	B	-2.9661
15	A	B	-2.6825
16	K	B	-2.5681
1	A	C	-1.4888
2	E	C	-2.9627
3	A	C	-2.4220
4	E	C	-3.0846
5	A	C	-2.2298
6	K	C	-2.7250
7	A	C	0.0000
8	K	C	-3.4109
9	A	C	-2.5723
10	E	C	-3.1931
11	A	C	-3.1046
12	E	C	-3.5903
13	A	C	-3.0990
14	K	C	-2.9764
15	A	C	-2.2757
16	K	C	-2.8809
1	A	D	-1.1922
2	E	D	-2.5677
3	A	D	-2.0578
4	E	D	-2.4056
5	A	D	-1.5791
6	K	D	-2.4114
7	A	D	0.0000
8	K	D	-3.2722
9	A	D	-2.0593
10	E	D	-2.9310
11	A	D	-3.4018
12	E	D	-3.4697
13	A	D	-2.8249
14	K	D	-3.0471
15	A	D	-2.4725
16	K	D	-2.7497
1	A	E	-1.4150
2	E	E	-2.4593
3	A	E	-1.6412
4	E	E	-2.2558
5	A	E	-1.4420
6	K	E	-2.2152
7	A	E	-2.2120
8	K	E	-2.8136
9	A	E	-2.1888
10	E	E	-2.6960
11	A	E	-3.0542
12	E	E	-3.4626
13	A	E	-3.1807
14	K	E	-3.4222
15	A	E	-2.4147
16	K	E	-3.0071
1	A	F	-1.4040
2	E	F	-2.7333
3	A	F	-2.5260
4	E	F	-3.2386
5	A	F	-2.4938
6	K	F	-2.8531
7	A	F	-3.3261
8	K	F	-3.8852
9	A	F	-2.7435
10	E	F	-3.1742
11	A	F	-3.2827
12	E	F	-3.5882
13	A	F	-3.2054
14	K	F	-3.4093
15	A	F	-2.4551
16	K	F	-2.8392
1	A	G	-2.0065
2	E	G	-3.2400
3	A	G	0.0000
4	E	G	-3.5428
5	A	G	-2.4565
6	K	G	-2.8409
7	A	G	-2.8478
8	K	G	-3.3810
9	A	G	-2.3278
10	E	G	-2.8974
11	A	G	0.0000
12	E	G	-3.1400
13	A	G	-2.5485
14	K	G	-3.0809
15	A	G	-2.3880
16	K	G	-2.6608
1	K	H	-2.3463
2	A	H	-2.0815
3	E	H	-2.8499
4	A	H	-2.2436
5	E	H	-2.7333
6	A	H	-2.6053
7	K	H	-2.8203
8	A	H	-2.1700
9	K	H	-2.4159