Project name: EAK16-II_12

Chain sequence(s)	A: AEAEAKAKAEAEAKAK; C: AEAEAKAKAEAEAKAK; B: AEAEAKAKAEAEAKAK; E: AEAEAKAKAEAEAKAK; D: AEAEAKAKAEAEAKAK; G: AEAEAKAKAEAEAKAK; F: AEAEAKAKAEAEAKAK; I: AEAEAKAKAEAEAKAK; H: AEAEAKAKAEAEAKAK; K: AEAEAKAKAEAEAKAK; J: AEAEAKAKAEAEAKAK; L: AEAEAKAKAEAEAKAK
Selected Chain(s)	A,C,B,E,D,G,F,I,H,K,J,L
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:17:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:17:19)

• Minimal score value: -4.674
• Maximal score value: 0.0
• Average score: -2.8493
• Total score value: -547.0729

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	-1.6255
2	E	A	-3.1378
3	A	A	0.0000
4	E	A	-3.2323
5	A	A	-2.4953
6	K	A	-3.0586
7	A	A	0.0000
8	K	A	-3.3421
9	A	A	-2.7496
10	E	A	-3.5360
11	A	A	-3.5804
12	E	A	-3.6726
13	A	A	-2.9131
14	K	A	-3.2089
15	A	A	-2.4596
16	K	A	-2.6344
1	A	B	-1.7556
2	E	B	-2.8093
3	A	B	-2.5799
4	E	B	-3.1697
5	A	B	-3.1795
6	K	B	-3.4716
7	A	B	-3.0924
8	K	B	-3.3424
9	A	B	0.0000
10	E	B	-3.7624
11	A	B	-3.1515
12	E	B	-3.1872
13	A	B	-3.1189
14	K	B	-2.9562
15	A	B	-2.2595
16	K	B	-2.5492
1	A	C	-1.4268
2	E	C	-2.2292
3	A	C	-1.7925
4	E	C	-2.5125
5	A	C	-2.2910
6	K	C	-3.0772
7	A	C	-2.7156
8	K	C	-3.4088
9	A	C	-3.2079
10	E	C	-3.6709
11	A	C	-3.7338
12	E	C	-3.6163
13	A	C	-3.3389
14	K	C	-3.1569
15	A	C	-2.6633
16	K	C	-2.6432
1	A	D	-1.5892
2	E	D	-2.1474
3	A	D	-2.4664
4	E	D	-3.0658
5	A	D	-1.9561
6	K	D	-2.4674
7	A	D	0.0000
8	K	D	-2.9135
9	A	D	-2.5549
10	E	D	-2.6598
11	A	D	-3.2102
12	E	D	-3.4729
13	A	D	-3.3230
14	K	D	-3.0715
15	A	D	-2.6742
16	K	D	-2.5488
1	A	E	-2.0156
2	E	E	-2.8054
3	A	E	-3.1881
4	E	E	-3.6594
5	A	E	-2.8755
6	K	E	-3.4036
7	A	E	0.0000
8	K	E	-4.0365
9	A	E	0.0000
10	E	E	-3.7167
11	A	E	-3.9640
12	E	E	-3.2536
13	A	E	-3.4172
14	K	E	-3.7637
15	A	E	-2.5124
16	K	E	-2.6914
1	A	F	-1.7502
2	E	F	-2.5417
3	A	F	0.0000
4	E	F	-3.8679
5	A	F	-3.2885
6	K	F	-3.8979
7	A	F	0.0000
8	K	F	-4.4590
9	A	F	-3.9725
10	E	F	-3.9281
11	A	F	0.0000
12	E	F	-3.9817
13	A	F	0.0000
14	K	F	-3.5262
15	A	F	-2.7112
16	K	F	-2.9190
1	A	G	-1.7523
2	E	G	-2.5360
3	A	G	0.0000
4	E	G	-3.7860
5	A	G	-3.4044
6	K	G	-3.7597
7	A	G	0.0000
8	K	G	-4.6740
9	A	G	-4.2647
10	E	G	-4.5034
11	A	G	-4.1861
12	E	G	-4.0319
13	A	G	-4.1312
14	K	G	-3.2534
15	A	G	-2.7267
16	K	G	-2.8373
1	A	H	-1.9049
2	E	H	-2.6349
3	A	H	-2.6685
4	E	H	-3.5429
5	A	H	-3.5732
6	K	H	-4.0219
7	A	H	-3.5949
8	K	H	-4.1761
9	A	H	-4.2325
10	E	H	-4.0995
11	A	H	-3.4621
12	E	H	-3.7888
13	A	H	-3.9606
14	K	H	-3.2140
15	A	H	-2.4583
16	K	H	-2.6142
1	A	I	-1.0825
2	E	I	-2.0565
3	A	I	-2.0855
4	E	I	-2.9212
5	A	I	-2.8401
6	K	I	-3.7395
7	A	I	-2.9789
8	K	I	-3.5874
9	A	I	-3.6251
10	E	I	-3.9060
11	A	I	-3.2034
12	E	I	-3.7443
13	A	I	-3.2895
14	K	I	-3.2428
15	A	I	-2.4981
16	K	I	-2.6580
1	A	J	-1.9720
2	E	J	-3.0037
3	A	J	-3.0210
4	E	J	-3.6552
5	A	J	-3.0063
6	K	J	-3.6948
7	A	J	-3.1459
8	K	J	-3.5264
9	A	J	-3.1474
10	E	J	-3.6730
11	A	J	-3.0096
12	E	J	-3.3115
13	A	J	-2.9324
14	K	J	-3.0820
15	A	J	-2.3304
16	K	J	-2.5751
1	A	K	-1.5143
2	E	K	-2.1557
3	A	K	-1.9606
4	E	K	-2.2283
5	A	K	-2.3765
6	K	K	-3.4831
7	A	K	-2.6177
8	K	K	-3.2947
9	A	K	0.0000
10	E	K	-4.0428
11	A	K	-2.8910
12	E	K	-3.7447
13	A	K	-4.1257
14	K	K	-3.7047
15	A	K	-2.3608
16	K	K	-2.6431
1	A	L	-1.3571
2	E	L	-2.5075
3	A	L	-2.3899
4	E	L	-2.8474
5	A	L	-2.5604
6	K	L	-3.3364
7	A	L	-3.6884
8	K	L	-3.8992
9	A	L	-2.9618
10	E	L	-3.4682
11	A	L	0.0000
12	E	L	-4.1485
13	A	L	-2.8199
14	K	L	-3.5079
15	A	L	-3.4842
16	K	L	-2.8281