Project name: (EAAAK)17

Chain sequence(s)	A: EAAAKEAAAKEAAAKEAAAKEAAAKEAAAKEAAAKEAAAKEAAAKEAAAKEAAAKEAAAKEAAAKEAAAKEAAAKEAAAKEAAAK
Selected Chain(s)	A
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 A 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                                          (00:01:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:53)

• Minimal score value: -3.6729
• Maximal score value: -1.5408
• Average score: -2.803
• Total score value: -238.2583

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	E	A	-2.4495
2	A	A	-1.8164
3	A	A	-1.5913
4	A	A	-1.8641
5	K	A	-3.3470
6	E	A	-3.4645
7	A	A	-2.3084
8	A	A	-2.1606
9	A	A	-2.5031
10	K	A	-3.6006
11	E	A	-3.6532
12	A	A	-2.5205
13	A	A	-2.1813
14	A	A	-2.5088
15	K	A	-3.6030
16	E	A	-3.6601
17	A	A	-2.5198
18	A	A	-2.1625
19	A	A	-2.5095
20	K	A	-3.6007
21	E	A	-3.6590
22	A	A	-2.5125
23	A	A	-2.1776
24	A	A	-2.5199
25	K	A	-3.6138
26	E	A	-3.6729
27	A	A	-2.5397
28	A	A	-2.1933
29	A	A	-2.5059
30	K	A	-3.6090
31	E	A	-3.6665
32	A	A	-2.5177
33	A	A	-2.1531
34	A	A	-2.5161
35	K	A	-3.6022
36	E	A	-3.6609
37	A	A	-2.5122
38	A	A	-2.1779
39	A	A	-2.5158
40	K	A	-3.6045
41	E	A	-3.6595
42	A	A	-2.5209
43	A	A	-2.1695
44	A	A	-2.4958
45	K	A	-3.5937
46	E	A	-3.6571
47	A	A	-2.5029
48	A	A	-2.1666
49	A	A	-2.5017
50	K	A	-3.6073
51	E	A	-3.6631
52	A	A	-2.5206
53	A	A	-2.1905
54	A	A	-2.5053
55	K	A	-3.6092
56	E	A	-3.6657
57	A	A	-2.5250
58	A	A	-2.1659
59	A	A	-2.5014
60	K	A	-3.6025
61	E	A	-3.6622
62	A	A	-2.5121
63	A	A	-2.1838
64	A	A	-2.5116
65	K	A	-3.6095
66	E	A	-3.6611
67	A	A	-2.5294
68	A	A	-2.1905
69	A	A	-2.4974
70	K	A	-3.6030
71	E	A	-3.6599
72	A	A	-2.5234
73	A	A	-2.1784
74	A	A	-2.4948
75	K	A	-3.6037
76	E	A	-3.6544
77	A	A	-2.5283
78	A	A	-2.1908
79	A	A	-2.3201
80	K	A	-3.3967
81	E	A	-3.3675
82	A	A	-2.0111
83	A	A	-1.5408
84	A	A	-1.7464
85	K	A	-2.3018