Project name: LC1_5

Chain sequence(s)	A: AKKEELLKKAEEAEDKAYKLMAEALTLASKESNEAAGKVARAYAAALNKGKEAGKEYAKEAAKLAKRGEELLKLANEALDALEESKKLRKEAKEL
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]                                                (00:00:00)
[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 A 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                                          (00:03:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:51)

• Minimal score value: -5.0622
• Maximal score value: 0.0
• Average score: -2.1444
• Total score value: -203.7214

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	-2.0405
2	K	A	-3.3063
3	K	A	-3.9336
4	E	A	-3.7090
5	E	A	-4.1997
6	L	A	-4.2136
7	L	A	-4.2061
8	K	A	-4.6683
9	K	A	-4.1742
10	A	A	0.0000
11	E	A	-4.9750
12	E	A	-4.7950
13	A	A	-4.1262
14	E	A	-4.2543
15	D	A	-4.3301
16	K	A	-4.1649
17	A	A	0.0000
18	Y	A	-1.6108
19	K	A	-2.6696
20	L	A	-2.1307
21	M	A	0.0000
22	A	A	-1.0786
23	E	A	-1.8315
24	A	A	0.0000
25	L	A	-0.7742
26	T	A	-0.8930
27	L	A	-1.3798
28	A	A	0.0000
29	S	A	-1.8608
30	K	A	-2.2422
31	E	A	-2.1898
32	S	A	-2.0381
33	N	A	-2.5905
34	E	A	-2.6714
35	A	A	0.0000
36	A	A	-1.6715
37	G	A	-1.8573
38	K	A	-2.1910
39	V	A	0.0000
40	A	A	-1.1470
41	R	A	-2.0682
42	A	A	0.0000
43	Y	A	0.0000
44	A	A	-0.9108
45	A	A	0.0000
46	A	A	0.0000
47	L	A	-0.5345
48	N	A	-1.7311
49	K	A	-2.5039
50	G	A	-2.0775
51	K	A	-2.5791
52	E	A	-3.0637
53	A	A	-2.3902
54	G	A	0.0000
55	K	A	-2.7307
56	E	A	-3.2262
57	Y	A	-2.3824
58	A	A	0.0000
59	K	A	-2.9120
60	E	A	-2.4994
61	A	A	0.0000
62	A	A	-2.5323
63	K	A	-2.5518
64	L	A	-1.6446
65	A	A	-2.5801
66	K	A	-3.1212
67	R	A	-3.1528
68	G	A	0.0000
69	E	A	-3.6435
70	E	A	-2.9582
71	L	A	0.0000
72	L	A	-2.5512
73	K	A	-2.8685
74	L	A	-2.1915
75	A	A	0.0000
76	N	A	-2.4204
77	E	A	-2.6836
78	A	A	0.0000
79	L	A	0.0000
80	D	A	-3.2729
81	A	A	0.0000
82	L	A	0.0000
83	E	A	-2.4959
84	E	A	-3.3329
85	S	A	0.0000
86	K	A	-3.2604
87	K	A	-3.7053
88	L	A	-4.3396
89	R	A	-5.0622
90	K	A	-4.7903
91	E	A	-4.5455
92	A	A	0.0000
93	K	A	-3.7723
94	E	A	-3.2856
95	L	A	-1.4245