Project name: 10a5ae848b1ab5a

Chain sequence(s)	A: DEEELKKQIEEYKKKLNELAKEIFRAESLEAELKEKDPEKAKEAAAKLEELLAEFRKLAKELAKLAKS
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                                          (00:02:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:46)

• Minimal score value: -5.2159
• Maximal score value: 0.0
• Average score: -2.9861
• Total score value: -203.0542

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	D	A	-4.2162
2	E	A	-4.7959
3	E	A	-5.1614
4	E	A	-5.1490
5	L	A	-4.1300
6	K	A	-5.0259
7	K	A	-5.2159
8	Q	A	-3.9712
9	I	A	-3.3854
10	E	A	-4.4563
11	E	A	-4.5518
12	Y	A	-3.5367
13	K	A	-4.1167
14	K	A	-4.7462
15	K	A	-3.9222
16	L	A	0.0000
17	N	A	-4.0080
18	E	A	-4.0588
19	L	A	0.0000
20	A	A	-1.8728
21	K	A	-2.5359
22	E	A	-2.3947
23	I	A	0.0000
24	F	A	-0.1333
25	R	A	-1.9093
26	A	A	0.0000
27	E	A	-2.0350
28	S	A	-1.3032
29	L	A	-1.1744
30	E	A	-3.1522
31	A	A	-2.5054
32	E	A	-3.5702
33	L	A	-4.3981
34	K	A	-4.7054
35	E	A	-4.2643
36	K	A	-4.4000
37	D	A	-4.3271
38	P	A	-4.3411
39	E	A	-4.3184
40	K	A	-4.4770
41	A	A	-4.5274
42	K	A	-4.3069
43	E	A	-4.0540
44	A	A	0.0000
45	A	A	-3.0244
46	A	A	-2.7376
47	K	A	-2.9553
48	L	A	0.0000
49	E	A	-3.2242
50	E	A	-3.0240
51	L	A	-2.1765
52	L	A	-1.8446
53	A	A	-2.3006
54	E	A	-2.6032
55	F	A	-2.4455
56	R	A	-2.9058
57	K	A	-3.3276
58	L	A	-2.5500
59	A	A	-2.5677
60	K	A	-3.4825
61	E	A	-2.7199
62	L	A	-2.4010
63	A	A	-1.8531
64	K	A	-2.8529
65	L	A	-1.7355
66	A	A	-1.6881
67	K	A	-2.2089
68	S	A	-1.2716