Project name: 6bc5ab64eedcdea

Chain sequence(s)	B: SFADELKASLEKVKALAEKMKAEGNEELAKALEQMAKKLAEILEKVEKTL
Selected Chain(s)	B
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 B 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                                          (00:02:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:14)

• Minimal score value: -4.4786
• Maximal score value: 0.3553
• Average score: -2.4115
• Total score value: -120.5763

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	S	B	-0.4663
2	F	B	0.3553
3	A	B	-1.2316
4	D	B	-2.6317
5	E	B	-2.5253
6	L	B	0.0000
7	K	B	-2.6253
8	A	B	-2.4428
9	S	B	-2.3996
10	L	B	0.0000
11	E	B	-3.3632
12	K	B	-3.1142
13	V	B	0.0000
14	K	B	-3.3333
15	A	B	-2.7012
16	L	B	-1.9811
17	A	B	0.0000
18	E	B	-4.1977
19	K	B	-3.3841
20	M	B	-3.4933
21	K	B	-4.4786
22	A	B	-3.0363
23	E	B	-3.4855
24	G	B	-3.1615
25	N	B	-3.6379
26	E	B	-4.3197
27	E	B	-3.4119
28	L	B	-2.5779
29	A	B	0.0000
30	K	B	-3.7279
31	A	B	-2.0469
32	L	B	-2.5219
33	E	B	-3.7164
34	Q	B	-2.9202
35	M	B	-1.9493
36	A	B	0.0000
37	K	B	-3.4351
38	K	B	-3.1905
39	L	B	-2.2165
40	A	B	-2.6000
41	E	B	-3.3669
42	I	B	-1.9928
43	L	B	-2.7314
44	E	B	-3.8524
45	K	B	-3.3964
46	V	B	-1.7954
47	E	B	-3.1671
48	K	B	-2.9928
49	T	B	-1.3645
50	L	B	0.0528