Project name: 847a82fe1fe8432

Chain sequence(s)	B: SALAAELEALEAQAAALWAQLQQAAADPELRMKLFVEYAKVVARRLELLK
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                                          (00:00:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:52)

• Minimal score value: -2.5531
• Maximal score value: 0.9183
• Average score: -0.8502
• Total score value: -42.5088

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	0.0370
2	A	B	0.0516
3	L	B	0.7251
4	A	B	-0.0164
5	A	B	-0.7865
6	E	B	-1.4511
7	L	B	-1.1082
8	E	B	-2.4345
9	A	B	-1.6233
10	L	B	0.0000
11	E	B	-2.1736
12	A	B	-1.2790
13	Q	B	-1.1163
14	A	B	-0.7583
15	A	B	-0.0865
16	A	B	-0.1506
17	L	B	0.1154
18	W	B	0.4128
19	A	B	-0.4380
20	Q	B	-0.8180
21	L	B	-0.7222
22	Q	B	-1.7735
23	Q	B	-1.9012
24	A	B	0.0000
25	A	B	-1.0377
26	A	B	-0.9986
27	D	B	-1.7074
28	P	B	-1.8347
29	E	B	-2.3262
30	L	B	-1.3130
31	R	B	-1.7653
32	M	B	-0.4315
33	K	B	-1.3745
34	L	B	0.0000
35	F	B	0.9183
36	V	B	0.2706
37	E	B	-0.9907
38	Y	B	0.1153
39	A	B	-0.5582
40	K	B	-1.8679
41	V	B	0.0000
42	V	B	-1.0602
43	A	B	-1.3715
44	R	B	-2.5531
45	R	B	-1.7878
46	L	B	-0.3481
47	E	B	-1.8976
48	L	B	-0.4070
49	L	B	0.5658
50	K	B	-1.4525