Project name: aac4916c5db49f1

Chain sequence(s)	B: LAFKDELMESLEKLKKVLEKLEELLDEETAEKVKEKFKEIEEKVKELIEK
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]                                                (00:00:01)
[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 B 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                                          (00:02:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:24)

• Minimal score value: -5.0713
• Maximal score value: 1.3707
• Average score: -2.5738
• Total score value: -128.6924

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	L	B	1.3707
2	A	B	0.5916
3	F	B	0.9956
4	K	B	-0.6755
5	D	B	-2.1545
6	E	B	-2.5254
7	L	B	-1.5573
8	M	B	-2.2677
9	E	B	-3.6695
10	S	B	-2.8450
11	L	B	0.0000
12	E	B	-3.7468
13	K	B	-3.3038
14	L	B	-1.6050
15	K	B	-3.1826
16	K	B	-3.1740
17	V	B	-1.1220
18	L	B	-1.6871
19	E	B	-3.0344
20	K	B	-2.5561
21	L	B	-1.0093
22	E	B	-3.0642
23	E	B	-2.4685
24	L	B	-0.2501
25	L	B	-1.4675
26	D	B	-3.2511
27	E	B	-4.3373
28	E	B	-4.3534
29	T	B	-2.9569
30	A	B	0.0000
31	E	B	-5.0713
32	K	B	-4.7565
33	V	B	-3.4487
34	K	B	-4.5987
35	E	B	-5.0115
36	K	B	-4.4665
37	F	B	0.0000
38	K	B	-4.6618
39	E	B	-4.5836
40	I	B	-2.9054
41	E	B	-3.6694
42	E	B	-4.2296
43	K	B	-3.6264
44	V	B	-2.2987
45	K	B	-3.2844
46	E	B	-3.6511
47	L	B	-1.7104
48	I	B	-1.6708
49	E	B	-3.0388
50	K	B	-2.7017