Project name: be805b49c5ca19d

Chain sequence(s)	B: LALMKALMDGIMAAFKVAEKLIAQLSEETRAKALAEQKAFKARIAELVAK
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                                          (00:01:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:49)

• Minimal score value: -3.3265
• Maximal score value: 1.8797
• Average score: -1.0242
• Total score value: -51.2085

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	1.8797
2	A	B	1.1158
3	L	B	1.8489
4	M	B	1.0840
5	K	B	-0.6529
6	A	B	-0.0666
7	L	B	0.5581
8	M	B	-0.3816
9	D	B	-1.6810
10	G	B	-1.1089
11	I	B	-0.5637
12	M	B	-0.5210
13	A	B	-0.6066
14	A	B	-0.2979
15	F	B	0.0000
16	K	B	-1.6202
17	V	B	0.2172
18	A	B	-0.5774
19	E	B	-2.2013
20	K	B	-1.9243
21	L	B	-0.3981
22	I	B	0.0000
23	A	B	-1.1617
24	Q	B	-1.4705
25	L	B	-0.9420
26	S	B	-1.8276
27	E	B	-3.3173
28	E	B	-3.3265
29	T	B	-2.3541
30	R	B	-2.7231
31	A	B	-2.2309
32	K	B	-3.0762
33	A	B	-2.1238
34	L	B	-1.2903
35	A	B	-1.7032
36	E	B	-2.4021
37	Q	B	0.0000
38	K	B	-2.3613
39	A	B	-1.3490
40	F	B	-0.7588
41	K	B	-1.5812
42	A	B	-1.5867
43	R	B	-1.8693
44	I	B	-0.5392
45	A	B	-0.9163
46	E	B	-1.8995
47	L	B	-0.2063
48	V	B	0.0591
49	A	B	-0.8557
50	K	B	-1.4972