Project name: 5_rank

Chain sequence(s)	B: SLEAKVYELMEKMYFDPWEAWKIAGGSRRVTHMTGKEVYEIAKKAAEEELEKEK
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                                          (00:02:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:39)

• Minimal score value: -4.9443
• Maximal score value: 1.0735
• Average score: -1.5786
• Total score value: -85.2468

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	-0.5602
2	L	B	-0.9916
3	E	B	-1.7200
4	A	B	-0.8318
5	K	B	-1.3673
6	V	B	0.0000
7	Y	B	-0.5452
8	E	B	-2.0170
9	L	B	0.0000
10	M	B	-1.0445
11	E	B	-1.8433
12	K	B	-1.4120
13	M	B	0.0000
14	Y	B	-0.1100
15	F	B	1.0735
16	D	B	0.0034
17	P	B	0.0909
18	W	B	0.7629
19	E	B	-0.1879
20	A	B	0.0000
21	W	B	-0.3296
22	K	B	-1.1031
23	I	B	-0.5534
24	A	B	0.0000
25	G	B	-1.2167
26	G	B	-1.0970
27	S	B	-1.4399
28	R	B	-2.5754
29	R	B	-2.6186
30	V	B	0.0000
31	T	B	-0.9701
32	H	B	-1.9180
33	M	B	-1.7103
34	T	B	-1.3237
35	G	B	-1.8440
36	K	B	-2.7355
37	E	B	-2.6552
38	V	B	0.0000
39	Y	B	-1.8648
40	E	B	-2.9530
41	I	B	-1.7472
42	A	B	0.0000
43	K	B	-2.8335
44	K	B	-3.4650
45	A	B	-2.5304
46	A	B	0.0000
47	E	B	-4.1711
48	E	B	-4.7692
49	E	B	-4.4565
50	L	B	-3.5780
51	E	B	-4.9101
52	K	B	-4.9443
53	E	B	-4.4519
54	K	B	-3.7812