Project name: dccb90f9d5a9dd3cfd868946f1b38e25

Chain sequence(s)	B: CGSGMKLDLSSLSVEELEELLKSFEKVLEEEEKDLNRYPGSTLEENKKAVEEVKEALEKKKKEL
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with B chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:49)

• Minimal score value: -4.8145
• Maximal score value: 0.2428
• Average score: -2.5124
• Total score value: -160.793

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	C	B	0.2428
2	G	B	-0.8006
3	S	B	-0.4923
4	G	B	-0.6312
5	M	B	0.1373
6	K	B	-1.0606
7	L	B	-0.3341
8	D	B	-1.4040
9	L	B	-1.2245
10	S	B	-0.7187
11	S	B	-0.6721
12	L	B	-0.9615
13	S	B	-1.6779
14	V	B	-2.4225
15	E	B	-3.4176
16	E	B	-3.5820
17	L	B	0.0000
18	E	B	-3.9045
19	E	B	-4.1261
20	L	B	-2.6125
21	L	B	-3.2812
22	K	B	-3.5571
23	S	B	-2.1283
24	F	B	-2.1180
25	E	B	-3.6150
26	K	B	-3.5378
27	V	B	-2.2503
28	L	B	-3.3777
29	E	B	-4.4272
30	E	B	-4.0412
31	E	B	0.0000
32	E	B	-4.0886
33	K	B	-4.0228
34	D	B	-3.4290
35	L	B	-1.9004
36	N	B	-2.4866
37	R	B	-3.0016
38	Y	B	-1.8479
39	P	B	-1.4350
40	G	B	-1.7076
41	S	B	-1.6747
42	T	B	-1.8992
43	L	B	-2.5136
44	E	B	-3.6644
45	E	B	-3.7662
46	N	B	0.0000
47	K	B	-4.0147
48	K	B	-4.5020
49	A	B	-3.4466
50	V	B	0.0000
51	E	B	-4.5041
52	E	B	-4.2382
53	V	B	0.0000
54	K	B	-4.2297
55	E	B	-4.6088
56	A	B	-3.7601
57	L	B	-4.1448
58	E	B	-4.8145
59	K	B	-4.4216
60	K	B	-3.4202
61	K	B	-3.7322
62	K	B	-3.8646
63	E	B	-3.0775
64	L	B	-0.5794