Project name: 4d85f39696f23d3

Chain sequence(s)	B: SFYEQLMAALERVRALAAKMEAEGNEELAAALKKMAELLAAKAEEVKALL
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                                          (00:01:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:32)

• Minimal score value: -3.8318
• Maximal score value: 1.3112
• Average score: -1.7031
• Total score value: -85.1535

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	-0.1361
2	F	B	0.7713
3	Y	B	-0.9043
4	E	B	-1.8277
5	Q	B	-1.4672
6	L	B	0.0000
7	M	B	-1.4643
8	A	B	-1.5974
9	A	B	-1.8038
10	L	B	0.0000
11	E	B	-3.1974
12	R	B	-2.9510
13	V	B	-2.5112
14	R	B	-3.6119
15	A	B	-2.3820
16	L	B	-1.4927
17	A	B	0.0000
18	A	B	-2.5114
19	K	B	-2.7338
20	M	B	-2.9924
21	E	B	-3.8318
22	A	B	-2.7282
23	E	B	-3.4149
24	G	B	-3.1784
25	N	B	-3.4302
26	E	B	-3.7199
27	E	B	-2.9944
28	L	B	-1.9249
29	A	B	0.0000
30	A	B	-2.0650
31	A	B	-1.4018
32	L	B	-1.8149
33	K	B	-2.8133
34	K	B	-2.3792
35	M	B	-0.9827
36	A	B	0.0000
37	E	B	-2.2677
38	L	B	-0.4103
39	L	B	-1.0097
40	A	B	-1.4848
41	A	B	-1.6903
42	K	B	-2.3696
43	A	B	0.0000
44	E	B	-3.0483
45	E	B	-2.9527
46	V	B	0.0000
47	K	B	-1.9957
48	A	B	-0.8060
49	L	B	1.0633
50	L	B	1.3112