Project name: 65d262c762f02c

Chain sequence(s)	B: SAELKEMAERMEKAIEIAERFAKEYPELKEHLEKMKKKYEELRDRILKTM
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                                          (00:02:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:45)

• Minimal score value: -4.5615
• Maximal score value: 0.0
• Average score: -2.5011
• Total score value: -125.0535

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	-0.8928
2	A	B	-1.5231
3	E	B	-2.7083
4	L	B	-1.9758
5	K	B	-2.8782
6	E	B	-3.6335
7	M	B	-2.5656
8	A	B	0.0000
9	E	B	-4.5615
10	R	B	-4.2062
11	M	B	-3.3311
12	E	B	-3.8314
13	K	B	-3.5094
14	A	B	-2.1769
15	I	B	0.0000
16	E	B	-2.2417
17	I	B	-0.5485
18	A	B	0.0000
19	E	B	-2.5070
20	R	B	-2.6034
21	F	B	-1.2466
22	A	B	0.0000
23	K	B	-3.2163
24	E	B	-2.9986
25	Y	B	-1.8182
26	P	B	-2.3248
27	E	B	-2.6979
28	L	B	-2.4024
29	K	B	-3.7812
30	E	B	-3.8371
31	H	B	-3.2000
32	L	B	0.0000
33	E	B	-3.8768
34	K	B	-4.1053
35	M	B	-3.1047
36	K	B	-3.5497
37	K	B	-4.0942
38	K	B	-3.8200
39	Y	B	-3.2805
40	E	B	-3.8597
41	E	B	-3.9443
42	L	B	-2.5784
43	R	B	-3.4125
44	D	B	-3.2506
45	R	B	-3.1478
46	I	B	-1.7915
47	L	B	-1.1300
48	K	B	-2.0148
49	T	B	-0.8545
50	M	B	-0.0207