Project name: 37bfeb7951d794c

Chain sequence(s)	B: ELAEIKAKMDGFMEAKKLMEEIAEQYGLPLNSESYKNFMKSLKKLEEALK
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                                          (00:02:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:05)

• Minimal score value: -3.7141
• Maximal score value: 0.3208
• Average score: -1.8316
• Total score value: -91.5782

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	E	B	-1.8931
2	L	B	-0.5118
3	A	B	-1.3772
4	E	B	-2.7671
5	I	B	-1.7229
6	K	B	-2.6904
7	A	B	-2.3817
8	K	B	-2.5196
9	M	B	-2.0738
10	D	B	-3.0129
11	G	B	-2.1220
12	F	B	-0.8083
13	M	B	-1.3621
14	E	B	-2.4105
15	A	B	-1.1239
16	K	B	-1.2492
17	K	B	-2.0718
18	L	B	-0.4074
19	M	B	-0.6437
20	E	B	-1.8698
21	E	B	-2.3006
22	I	B	-0.6473
23	A	B	0.0000
24	E	B	-2.2017
25	Q	B	-1.6593
26	Y	B	0.1198
27	G	B	-0.4268
28	L	B	0.3208
29	P	B	-0.2646
30	L	B	-1.1372
31	N	B	-1.9744
32	S	B	-1.9129
33	E	B	-2.8977
34	S	B	-2.0937
35	Y	B	-2.0052
36	K	B	-3.1081
37	N	B	-3.0952
38	F	B	-1.6798
39	M	B	-2.0538
40	K	B	-3.3539
41	S	B	-2.5664
42	L	B	0.0000
43	K	B	-3.7141
44	K	B	-3.5146
45	L	B	-2.1318
46	E	B	-3.1935
47	E	B	-3.4960
48	A	B	-1.9212
49	L	B	-1.4445
50	K	B	-2.2053