Project name: 95e53a91a18908b

Chain sequence(s)	B: MEKLMQAKELLKEMKSRLAAAKTPEEVLELYREFVGVAREIGQLMAEAEA
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                                          (00:01:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:28)

• Minimal score value: -4.0994
• Maximal score value: 0.4247
• Average score: -1.5881
• Total score value: -79.4073

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	M	B	0.0089
2	E	B	-1.7065
3	K	B	-2.0096
4	L	B	-0.9361
5	M	B	-0.9843
6	Q	B	-2.0078
7	A	B	0.0000
8	K	B	-2.8223
9	E	B	-3.5160
10	L	B	-2.2263
11	L	B	-2.2614
12	K	B	-4.0994
13	E	B	-3.8996
14	M	B	0.0000
15	K	B	-3.0983
16	S	B	-2.3654
17	R	B	-2.3307
18	L	B	-1.3509
19	A	B	-1.0032
20	A	B	-0.9909
21	A	B	-1.7494
22	K	B	-2.2312
23	T	B	-1.8891
24	P	B	-1.7010
25	E	B	-2.5672
26	E	B	-2.6382
27	V	B	-1.1793
28	L	B	-0.6566
29	E	B	-2.3067
30	L	B	0.0000
31	Y	B	0.3484
32	R	B	-1.3333
33	E	B	-0.6910
34	F	B	0.3165
35	V	B	0.4247
36	G	B	-0.7843
37	V	B	-0.5397
38	A	B	-0.7589
39	R	B	-2.3609
40	E	B	-2.2524
41	I	B	-1.6865
42	G	B	-1.7382
43	Q	B	-2.5327
44	L	B	-1.7854
45	M	B	-1.1190
46	A	B	-1.5411
47	E	B	-2.0032
48	A	B	-1.6337
49	E	B	-2.0655
50	A	B	-1.1526