Project name: 39fd693f2f07fab

Chain sequence(s)	B: AALDALMAALEERYAKTKAVMDELLALGQITPEQKEKMLALAEKLREAAL
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                                          (00:00:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:58)

• Minimal score value: -3.853
• Maximal score value: 1.3685
• Average score: -1.2736
• Total score value: -63.6799

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	A	B	0.1260
2	A	B	0.5918
3	L	B	1.3685
4	D	B	-0.3846
5	A	B	0.1054
6	L	B	0.8305
7	M	B	-0.3138
8	A	B	-1.0946
9	A	B	-1.1917
10	L	B	-1.8361
11	E	B	-3.2952
12	E	B	-3.7721
13	R	B	-3.8530
14	Y	B	-2.6695
15	A	B	-2.5611
16	K	B	-3.0351
17	T	B	-1.9975
18	K	B	-2.2204
19	A	B	-1.1650
20	V	B	0.0091
21	M	B	-0.8312
22	D	B	-1.1432
23	E	B	-1.1941
24	L	B	-0.2833
25	L	B	-0.3436
26	A	B	0.1200
27	L	B	0.7129
28	G	B	-0.3062
29	Q	B	-0.9552
30	I	B	-0.9555
31	T	B	-1.5880
32	P	B	-2.2608
33	E	B	-3.5693
34	Q	B	-3.2877
35	K	B	-2.8986
36	E	B	-3.7047
37	K	B	-3.2493
38	M	B	-1.7732
39	L	B	-1.5789
40	A	B	-1.3013
41	L	B	-0.4038
42	A	B	-1.2363
43	E	B	-1.9326
44	K	B	-1.6741
45	L	B	0.1216
46	R	B	-1.2158
47	E	B	-1.6901
48	A	B	-0.5274
49	A	B	0.5053
50	L	B	1.1229