Project name: f796b07ddc0fcc2

Chain sequence(s)	B: LLAADALAAEELERKLNAELPRLMAEGVTRIVWMSSPDEVIATHTIVTLP
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                                          (00:00:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:38)

• Minimal score value: -4.4898
• Maximal score value: 2.6326
• Average score: -0.6427
• Total score value: -32.136

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	L	B	1.9419
2	L	B	1.9871
3	A	B	1.1992
4	A	B	0.5696
5	D	B	-0.8133
6	A	B	-0.0313
7	L	B	0.1678
8	A	B	-1.1158
9	A	B	-1.7585
10	E	B	-3.0579
11	E	B	-3.4842
12	L	B	-2.1435
13	E	B	-3.7500
14	R	B	-4.4898
15	K	B	-3.7297
16	L	B	-2.5610
17	N	B	-2.9885
18	A	B	-2.2199
19	E	B	-2.3464
20	L	B	-1.4764
21	P	B	-1.4113
22	R	B	-2.2957
23	L	B	-1.4593
24	M	B	-0.5191
25	A	B	-1.3316
26	E	B	-2.1055
27	G	B	-1.1569
28	V	B	-0.5734
29	T	B	-0.5146
30	R	B	-1.4504
31	I	B	-0.3255
32	V	B	1.0343
33	W	B	1.6692
34	M	B	1.5223
35	S	B	0.2449
36	S	B	-0.6535
37	P	B	-1.1920
38	D	B	-2.0921
39	E	B	-1.2226
40	V	B	1.8194
41	I	B	2.6326
42	A	B	1.5380
43	T	B	0.3947
44	H	B	-0.8935
45	T	B	-0.5141
46	I	B	0.6699
47	V	B	1.9123
48	T	B	1.6312
49	L	B	1.9282
50	P	B	0.6787