Project name: A?42 [mutate: FL19A, FL20A]

Chain sequence(s)	A: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	FL20A,FL19A
Energy difference between WT (input) and mutated protein (by FoldX)	0.539808 kcal/mol

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       FoldX:    Building mutant model                                                       (00:00:22)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:33)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:55)

• Minimal score value: -3.04
• Maximal score value: 3.8544
• Average score: 0.1254
• Total score value: 5.2688

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	D	A	-2.7207
2	A	A	-2.4196
3	E	A	-2.5524
4	F	A	-0.9683
5	R	A	-2.7362
6	H	A	-3.0400
7	D	A	-2.5851
8	S	A	-1.3294
9	G	A	-0.5965
10	Y	A	-0.1685
11	E	A	-0.9226
12	V	A	0.5801
13	H	A	-1.0233
14	H	A	-1.0415
15	Q	A	-0.2826
16	K	A	-0.9334
17	L	A	0.4864
18	V	A	0.3599
19	L	A	1.4040	mutated: FL19A
20	L	A	1.5502	mutated: FL20A
21	A	A	0.3559
22	E	A	-1.0331
23	D	A	-1.4446
24	V	A	-0.5013
25	G	A	-1.3371
26	S	A	-1.5147
27	N	A	-2.0125
28	K	A	-1.7892
29	G	A	-0.2551
30	A	A	0.2925
31	I	A	2.3490
32	I	A	3.2138
33	G	A	2.3467
34	L	A	3.0683
35	M	A	3.4458
36	V	A	2.9580
37	G	A	1.9947
38	G	A	1.8610
39	V	A	3.0341
40	V	A	3.8544
41	I	A	3.4867
42	A	A	1.8350