Project name: Mutant2 [mutate: KE9A, KE17A]

Chain sequence(s)	A: MEFVAKLFKFFKDLLGKFLGNN
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	KE9A,KE17A
Energy difference between WT (input) and mutated protein (by FoldX)	0.571619 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                                                       (00:00:29)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:50)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:58)
[CRITICAL]   pyMol:    Pymol encountered an error: /bin/sh: pymol: command not found Movie         
                       creation failed.                                                            (00:00:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:59)

• Minimal score value: -2.0896
• Maximal score value: 1.7283
• Average score: 0.1506
• Total score value: 3.3142

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	A	0.8215
2	E	A	-0.4718
3	F	A	1.5842
4	V	A	1.3202
5	A	A	0.0297
6	K	A	-0.7209
7	L	A	1.1156
8	F	A	1.5679
9	E	A	-0.8267	mutated: KE9A
10	F	A	1.1272
11	F	A	1.0105
12	K	A	-0.9409
13	D	A	-1.1615
14	L	A	0.5936
15	L	A	1.2471
16	G	A	-0.3863
17	E	A	-1.0958	mutated: KE17A
18	F	A	1.7283
19	L	A	1.3652
20	G	A	-0.4533
21	N	A	-2.0500
22	N	A	-2.0896