Project name: 3111M

Chain sequence(s)	A: FDFDFDFDFDFDFDFDFDFDFDFDFDFDFDFDFDFDFDFD
Selected Chain(s)	A
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 A 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                                          (00:00:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:07)

• Minimal score value: -1.452
• Maximal score value: 1.9063
• Average score: 0.2529
• Total score value: 10.1152

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	F	A	1.4645
2	D	A	-0.3261
3	F	A	0.7349
4	D	A	-1.2733
1	F	A	1.9063
2	D	A	-0.1989
3	F	A	0.9287
4	D	A	-1.2733
1	F	A	1.9063
2	D	A	-0.1989
3	F	A	0.9287
4	D	A	-1.2733
1	F	A	1.7125
2	D	A	-0.1989
3	F	A	0.7349
4	D	A	-1.2733
1	F	A	1.7125
2	D	A	-0.1989
3	F	A	0.7349
4	D	A	-1.2733
1	F	A	1.7125
2	D	A	-0.1989
3	F	A	0.7349
4	D	A	-1.2733
1	F	A	1.7125
2	D	A	-0.1989
3	F	A	0.7349
4	D	A	-1.4520
1	F	A	1.7125
2	D	A	-0.1989
3	F	A	0.7349
4	D	A	-1.4520
1	F	A	1.7125
2	D	A	-0.1989
3	F	A	0.7349
4	D	A	-1.2733
1	F	A	1.7125
2	D	A	-0.1989
3	F	A	0.8207
4	D	A	-1.0385