Project name: tTWO PEPTIDE

Chain sequence(s)	A: YRGVCFCRKACIKILR
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]                                                (00:00:01)
[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]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:23)

• Minimal score value: -1.6027
• Maximal score value: 2.2697
• Average score: 0.4738
• Total score value: 7.5804

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	Y	A	0.5309
2	R	A	-0.9854
3	G	A	0.3941
4	V	A	1.8038
5	C	A	1.9331
6	F	A	2.2697
7	C	A	0.9133
8	R	A	-1.2566
9	K	A	-1.6027
10	A	A	0.1248
11	C	A	1.0488
12	I	A	0.5103
13	K	A	-0.7140
14	I	A	1.5676
15	L	A	1.6256
16	R	A	-0.5829