Project name: 202

Chain sequence(s)	P: KWCFRVCYRGICYRRCR
Selected Chain(s)	P
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 P 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                                          (00:00:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:17)

• Minimal score value: -2.1869
• Maximal score value: 2.3976
• Average score: -0.3148
• Total score value: -5.3511

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	K	P	-1.5326
2	W	P	-0.0330
3	C	P	-0.7442
4	F	P	-0.8429
5	R	P	-1.8678
6	V	P	0.2003
7	C	P	1.4233
8	Y	P	1.6348
9	R	P	-0.5541
10	G	P	0.3356
11	I	P	2.3976
12	C	P	1.4316
13	Y	P	0.3216
14	R	P	-2.1869
15	R	P	-1.9864
16	C	P	-1.4538
17	R	P	-1.8942