Project name: kdwsfy

Chain sequence(s)	A: KKDDWSSFY; C: KKKDDWSSFY; B: KDDWSSFY; D: KDDDWSSSFY
Selected Chain(s)	A,C,B,D
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 all 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                                          (00:00:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:25)

• Minimal score value: -2.6943
• Maximal score value: 2.3826
• Average score: 0.1094
• Total score value: 2.6251

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	A	-1.3314
2	D	A	-1.0352
3	W	A	1.4989
4	S	A	1.0625
5	F	A	0.7540
6	Y	A	-0.7415
1	K	B	-2.6943
2	D	B	-2.1802
3	W	B	0.9349
4	S	B	1.3655
5	F	B	2.3826
6	Y	B	1.2586
1	K	C	-2.2962
2	D	C	-1.7616
3	W	C	0.8414
4	S	C	0.9417
5	F	C	1.5422
6	Y	C	0.9340
1	K	D	-1.5571
2	D	D	-1.2881
3	W	D	1.0816
4	S	D	0.9135
5	F	D	1.2237
6	Y	D	0.7756