Project name: A?16-22_4

Chain sequence(s)	A: KLVFFAE; C: KLVFFAE; B: KLVFFAE; D: KLVFFAE
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.                                          (00:00:24)

• Minimal score value: -1.7554
• Maximal score value: 4.5398
• Average score: 1.6827
• Total score value: 47.1146

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	-1.1715
2	L	A	1.9022
3	V	A	4.4060
4	F	A	4.5398
5	F	A	3.7017
6	A	A	0.8402
7	E	A	-1.5843
1	K	B	-1.2297
2	L	B	1.9279
3	V	B	3.7361
4	F	B	4.0013
5	F	B	3.2066
6	A	B	0.4122
7	E	B	-1.7085
1	K	C	-1.4696
2	L	C	1.6557
3	V	C	3.8216
4	F	C	4.0675
5	F	C	3.5764
6	A	C	0.7711
7	E	C	-1.4932
1	K	D	-1.7554
2	L	D	1.5459
3	V	D	4.0336
4	F	D	4.4125
5	F	D	4.3828
6	A	D	1.3657
7	E	D	-0.7800