Project name: KLD-12_2

Chain sequence(s)	A: KLDLKLDLKLDL; B: KLDLKLDLKLDL
Selected Chain(s)	A,B
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                                          (00:00:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:56)

• Minimal score value: -2.1155
• Maximal score value: 0.6791
• Average score: -1.0597
• Total score value: -25.4331

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	-1.8895
2	L	A	-1.5489
3	D	A	-1.9661
4	L	A	-0.6481
5	K	A	-2.1155
6	L	A	-1.6286
7	D	A	-1.6392
8	L	A	-0.3830
9	K	A	-1.1050
10	L	A	-0.0475
11	D	A	-1.0005
12	L	A	0.6791
1	K	B	-1.7696
2	L	B	-1.5419
3	D	B	-1.8965
4	L	B	-0.3897
5	K	B	-1.5179
6	L	B	-1.4046
7	D	B	-1.5576
8	L	B	-0.4537
9	K	B	-1.0919
10	L	B	-0.0624
11	D	B	-1.0470
12	L	B	0.5925