Project name: KLD-12_4

Chain sequence(s)	A: KLDLKLDLKLDL; C: KLDLKLDLKLDL; B: KLDLKLDLKLDL; D: KLDLKLDLKLDL
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                                          (00:01:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:32)

• Minimal score value: -2.8091
• Maximal score value: 0.6218
• Average score: -1.3789
• Total score value: -66.1886

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	-1.2957
2	L	A	-0.2266
3	D	A	-1.0343
4	L	A	-0.7370
5	K	A	-1.4099
6	L	A	-0.4682
7	D	A	-1.8367
8	L	A	-1.1208
9	K	A	-2.2839
10	L	A	-1.0180
11	D	A	-1.3889
12	L	A	0.3160
1	K	B	-1.6589
2	L	B	-1.0918
3	D	B	-2.1917
4	L	B	-1.5315
5	K	B	-2.2942
6	L	B	-1.0269
7	D	B	-1.4728
8	L	B	-0.6940
9	K	B	-1.4824
10	L	B	-0.6984
11	D	B	-1.2586
12	L	B	0.4056
1	K	C	-1.5966
2	L	C	-0.7887
3	D	C	-1.9441
4	L	C	-1.5075
5	K	C	-2.6399
6	L	C	-1.6618
7	D	C	-2.7739
8	L	C	-1.5911
9	K	C	-2.4423
10	L	C	-1.2493
11	D	C	-1.7235
12	L	C	0.1603
1	K	D	-1.7552
2	L	D	-1.2251
3	D	D	-2.5327
4	L	D	-1.9105
5	K	D	-2.6860
6	L	D	-1.6363
7	D	D	-2.8091
8	L	D	-1.4869
9	K	D	-2.0398
10	L	D	-0.6840
11	D	D	-0.7868
12	L	D	0.6218