Project name: 8a48eda896ba2f4

Chain sequence(s)	A: QQKFQFQFEQQ; C: QQKFQFQFEQQ; B: QQKFQFQFEQQ; D: QQKFQFQFEQQ
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                                          (00:02:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:45)

• Minimal score value: -3.4999
• Maximal score value: 1.8755
• Average score: -1.0959
• Total score value: -48.2183

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	Q	A	-3.4549
2	Q	A	-2.6416
3	K	A	-1.7497
4	F	A	0.8249
5	Q	A	0.3745
6	F	A	1.4793
7	Q	A	0.1662
8	F	A	0.3172
9	E	A	-2.0781
10	Q	A	-2.6893
11	Q	A	-3.2525
1	Q	B	-3.4999
2	Q	B	-2.8350
3	K	B	-2.1923
4	F	B	0.2831
5	Q	B	0.0715
6	F	B	1.5977
7	Q	B	0.4280
8	F	B	0.6518
9	E	B	-1.8592
10	Q	B	-2.6063
11	Q	B	-3.2606
1	Q	C	-2.8242
2	Q	C	-2.7323
3	K	C	-1.8756
4	F	C	1.1026
5	Q	C	0.5608
6	F	C	1.8755
7	Q	C	0.0801
8	F	C	0.1949
9	E	C	-2.5929
10	Q	C	-2.9096
11	Q	C	-2.9308
1	Q	D	-2.7899
2	Q	D	-2.6258
3	K	D	-1.7353
4	F	D	0.9945
5	Q	D	0.1704
6	F	D	1.8684
7	Q	D	0.2175
8	F	D	0.9667
9	E	D	-1.8801
10	Q	D	-2.5678
11	Q	D	-2.8602