Project name: 7fcac9bb1c6c8ca

Chain sequence(s)	A: GHKGHKG; C: GHKGHKG; B: GHKGHKG; E: GHKGHKG; D: GHKGHKG; G: GHKGHKG; F: GHKGHKG; I: GHKGHKG; H: GHKGHKG; K: GHKGHKG; J: GHKGHKG; L: GHKGHKG
Selected Chain(s)	A,C,B,E,D,G,F,I,H,K,J,L
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                                          (00:05:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:06)

• Minimal score value: -3.4839
• Maximal score value: 0.0
• Average score: -2.2365
• Total score value: -187.8688

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	G	A	-1.7859
2	H	A	-2.3583
3	K	A	-2.5142
4	G	A	-2.1423
5	H	A	0.0000
6	K	A	-3.1823
7	G	A	-2.5831
1	G	B	-1.6230
2	H	B	-2.7968
3	K	B	-3.4839
4	G	B	-2.8897
5	H	B	-3.2170
6	K	B	-3.1551
7	G	B	-2.3062
1	G	C	-1.4731
2	H	C	-2.3790
3	K	C	-2.4355
4	G	C	-2.1383
5	H	C	-2.5444
6	K	C	-3.1422
7	G	C	-3.1116
1	G	D	-1.8469
2	H	D	-2.5318
3	K	D	-3.0193
4	G	D	-2.7871
5	H	D	0.0000
6	K	D	-2.9185
7	G	D	0.0000
1	G	E	-1.6466
2	H	E	-2.0582
3	K	E	-2.2631
4	G	E	-1.9709
5	H	E	0.0000
6	K	E	-2.7924
7	G	E	-2.1516
1	G	F	-1.5646
2	H	F	-1.9652
3	K	F	-2.0253
4	G	F	-1.9042
5	H	F	0.0000
6	K	F	-3.0479
7	G	F	-2.4890
1	G	G	-1.6932
2	H	G	-2.1409
3	K	G	-2.4547
4	G	G	-2.1899
5	H	G	0.0000
6	K	G	-3.0009
7	G	G	-2.5572
1	G	H	-1.9947
2	H	H	-2.8003
3	K	H	-3.1099
4	G	H	-2.8250
5	H	H	-3.0442
6	K	H	-3.3611
7	G	H	-2.6503
1	G	I	-1.8445
2	H	I	-2.6788
3	K	I	-3.3406
4	G	I	-2.8220
5	H	I	-3.3706
6	K	I	-3.1037
7	G	I	-2.1837
1	G	J	-1.8954
2	H	J	-2.7400
3	K	J	-3.4406
4	G	J	-2.4741
5	H	J	-2.5744
6	K	J	-2.7950
7	G	J	-2.3575
1	G	K	-2.0437
2	H	K	-2.9192
3	K	K	-3.0542
4	G	K	-2.4123
5	H	K	0.0000
6	K	K	-2.5291
7	G	K	0.0000
1	G	L	-1.7353
2	H	L	-2.1583
3	K	L	-2.3888
4	G	L	-1.8961
5	H	L	0.0000
6	K	L	-2.8992
7	G	L	-2.1449