Project name: FKFEKGH12

Chain sequence(s)	A: FKFEKGH; C: FKFEKGH; B: FKFEKGH; E: FKFEKGH; D: FKFEKGH; G: FKFEKGH; F: FKFEKGH; I: FKFEKGH; H: FKFEKGH; K: FKFEKGH; J: FKFEKGH; L: FKFEKGH
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:07:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:45)

• Minimal score value: -4.0388
• Maximal score value: 0.0165
• Average score: -2.2182
• Total score value: -186.3272

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	F	A	0.0000
2	K	A	-2.2103
3	F	A	-2.2630
4	E	A	-3.9184
5	K	A	-3.9375
6	G	A	-2.9325
7	H	A	-1.9656
1	F	B	-0.4270
2	K	B	-2.1031
3	F	B	-2.2832
4	E	B	-3.8631
5	K	B	-4.0388
6	G	B	-2.9614
7	H	B	-2.2255
1	F	C	-0.2962
2	K	C	-2.2542
3	F	C	-2.0562
4	E	C	-3.3389
5	K	C	-3.9362
6	G	C	-2.9472
7	H	C	-2.0022
1	F	D	-0.1357
2	K	D	-1.5936
3	F	D	-1.4682
4	E	D	-3.5053
5	K	D	-3.5902
6	G	D	-2.5704
7	H	D	-1.9727
1	F	E	-0.2487
2	K	E	-1.6776
3	F	E	-1.7173
4	E	E	-2.9693
5	K	E	-3.4518
6	G	E	-2.5740
7	H	E	-1.7624
1	F	F	0.0000
2	K	F	-1.8964
3	F	F	-1.9963
4	E	F	-3.2268
5	K	F	-3.6011
6	G	F	-2.8416
7	H	F	-1.8392
1	F	G	-0.4509
2	K	G	-1.9851
3	F	G	-1.9630
4	E	G	-3.3829
5	K	G	-3.7420
6	G	G	-2.7406
7	H	G	-1.9059
1	F	H	-0.2582
2	K	H	-1.6584
3	F	H	-1.7081
4	E	H	-3.1595
5	K	H	-3.6726
6	G	H	-2.7948
7	H	H	-2.1596
1	F	I	-0.0260
2	K	I	-1.5882
3	F	I	-1.6775
4	E	I	-2.9887
5	K	I	-3.7114
6	G	I	-2.8526
7	H	I	-1.9851
1	F	J	0.0165
2	K	J	-1.4359
3	F	J	-1.6070
4	E	J	-3.1160
5	K	J	-3.5545
6	G	J	-2.6276
7	H	J	-1.9021
1	F	K	-0.1587
2	K	K	-1.5731
3	F	K	-1.5539
4	E	K	-3.1741
5	K	K	-3.4718
6	G	K	-2.4713
7	H	K	-1.9187
1	F	L	-0.3042
2	K	L	-1.6291
3	F	L	-1.7129
4	E	L	-3.1059
5	K	L	-3.5190
6	G	L	-2.6913
7	H	L	-1.8064