Project name: d68394beafea6e6

Chain sequence(s)	A: FKFKGHFKF; C: FKFKGHFKF; B: FKFKGHFKF; E: FKFKGHFKF; D: FKFKGHFKF; G: FKFKGHFKF; F: FKFKGHFKF; I: FKFKGHFKF; H: FKFKGHFKF; K: FKFKGHFKF; J: FKFKGHFKF; L: FKFKGHFKF
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:16:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:16:40)

• Minimal score value: -2.6666
• Maximal score value: 1.7511
• Average score: -0.4329
• Total score value: -46.7526

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	1.4883
2	K	A	-0.4796
3	F	A	-0.5667
4	K	A	-1.7727
5	G	A	-1.0909
6	H	A	-1.5588
7	F	A	-0.3847
8	K	A	-0.4537
9	F	A	1.5882
1	F	B	1.6124
2	K	B	-0.4328
3	F	B	-0.0778
4	K	B	-1.7164
5	G	B	-1.1241
6	H	B	-1.7343
7	F	B	-0.3525
8	K	B	-0.6558
9	F	B	1.4471
1	F	C	0.6674
2	K	C	-0.8048
3	F	C	0.0000
4	K	C	-1.9019
5	G	C	0.0000
6	H	C	-1.5295
7	F	C	0.0000
8	K	C	-0.4770
9	F	C	1.3115
1	F	D	0.5288
2	K	D	-1.2729
3	F	D	0.0000
4	K	D	-1.7544
5	G	D	0.0000
6	H	D	-1.3676
7	F	D	0.0000
8	K	D	-0.8720
9	F	D	0.9285
1	F	E	0.7617
2	K	E	-1.1997
3	F	E	0.0000
4	K	E	-1.9451
5	G	E	0.0000
6	H	E	-1.3505
7	F	E	0.0000
8	K	E	-1.0858
9	F	E	0.8022
1	F	F	1.7511
2	K	F	-0.9484
3	F	F	0.0000
4	K	F	-2.4324
5	G	F	0.0000
6	H	F	-1.6318
7	F	F	0.0000
8	K	F	-0.7766
9	F	F	0.9778
1	F	G	1.2163
2	K	G	-1.3251
3	F	G	-1.2954
4	K	G	-2.6666
5	G	G	0.0000
6	H	G	-1.9988
7	F	G	-0.9305
8	K	G	-1.0369
9	F	G	1.3400
1	F	H	1.7249
2	K	H	-0.9555
3	F	H	-0.8315
4	K	H	-2.5659
5	G	H	-1.3065
6	H	H	-1.8585
7	F	H	-0.5747
8	K	H	-0.8670
9	F	H	1.4548
1	F	I	0.5144
2	K	I	-1.1920
3	F	I	0.0000
4	K	I	-2.2983
5	G	I	0.0000
6	H	I	-1.6712
7	F	I	0.0000
8	K	I	-0.7297
9	F	I	0.9126
1	F	J	0.3042
2	K	J	-1.3886
3	F	J	0.0000
4	K	J	-1.9264
5	G	J	0.0000
6	H	J	-1.2352
7	F	J	0.0000
8	K	J	-0.6006
9	F	J	1.1621
1	F	K	0.2170
2	K	K	-1.6288
3	F	K	0.0000
4	K	K	-1.8462
5	G	K	0.0000
6	H	K	-1.1488
7	F	K	0.0000
8	K	K	-0.3106
9	F	K	1.1554
1	F	L	0.6855
2	K	L	-0.7783
3	F	L	0.0000
4	K	L	-1.9285
5	G	L	0.0000
6	H	L	-1.4881
7	F	L	0.0000
8	K	L	-0.4020
9	F	L	1.2326