Project name: FQKGHQF12

Chain sequence(s)	A: FQKGHQF; C: FQKGHQF; B: FQKGHQF; E: FQKGHQF; D: FQKGHQF; G: FQKGHQF; F: FQKGHQF; I: FQKGHQF; H: FQKGHQF; K: FQKGHQF; J: FQKGHQF; L: FQKGHQF
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                                          (00:01:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:37)

• Minimal score value: -3.2975
• Maximal score value: 2.5517
• Average score: -0.8148
• Total score value: -68.4451

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	1.3637
2	Q	A	-2.2018
3	K	A	-2.4297
4	G	A	-0.5044
5	H	A	-1.1494
6	Q	A	-0.2346
7	F	A	1.7088
1	F	B	1.8588
2	Q	B	-1.0469
3	K	B	-2.6839
4	G	B	0.0000
5	H	B	-1.2034
6	Q	B	-0.5369
7	F	B	2.5517
1	F	C	-0.1034
2	Q	C	-1.7764
3	K	C	-3.2975
4	G	C	-2.1325
5	H	C	0.0000
6	Q	C	-1.0259
7	F	C	2.0856
1	F	D	1.3019
2	Q	D	-1.1031
3	K	D	-2.5142
4	G	D	-2.3616
5	H	D	-1.8743
6	Q	D	-1.0963
7	F	D	1.2112
1	F	E	0.6665
2	Q	E	-1.6948
3	K	E	-2.2748
4	G	E	-1.4270
5	H	E	-0.9529
6	Q	E	-0.3692
7	F	E	1.6335
1	F	F	-0.2558
2	Q	F	-1.6672
3	K	F	-2.1431
4	G	F	-1.2576
5	H	F	-1.5190
6	Q	F	-0.7408
7	F	F	1.0951
1	F	G	0.1446
2	Q	G	-1.5798
3	K	G	-2.3938
4	G	G	-1.6338
5	H	G	-1.4712
6	Q	G	-1.0827
7	F	G	0.8465
1	F	H	0.9727
2	Q	H	-1.2994
3	K	H	-2.4980
4	G	H	-1.7727
5	H	H	-2.0403
6	Q	H	-1.1533
7	F	H	0.9408
1	F	I	-0.7462
2	Q	I	-1.7121
3	K	I	-2.2319
4	G	I	-1.6628
5	H	I	-1.9519
6	Q	I	-1.3453
7	F	I	0.6296
1	F	J	0.6010
2	Q	J	-0.8373
3	K	J	-1.6072
4	G	J	-1.3627
5	H	J	-0.8814
6	Q	J	-0.3966
7	F	J	1.5331
1	F	K	1.2831
2	Q	K	-0.8606
3	K	K	-2.8056
4	G	K	-1.9217
5	H	K	-1.2871
6	Q	K	-0.9123
7	F	K	1.3576
1	F	L	-0.5790
2	Q	L	-2.0814
3	K	L	-3.1713
4	G	L	-1.9229
5	H	L	-1.6511
6	Q	L	-1.1396
7	F	L	1.3405