Project name: dd43d22ce10f3ac

Chain sequence(s)	A: FYGHKYF; C: FYGHKYF; B: FYGHKYF; E: FYGHKYF; D: FYGHKYF; G: FYGHKYF; F: FYGHKYF; I: FYGHKYF; H: FYGHKYF; K: FYGHKYF; J: FYGHKYF; L: FYGHKYF
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                                          (00:01:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:32)

• Minimal score value: -1.2674
• Maximal score value: 4.0712
• Average score: 1.3009
• Total score value: 109.2764

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	3.9715
2	Y	A	0.0000
3	G	A	0.8260
4	H	A	0.0000
5	K	A	-0.2441
6	Y	A	1.6498
7	F	A	3.3364
1	F	B	4.0095
2	Y	B	0.0000
3	G	B	0.7916
4	H	B	0.0000
5	K	B	-0.3668
6	Y	B	1.6461
7	F	B	3.4824
1	F	C	3.9561
2	Y	C	2.4917
3	G	C	0.8463
4	H	C	0.0000
5	K	C	-0.2846
6	Y	C	0.0000
7	F	C	3.3587
1	F	D	3.9075
2	Y	D	0.0000
3	G	D	0.0000
4	H	D	0.0000
5	K	D	-0.2449
6	Y	D	1.4793
7	F	D	3.3624
1	F	E	3.6246
2	Y	E	2.0780
3	G	E	0.5011
4	H	E	0.0000
5	K	E	-0.4828
6	Y	E	1.1575
7	F	E	2.8135
1	F	F	2.9036
2	Y	F	1.4929
3	G	F	-0.0713
4	H	F	-1.1922
5	K	F	-1.2674
6	Y	F	0.7172
7	F	F	2.3808
1	F	G	2.9538
2	Y	G	1.6214
3	G	G	-0.0092
4	H	G	-1.1288
5	K	G	-1.0993
6	Y	G	1.1127
7	F	G	2.4781
1	F	H	3.6007
2	Y	H	2.3546
3	G	H	0.0000
4	H	H	0.0000
5	K	H	-0.3744
6	Y	H	1.4813
7	F	H	3.2919
1	F	I	4.0034
2	Y	I	2.6333
3	G	I	0.8583
4	H	I	0.0000
5	K	I	-0.3470
6	Y	I	1.6364
7	F	I	3.5049
1	F	J	4.0712
2	Y	J	0.0000
3	G	J	0.8250
4	H	J	0.0000
5	K	J	-0.4706
6	Y	J	1.4803
7	F	J	3.3673
1	F	K	3.5119
2	Y	K	2.7153
3	G	K	0.6244
4	H	K	-0.9844
5	K	K	-1.0183
6	Y	K	1.3981
7	F	K	2.8610
1	F	L	3.4888
2	Y	L	2.6738
3	G	L	0.5593
4	H	L	-1.0074
5	K	L	-0.8212
6	Y	L	1.7293
7	F	L	3.0701