Project name: FYGHKYF12

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                                          (00:04:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:18)

• Minimal score value: -1.6692
• Maximal score value: 3.9002
• Average score: 1.386
• Total score value: 116.428

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	2.6981
2	Y	A	2.3975
3	G	A	1.3803
4	H	A	0.5824
5	K	A	1.1142
6	Y	A	2.2412
7	F	A	3.1117
1	F	B	3.1273
2	Y	B	1.5121
3	G	B	-0.0141
4	H	B	-0.3448
5	K	B	-0.3208
6	Y	B	2.0307
7	F	B	3.2006
1	F	C	3.4692
2	Y	C	1.8620
3	G	C	0.5880
4	H	C	-0.1253
5	K	C	0.3063
6	Y	C	2.6698
7	F	C	3.5380
1	F	D	2.9470
2	Y	D	2.1233
3	G	D	0.7712
4	H	D	0.0943
5	K	D	-0.7377
6	Y	D	1.4536
7	F	D	2.9827
1	F	E	2.5801
2	Y	E	1.9087
3	G	E	0.6543
4	H	E	0.5911
5	K	E	-0.1536
6	Y	E	1.5770
7	F	E	2.2811
1	F	F	2.8338
2	Y	F	2.0445
3	G	F	1.2183
4	H	F	0.0902
5	K	F	0.3384
6	Y	F	1.1409
7	F	F	1.9291
1	F	G	2.6624
2	Y	G	2.9102
3	G	G	0.0000
4	H	G	1.5154
5	K	G	0.4487
6	Y	G	2.4063
7	F	G	2.8120
1	F	H	3.8349
2	Y	H	2.9362
3	G	H	0.6156
4	H	H	0.1274
5	K	H	-1.0323
6	Y	H	1.1317
7	F	H	1.8209
1	F	I	3.9002
2	Y	I	2.9582
3	G	I	0.9844
4	H	I	-0.2517
5	K	I	-0.5800
6	Y	I	1.2004
7	F	I	1.8142
1	F	J	2.6687
2	Y	J	1.9050
3	G	J	0.1725
4	H	J	0.0397
5	K	J	1.0626
6	Y	J	1.9856
7	F	J	2.7137
1	F	K	2.9326
2	Y	K	1.5714
3	G	K	-0.3696
4	H	K	-1.5914
5	K	K	-1.6692
6	Y	K	1.0303
7	F	K	2.2073
1	F	L	3.2926
2	Y	L	1.7811
3	G	L	0.1290
4	H	L	-1.4496
5	K	L	-1.3800
6	Y	L	1.0876
7	F	L	2.4003