Project name: GSGHKFF12

Chain sequence(s)	A: GSGHKFF; C: GSGHKFF; B: GSGHKFF; E: GSGHKFF; D: GSGHKFF; G: GSGHKFF; F: GSGHKFF; I: GSGHKFF; H: GSGHKFF; K: GSGHKFF; J: GSGHKFF; L: GSGHKFF
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.                                          (00:07:46)

• Minimal score value: -1.643
• Maximal score value: 3.5154
• Average score: 0.0201
• Total score value: 1.6926

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	G	A	-0.8275
2	S	A	-1.1874
3	G	A	-0.4641
4	H	A	-0.2667
5	K	A	0.8960
6	F	A	2.7397
7	F	A	3.0916
1	G	B	-1.1410
2	S	B	-1.2263
3	G	B	-0.6273
4	H	B	-0.6364
5	K	B	0.2434
6	F	B	0.0000
7	F	B	2.0654
1	G	C	-0.8788
2	S	C	-1.0062
3	G	C	-1.3250
4	H	C	-1.6430
5	K	C	-0.1744
6	F	C	1.4724
7	F	C	0.0000
1	G	D	-0.7599
2	S	D	-0.9291
3	G	D	-0.8852
4	H	D	-0.6595
5	K	D	0.3385
6	F	D	2.7373
7	F	D	1.8215
1	G	E	-0.6876
2	S	E	-0.9564
3	G	E	-0.7963
4	H	E	-0.3503
5	K	E	0.6570
6	F	E	0.0000
7	F	E	3.5154
1	G	F	-0.8216
2	S	F	-1.0378
3	G	F	-1.2618
4	H	F	-1.1544
5	K	F	-0.3298
6	F	F	1.6031
7	F	F	2.3420
1	G	G	-0.8584
2	S	G	-1.2115
3	G	G	-0.8901
4	H	G	-1.3558
5	K	G	-1.0716
6	F	G	0.2750
7	F	G	1.6097
1	G	H	-1.0404
2	S	H	-1.3721
3	G	H	-1.5029
4	H	H	-1.5129
5	K	H	-0.8970
6	F	H	1.0978
7	F	H	2.4893
1	G	I	-0.7188
2	S	I	-0.9796
3	G	I	-0.8582
4	H	I	-0.2668
5	K	I	0.8655
6	F	I	2.3763
7	F	I	3.1488
1	G	J	-0.8030
2	S	J	-1.1648
3	G	J	-0.2095
4	H	J	0.1526
5	K	J	1.6238
6	F	J	2.5878
7	F	J	3.1099
1	G	K	-0.7458
2	S	K	-0.9391
3	G	K	-1.2191
4	H	K	-0.7012
5	K	K	0.0888
6	F	K	1.4880
7	F	K	3.0430
1	G	L	-0.8276
2	S	L	-1.1956
3	G	L	-1.6228
4	H	L	-1.5193
5	K	L	-1.2609
6	F	L	0.8139
7	F	L	2.1777