Project name: GSKGHFF12

Chain sequence(s)	A: GSKGHFF; C: GSKGHFF; B: GSKGHFF; E: GSKGHFF; D: GSKGHFF; G: GSKGHFF; F: GSKGHFF; I: GSKGHFF; H: GSKGHFF; K: GSKGHFF; J: GSKGHFF; L: GSKGHFF
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                                          (00:05:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:55)

• Minimal score value: -2.8459
• Maximal score value: 3.4469
• Average score: -0.3589
• Total score value: -30.146

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	-1.2469
2	S	A	-1.5884
3	K	A	-2.5760
4	G	A	-1.8407
5	H	A	-1.8101
6	F	A	0.0000
7	F	A	1.5462
1	G	B	-1.8755
2	S	B	-2.4514
3	K	B	-2.7459
4	G	B	-1.4846
5	H	B	-0.3855
6	F	B	2.5519
7	F	B	3.1293
1	G	C	-1.6325
2	S	C	-1.7248
3	K	C	-2.8459
4	G	C	0.0000
5	H	C	-0.1122
6	F	C	1.3097
7	F	C	0.5346
1	G	D	-1.0172
2	S	D	-1.2505
3	K	D	-1.8512
4	G	D	-0.4086
5	H	D	0.3363
6	F	D	2.1368
7	F	D	0.0000
1	G	E	-1.1238
2	S	E	-1.6805
3	K	E	-2.2564
4	G	E	0.0000
5	H	E	0.0260
6	F	E	2.2121
7	F	E	1.8717
1	G	F	-0.9734
2	S	F	-1.1314
3	K	F	-1.5790
4	G	F	-0.4259
5	H	F	-0.2125
6	F	F	2.0518
7	F	F	2.3970
1	G	G	-0.8758
2	S	G	-1.4387
3	K	G	-1.6689
4	G	G	-0.8308
5	H	G	-0.2303
6	F	G	1.4842
7	F	G	1.7176
1	G	H	-1.0862
2	S	H	-1.6941
3	K	H	-2.5004
4	G	H	-1.1720
5	H	H	-0.2781
6	F	H	1.6117
7	F	H	2.1614
1	G	I	-1.1167
2	S	I	-1.4662
3	K	I	-2.3085
4	G	I	-1.2450
5	H	I	-0.1521
6	F	I	0.0000
7	F	I	3.3098
1	G	J	-1.0740
2	S	J	-1.3589
3	K	J	-1.9528
4	G	J	0.0000
5	H	J	0.3604
6	F	J	2.4791
7	F	J	1.7506
1	G	K	-1.3198
2	S	K	-1.4102
3	K	K	-2.0335
4	G	K	-1.1099
5	H	K	-0.8814
6	F	K	1.6006
7	F	K	1.5366
1	G	L	-1.4094
2	S	L	-1.9644
3	K	L	-2.4081
4	G	L	-1.2026
5	H	L	0.1011
6	F	L	2.6102
7	F	L	3.4469