Project name: 13bcacdbb05cef

Chain sequence(s)	A: FGGHKGF; C: FGGHKGF; B: FGGHKGF; E: FGGHKGF; D: FGGHKGF; G: FGGHKGF; F: FGGHKGF; I: FGGHKGF; H: FGGHKGF; K: FGGHKGF; J: FGGHKGF; L: FGGHKGF
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                                          (00:03:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:13)

• Minimal score value: -2.4953
• Maximal score value: 4.2917
• Average score: 0.6396
• Total score value: 53.7251

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	2.8780
2	G	A	0.9351
3	G	A	-0.8344
4	H	A	-2.2452
5	K	A	-1.9687
6	G	A	0.4787
7	F	A	2.4187
1	F	B	3.1341
2	G	B	1.0108
3	G	B	-0.7912
4	H	B	-2.0604
5	K	B	-1.8386
6	G	B	0.0000
7	F	B	2.5839
1	F	C	3.9466
2	G	C	1.8199
3	G	C	-0.1191
4	H	C	0.0000
5	K	C	-1.2439
6	G	C	0.0000
7	F	C	1.9628
1	F	D	4.1938
2	G	D	1.9552
3	G	D	0.1091
4	H	D	0.0000
5	K	D	-1.2036
6	G	D	0.0000
7	F	D	1.8330
1	F	E	4.2917
2	G	E	2.0134
3	G	E	0.0879
4	H	E	0.0000
5	K	E	-1.1886
6	G	E	0.0000
7	F	E	1.8677
1	F	F	4.0389
2	G	F	1.7092
3	G	F	-0.4952
4	H	F	0.0000
5	K	F	-1.7141
6	G	F	0.0000
7	F	F	1.7118
1	F	G	3.1039
2	G	G	0.8188
3	G	G	-0.9510
4	H	G	-2.4953
5	K	G	-2.1945
6	G	G	-0.0520
7	F	G	1.8827
1	F	H	2.8140
2	G	H	0.6973
3	G	H	-0.9032
4	H	H	-2.1992
5	K	H	-1.8220
6	G	H	0.7178
7	F	H	2.6291
1	F	I	2.7059
2	G	I	1.0915
3	G	I	-0.3789
4	H	I	0.0000
5	K	I	-1.1411
6	G	I	0.0000
7	F	I	2.9998
1	F	J	2.6762
2	G	J	0.9872
3	G	J	-0.2915
4	H	J	0.0000
5	K	J	-0.9158
6	G	J	0.0000
7	F	J	3.0877
1	F	K	2.9345
2	G	K	1.1204
3	G	K	-0.2067
4	H	K	0.0000
5	K	K	-0.8873
6	G	K	0.0000
7	F	K	3.0968
1	F	L	3.4361
2	G	L	1.3852
3	G	L	-0.5258
4	H	L	0.0000
5	K	L	-1.3103
6	G	L	0.0000
7	F	L	2.5375