Project name: b734aeb230981da

Chain sequence(s)	A: KGHKGHK; C: KGHKGHK; B: KGHKGHK; E: KGHKGHK; D: KGHKGHK; G: KGHKGHK; F: KGHKGHK; I: KGHKGHK; H: KGHKGHK; K: KGHKGHK; J: KGHKGHK; L: KGHKGHK
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                                          (00:13:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:13:06)

• Minimal score value: -3.8072
• Maximal score value: 0.0
• Average score: -2.2213
• Total score value: -186.5925

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	K	A	-3.8072
2	G	A	-2.7632
3	H	A	-2.4089
4	K	A	-2.4026
5	G	A	0.0000
6	H	A	0.0000
7	K	A	-3.2376
1	K	B	-3.1974
2	G	B	-2.4993
3	H	B	-2.6064
4	K	B	-3.0895
5	G	B	-2.8227
6	H	B	-2.5406
7	K	B	-2.8948
1	K	C	-3.2074
2	G	C	-2.5624
3	H	C	-2.6539
4	K	C	-3.0517
5	G	C	-2.6127
6	H	C	-3.1169
7	K	C	-3.2850
1	K	D	-3.4109
2	G	D	-2.7452
3	H	D	-2.5135
4	K	D	-2.7833
5	G	D	0.0000
6	H	D	-3.2258
7	K	D	-3.3429
1	K	E	-3.4245
2	G	E	-2.4065
3	H	E	-1.9151
4	K	E	-2.1702
5	G	E	0.0000
6	H	E	0.0000
7	K	E	-3.1661
1	K	F	-3.2245
2	G	F	-2.3467
3	H	F	-1.8328
4	K	F	-2.1049
5	G	F	0.0000
6	H	F	0.0000
7	K	F	-3.1330
1	K	G	-3.4113
2	G	G	-2.3414
3	H	G	-1.8369
4	K	G	-2.2086
5	G	G	0.0000
6	H	G	0.0000
7	K	G	-3.1941
1	K	H	-3.4747
2	G	H	-2.6106
3	H	H	-2.2035
4	K	H	-2.5920
5	G	H	0.0000
6	H	H	0.0000
7	K	H	-3.3682
1	K	I	-3.0762
2	G	I	-2.3517
3	H	I	-2.3383
4	K	I	-2.5713
5	G	I	-2.3504
6	H	I	-2.4157
7	K	I	-3.0093
1	K	J	-3.0539
2	G	J	-2.4576
3	H	J	-1.9667
4	K	J	-2.3141
5	G	J	0.0000
6	H	J	-2.2074
7	K	J	-2.8026
1	K	K	-3.7511
2	G	K	-2.8049
3	H	K	-2.0603
4	K	K	-2.2815
5	G	K	0.0000
6	H	K	0.0000
7	K	K	-3.0875
1	K	L	-3.7938
2	G	L	-2.6783
3	H	L	-2.0775
4	K	L	-2.1595
5	G	L	0.0000
6	H	L	0.0000
7	K	L	-3.2355