Project name: 99787b36659a6c5

Chain sequence(s)	A: SKGHKGH; C: SKGHKGH; B: SKGHKGH; E: SKGHKGH; D: SKGHKGH; G: SKGHKGH; F: SKGHKGH; I: SKGHKGH; H: SKGHKGH; K: SKGHKGH; J: SKGHKGH; L: SKGHKGH
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                                          (00:04:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:07)

• Minimal score value: -3.1948
• Maximal score value: 0.0
• Average score: -1.5406
• Total score value: -129.4093

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	S	A	-1.7148
2	K	A	-2.8978
3	G	A	-2.6412
4	H	A	-2.6526
5	K	A	-2.8725
6	G	A	-1.7158
7	H	A	-1.8467
1	S	B	-1.4894
2	K	B	-2.3134
3	G	B	0.0000
4	H	B	-2.3603
5	K	B	0.0000
6	G	B	-1.6974
7	H	B	-2.0721
1	S	C	-0.9944
2	K	C	-1.6759
3	G	C	0.0000
4	H	C	-1.3759
5	K	C	0.0000
6	G	C	-1.3194
7	H	C	-1.8788
1	S	D	-0.9906
2	K	D	-1.6669
3	G	D	0.0000
4	H	D	-1.2166
5	K	D	0.0000
6	G	D	-1.2206
7	H	D	-1.8285
1	S	E	-1.3999
2	K	E	-2.3386
3	G	E	0.0000
4	H	E	-1.8148
5	K	E	0.0000
6	G	E	-1.6209
7	H	E	-2.0653
1	S	F	-1.5296
2	K	F	-2.8023
3	G	F	0.0000
4	H	F	-2.6245
5	K	F	-2.5994
6	G	F	-1.8216
7	H	F	-1.8553
1	S	G	-1.7049
2	K	G	-2.8620
3	G	G	-2.6531
4	H	G	-2.8030
5	K	G	-3.1948
6	G	G	-2.2567
7	H	G	-2.0287
1	S	H	-1.5364
2	K	H	-2.4247
3	G	H	0.0000
4	H	H	-2.4084
5	K	H	-2.5007
6	G	H	-1.9470
7	H	H	-2.1838
1	S	I	-1.2045
2	K	I	-1.9356
3	G	I	0.0000
4	H	I	-1.3761
5	K	I	-1.6011
6	G	I	-1.2813
7	H	I	-1.7061
1	S	J	-1.1491
2	K	J	-1.8203
3	G	J	0.0000
4	H	J	-1.2576
5	K	J	0.0000
6	G	J	-1.0178
7	H	J	-1.5898
1	S	K	-1.5388
2	K	K	-2.2661
3	G	K	0.0000
4	H	K	-1.7680
5	K	K	0.0000
6	G	K	-1.2380
7	H	K	-1.5827
1	S	L	-1.5420
2	K	L	-2.8813
3	G	L	0.0000
4	H	L	-2.3836
5	K	L	-2.1182
6	G	L	-1.2199
7	H	L	-1.5134