Project name: 36f9e175f8af598

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]                                                (00:00:01)
[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                                          (00:03:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:16)

• Minimal score value: -2.3174
• Maximal score value: 2.8119
• Average score: -0.25
• Total score value: -21.0023

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	-0.3827
2	S	A	0.0618
3	K	A	0.1771
4	G	A	0.0000
5	H	A	-0.5310
6	F	A	0.0000
7	F	A	-0.6239
1	G	B	-0.9236
2	S	B	0.0000
3	K	B	-1.9043
4	G	B	0.0000
5	H	B	-0.4083
6	F	B	0.0000
7	F	B	2.0841
1	G	C	-0.9947
2	S	C	-1.2116
3	K	C	-2.2439
4	G	C	-1.9335
5	H	C	-1.0374
6	F	C	0.7955
7	F	C	2.3105
1	G	D	-0.2260
2	S	D	-0.3662
3	K	D	-1.9587
4	G	D	-1.4556
5	H	D	-1.0702
6	F	D	-0.1534
7	F	D	1.1768
1	G	E	-0.4259
2	S	E	-0.2761
3	K	E	-0.4612
4	G	E	0.0000
5	H	E	-0.8194
6	F	E	0.0000
7	F	E	-0.5363
1	G	F	-0.4484
2	S	F	0.0000
3	K	F	-0.9524
4	G	F	0.0000
5	H	F	-0.6110
6	F	F	0.0000
7	F	F	0.6149
1	G	G	-0.4583
2	S	G	0.0000
3	K	G	-0.1861
4	G	G	0.0000
5	H	G	-0.4992
6	F	G	0.0000
7	F	G	-0.4155
1	G	H	-0.3480
2	S	H	0.0000
3	K	H	-1.2852
4	G	H	0.0000
5	H	H	-0.4300
6	F	H	0.0000
7	F	H	1.9875
1	G	I	-0.3743
2	S	I	-0.4679
3	K	I	-1.8171
4	G	I	-1.7765
5	H	I	-0.9462
6	F	I	0.6332
7	F	I	2.1410
1	G	J	-0.5430
2	S	J	-0.8294
3	K	J	-2.3174
4	G	J	-1.5969
5	H	J	-0.1427
6	F	J	1.8292
7	F	J	2.8119
1	G	K	-0.8910
2	S	K	0.0000
3	K	K	-1.8897
4	G	K	0.0000
5	H	K	-0.0156
6	F	K	0.0000
7	F	K	2.3780
1	G	L	-0.8293
2	S	L	0.0000
3	K	L	-1.5501
4	G	L	0.0000
5	H	L	-0.3199
6	F	L	0.0000
7	F	L	1.8812