Project name: ee9fb72d6c9effb

Chain sequence(s)	A: GNNQQNY; C: GNNQQNY; B: GNNQQNY; E: GNNQQNY; D: GNNQQNY; G: GNNQQNY; F: GNNQQNY; I: GNNQQNY; H: GNNQQNY; K: GNNQQNY; J: GNNQQNY; L: GNNQQNY
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                                          (00:00:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:40)

• Minimal score value: -2.5234
• Maximal score value: 2.1659
• Average score: -0.566
• Total score value: -47.5419

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	-1.4106
2	N	A	-1.5940
3	N	A	-1.5793
4	Q	A	0.0000
5	Q	A	-0.1686
6	N	A	0.0000
7	Y	A	1.6762
1	G	B	-1.4842
2	N	B	-2.0073
3	N	B	-2.2242
4	Q	B	0.0000
5	Q	B	-0.8134
6	N	B	0.0000
7	Y	B	1.4372
1	G	C	-1.7546
2	N	C	-2.4829
3	N	C	-2.5234
4	Q	C	-1.8505
5	Q	C	-0.9170
6	N	C	-0.0781
7	Y	C	1.4789
1	G	D	-1.5535
2	N	D	-1.8974
3	N	D	-1.7871
4	Q	D	0.0000
5	Q	D	-0.2633
6	N	D	0.0000
7	Y	D	1.7747
1	G	E	-1.2697
2	N	E	-1.3179
3	N	E	-1.1176
4	Q	E	0.0000
5	Q	E	0.1052
6	N	E	0.0000
7	Y	E	2.0773
1	G	F	-1.2576
2	N	F	-1.2333
3	N	F	-1.0442
4	Q	F	0.0000
5	Q	F	0.1525
6	N	F	0.0000
7	Y	F	2.1659
1	G	G	-1.3662
2	N	G	-1.5311
3	N	G	-1.3014
4	Q	G	0.0000
5	Q	G	-0.2023
6	N	G	0.0000
7	Y	G	1.8687
1	G	H	-1.2260
2	N	H	-1.8147
3	N	H	-1.6517
4	Q	H	-1.4986
5	Q	H	-0.9514
6	N	H	-0.5397
7	Y	H	1.3394
1	G	I	-1.4928
2	N	I	-2.4293
3	N	I	-2.0223
4	Q	I	-1.8525
5	Q	I	-1.1583
6	N	I	-0.9329
7	Y	I	1.0567
1	G	J	-1.6742
2	N	J	-1.8114
3	N	J	-1.5787
4	Q	J	0.0000
5	Q	J	-0.5120
6	N	J	0.0000
7	Y	J	1.7374
1	G	K	-1.3051
2	N	K	-1.2861
3	N	K	-1.0388
4	Q	K	0.0000
5	Q	K	0.1019
6	N	K	0.0000
7	Y	K	1.7949
1	G	L	-1.1719
2	N	L	-1.2399
3	N	L	-1.1077
4	Q	L	0.0000
5	Q	L	0.0510
6	N	L	0.0000
7	Y	L	1.9669