Project name: Q11_8

Chain sequence(s)	A: QQKFQFQFEQQ; C: QQKFQFQFEQQ; B: QQKFQFQFEQQ; E: QQKFQFQFEQQ; D: QQKFQFQFEQQ; G: QQKFQFQFEQQ; F: QQKFQFQFEQQ; H: QQKFQFQFEQQ
Selected Chain(s)	A,C,B,E,D,G,F,H
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                                          (00:06:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:22)

• Minimal score value: -3.861
• Maximal score value: 1.3925
• Average score: -1.6873
• Total score value: -148.4846

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	Q	A	-2.8155
2	Q	A	-2.5616
3	K	A	-2.1130
4	F	A	0.0000
5	Q	A	-0.6132
6	F	A	0.0000
7	Q	A	-0.8030
8	F	A	0.0000
9	E	A	-2.3514
10	Q	A	-2.7477
11	Q	A	-2.9600
1	Q	B	-3.2016
2	Q	B	0.0000
3	K	B	-2.5678
4	F	B	0.0000
5	Q	B	-0.7077
6	F	B	0.3473
7	Q	B	-0.3080
8	F	B	-0.5037
9	E	B	-2.2022
10	Q	B	-2.6098
11	Q	B	-2.9700
1	Q	C	-2.8303
2	Q	C	-2.4621
3	K	C	-2.2298
4	F	C	0.6323
5	Q	C	-0.0715
6	F	C	1.3925
7	Q	C	-0.6972
8	F	C	-0.5614
9	E	C	-3.0679
10	Q	C	-2.9581
11	Q	C	-2.8981
1	Q	D	-3.1037
2	Q	D	-3.1285
3	K	D	-3.5000
4	F	D	-1.5623
5	Q	D	-1.8739
6	F	D	-0.5272
7	Q	D	-1.5837
8	F	D	-0.6483
9	E	D	-3.2251
10	Q	D	-2.6187
11	Q	D	-3.2136
1	Q	E	-3.4704
2	Q	E	0.0000
3	K	E	-3.0290
4	F	E	-0.6308
5	Q	E	-1.5841
6	F	E	0.0000
7	Q	E	-2.1528
8	F	E	0.0000
9	E	E	-3.8610
10	Q	E	-3.5780
11	Q	E	-3.5992
1	Q	F	-3.3840
2	Q	F	-3.1990
3	K	F	-3.6842
4	F	F	-1.7985
5	Q	F	-2.0900
6	F	F	-0.6031
7	Q	F	-1.5041
8	F	F	0.0000
9	E	F	-3.1513
10	Q	F	-2.7695
11	Q	F	-3.1445
1	Q	G	-2.7009
2	Q	G	-2.7297
3	K	G	-2.0087
4	F	G	0.2676
5	Q	G	-0.1396
6	F	G	1.0125
7	Q	G	-0.4418
8	F	G	0.2573
9	E	G	-2.2154
10	Q	G	-2.7684
11	Q	G	-2.7591
1	Q	H	-3.1871
2	Q	H	0.0000
3	K	H	-2.3060
4	F	H	0.0000
5	Q	H	-0.5986
6	F	H	0.0000
7	Q	H	-0.5268
8	F	H	0.0000
9	E	H	-2.3990
10	Q	H	-2.6160
11	Q	H	-2.9659