Project name: Acidic peptide_8

Chain sequence(s)	A: EDEDEDEDEDED; C: EDEDEDEDEDED; B: EDEDEDEDEDED; E: EDEDEDEDEDED; D: EDEDEDEDEDED; G: EDEDEDEDEDED; F: EDEDEDEDEDED; H: EDEDEDEDEDED
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]                                                (00:00:00)
[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                                          (00:02:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:35)

• Minimal score value: -8.1064
• Maximal score value: -3.185
• Average score: -5.4923
• Total score value: -527.2625

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	E	A	-7.6098
2	D	A	-8.1064
3	E	A	-7.7495
4	D	A	-7.3984
5	E	A	-5.3010
6	D	A	-5.0245
7	E	A	-4.7463
8	D	A	-5.1330
9	E	A	-4.8317
10	D	A	-5.4211
11	E	A	-4.2578
12	D	A	-3.5755
1	E	B	-5.4144
2	D	B	-7.3379
3	E	B	-7.7101
4	D	B	-7.1786
5	E	B	-6.9500
6	D	B	-6.0743
7	E	B	-5.7070
8	D	B	-4.9811
9	E	B	-5.0118
10	D	B	-4.7696
11	E	B	-4.3137
12	D	B	-3.3958
1	E	C	-3.4719
2	D	C	-4.2616
3	E	C	-4.8106
4	D	C	-4.9265
5	E	C	-4.8802
6	D	C	-5.2657
7	E	C	-5.4769
8	D	C	-6.3216
9	E	C	-6.3635
10	D	C	-5.1721
11	E	C	-4.4819
12	D	C	-5.6782
1	E	D	-4.7040
2	D	D	-5.5997
3	E	D	-7.3706
4	D	D	-6.6058
5	E	D	-7.0302
6	D	D	-6.1304
7	E	D	-6.9412
8	D	D	-5.7267
9	E	D	-6.3677
10	D	D	-5.5804
11	E	D	-5.0851
12	D	D	-3.7215
1	E	E	-4.9941
2	D	E	-7.0681
3	E	E	-6.2285
4	D	E	-7.0087
5	E	E	-5.7885
6	D	E	-6.3111
7	E	E	-5.4641
8	D	E	-6.6414
9	E	E	-5.4105
10	D	E	-5.7013
11	E	E	-4.3986
12	D	E	-3.6198
1	E	F	-5.3169
2	D	F	-5.7962
3	E	F	-6.2435
4	D	F	-5.9439
5	E	F	-6.3176
6	D	F	-5.6941
7	E	F	-5.7788
8	D	F	-5.2178
9	E	F	-5.7569
10	D	F	-4.5907
11	E	F	-4.4191
12	D	F	-3.1850
1	E	G	-5.9570
2	D	G	-6.3408
3	E	G	-5.9333
4	D	G	-5.7272
5	E	G	-5.3752
6	D	G	-5.7443
7	E	G	-5.6292
8	D	G	-6.4731
9	E	G	-6.3780
10	D	G	-5.9759
11	E	G	-4.9224
12	D	G	-4.8755
1	E	H	-3.5384
2	D	H	-4.3692
3	E	H	-4.8990
4	D	H	-5.0427
5	E	H	-5.0111
6	D	H	-4.9555
7	E	H	-4.9916
8	D	H	-4.9420
9	E	H	-4.9742
10	D	H	-4.7490
11	E	H	-4.2118
12	D	H	-3.3776