Project name: GGHKGHK12

Chain sequence(s)	A: GGHKGHK; C: GGHKGHK; B: GGHKGHK; E: GGHKGHK; D: GGHKGHK; G: GGHKGHK; F: GGHKGHK; I: GGHKGHK; H: GGHKGHK; K: GGHKGHK; J: GGHKGHK; L: GGHKGHK
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:05)

• Minimal score value: -4.3798
• Maximal score value: 0.0
• Average score: -3.0253
• Total score value: -254.1241

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	-2.0471
2	G	A	-2.2902
3	H	A	-2.7989
4	K	A	-3.4208
5	G	A	-3.2690
6	H	A	-3.5665
7	K	A	-3.0244
1	G	B	0.0000
2	G	B	0.0000
3	H	B	-3.3277
4	K	B	-4.1875
5	G	B	-3.0775
6	H	B	-2.6850
7	K	B	-2.5528
1	G	C	-3.7278
2	G	C	-3.1115
3	H	C	-3.6117
4	K	C	-3.8224
5	G	C	-3.0946
6	H	C	-3.1029
7	K	C	-3.3048
1	G	D	-2.7787
2	G	D	-2.7859
3	H	D	-3.4999
4	K	D	-3.8544
5	G	D	-3.5110
6	H	D	-3.4304
7	K	D	-2.9786
1	G	E	-2.9998
2	G	E	-2.8352
3	H	E	-3.1953
4	K	E	-3.4603
5	G	E	-2.9786
6	H	E	-2.9694
7	K	E	-2.7564
1	G	F	-2.3858
2	G	F	-2.8496
3	H	F	-2.8592
4	K	F	-4.0106
5	G	F	-3.1961
6	H	F	-3.3072
7	K	F	-3.0533
1	G	G	-2.5792
2	G	G	-2.2864
3	H	G	-2.6439
4	K	G	-3.4943
5	G	G	-3.0273
6	H	G	-3.0059
7	K	G	-3.1068
1	G	H	-2.6487
2	G	H	-2.4581
3	H	H	-2.5817
4	K	H	-3.2995
5	G	H	-2.7645
6	H	H	-3.0352
7	K	H	-3.0577
1	G	I	-1.8125
2	G	I	-2.4573
3	H	I	-2.4627
4	K	I	-3.1688
5	G	I	-2.7642
6	H	I	-3.0918
7	K	I	-2.8662
1	G	J	-3.6071
2	G	J	-3.4403
3	H	J	-3.2466
4	K	J	-3.6360
5	G	J	-3.1377
6	H	J	-3.0671
7	K	J	-2.6868
1	G	K	-2.0054
2	G	K	-3.0593
3	H	K	-3.5074
4	K	K	-4.3798
5	G	K	-3.7207
6	H	K	-3.2821
7	K	K	-2.9123
1	G	L	-2.6601
2	G	L	-3.7756
3	H	L	-3.9924
4	K	L	-4.1226
5	G	L	-3.3938
6	H	L	-3.3790
7	K	L	-2.7805