Project name: SGHKGHK12

Chain sequence(s)	A: SGHKGHK; C: SGHKGHK; B: SGHKGHK; E: SGHKGHK; D: SGHKGHK; G: SGHKGHK; F: SGHKGHK; I: SGHKGHK; H: SGHKGHK; K: SGHKGHK; J: SGHKGHK; L: SGHKGHK
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                                          (00:01:50)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:52)

• Minimal score value: -4.6279
• Maximal score value: -0.9093
• Average score: -2.8282
• Total score value: -237.57

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	S	A	-1.0416
2	G	A	-1.9878
3	H	A	-3.2749
4	K	A	-4.2844
5	G	A	-3.5523
6	H	A	-3.8621
7	K	A	-3.0579
1	S	B	-2.1181
2	G	B	-2.9371
3	H	B	-3.5243
4	K	B	-4.6279
5	G	B	-4.0650
6	H	B	-3.3634
7	K	B	-2.6168
1	S	C	-1.9987
2	G	C	-2.4471
3	H	C	-2.9315
4	K	C	-3.5175
5	G	C	-2.7632
6	H	C	-2.6697
7	K	C	-2.6138
1	S	D	-1.2181
2	G	D	-2.4257
3	H	D	-2.8484
4	K	D	-4.0054
5	G	D	-2.9173
6	H	D	-2.7892
7	K	D	-2.8934
1	S	E	-1.6261
2	G	E	-2.5036
3	H	E	-2.9679
4	K	E	-3.5379
5	G	E	-3.1621
6	H	E	-3.6586
7	K	E	-3.0430
1	S	F	-0.9093
2	G	F	-1.6163
3	H	F	-2.7588
4	K	F	-3.8729
5	G	F	-3.1950
6	H	F	-3.1733
7	K	F	-2.7074
1	S	G	-3.2830
2	G	G	-2.9149
3	H	G	-3.0500
4	K	G	-3.6312
5	G	G	-3.2798
6	H	G	-2.8577
7	K	G	-3.1427
1	S	H	-1.9093
2	G	H	-2.3088
3	H	H	-2.6204
4	K	H	-3.4577
5	G	H	-3.2368
6	H	H	-2.9960
7	K	H	-3.0006
1	S	I	-1.4527
2	G	I	-2.1948
3	H	I	-2.6316
4	K	I	-3.2015
5	G	I	-2.5700
6	H	I	-2.5096
7	K	I	-2.5306
1	S	J	-0.9356
2	G	J	-1.8466
3	H	J	-2.4106
4	K	J	-3.1053
5	G	J	-2.7364
6	H	J	-2.5455
7	K	J	-2.5584
1	S	K	-0.9992
2	G	K	-2.2302
3	H	K	-2.7815
4	K	K	-3.3035
5	G	K	-2.4978
6	H	K	-2.5326
7	K	K	-2.6879
1	S	L	-3.7358
2	G	L	-3.0403
3	H	L	-3.6423
4	K	L	-4.1743
5	G	L	-3.7958
6	H	L	-3.3166
7	K	L	-2.8293