Project name: GHKGHKS4

Chain sequence(s)	A: GHKGHKS; C: GHKGHKS; B: GHKGHKS; D: GHKGHKS
Selected Chain(s)	A,C,B,D
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                                          (00:02:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:01)

• Minimal score value: -5.1346
• Maximal score value: -1.6122
• Average score: -3.4479
• Total score value: -96.541

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	-3.2268
2	H	A	-3.7443
3	K	A	-3.3478
4	G	A	-2.9239
5	H	A	-2.8457
6	K	A	-2.6265
7	S	A	-1.6122
1	G	B	-2.3287
2	H	B	-3.3302
3	K	B	-3.6859
4	G	B	-3.2476
5	H	B	-3.4760
6	K	B	-2.9567
7	S	B	-1.6866
1	G	C	-2.7758
2	H	C	-4.0933
3	K	C	-5.0470
4	G	C	-4.4783
5	H	C	-4.7052
6	K	C	-4.1839
7	S	C	-1.9375
1	G	D	-3.2791
2	H	D	-3.9992
3	K	D	-5.1346
4	G	D	-4.2749
5	H	D	-4.5813
6	K	D	-4.2367
7	S	D	-2.7753