Project name: GHKGHKS12

Chain sequence(s)	A: GHKGHKS; C: GHKGHKS; B: GHKGHKS; E: GHKGHKS; D: GHKGHKS; G: GHKGHKS; F: GHKGHKS; I: GHKGHKS; H: GHKGHKS; K: GHKGHKS; J: GHKGHKS; L: GHKGHKS
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                                          (00:03:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:26)

• Minimal score value: -4.6256
• Maximal score value: -1.328
• Average score: -2.9762
• Total score value: -249.9982

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	-2.1810
2	H	A	-3.3530
3	K	A	-3.7815
4	G	A	-3.0956
5	H	A	-3.8154
6	K	A	-3.0759
7	S	A	-1.5986
1	G	B	-2.5913
2	H	B	-3.3751
3	K	B	-4.4665
4	G	B	-4.6118
5	H	B	-3.9531
6	K	B	-3.8403
7	S	B	-2.2199
1	G	C	-3.6331
2	H	C	-3.4797
3	K	C	-4.6256
4	G	C	-3.4920
5	H	C	-3.4541
6	K	C	-3.0147
7	S	C	-1.6115
1	G	D	-2.8195
2	H	D	-3.1797
3	K	D	-3.5677
4	G	D	-3.5042
5	H	D	-3.6130
6	K	D	-3.0661
7	S	D	-2.0460
1	G	E	-3.0677
2	H	E	-3.5557
3	K	E	-3.9550
4	G	E	-2.9744
5	H	E	-3.0874
6	K	E	-2.7396
7	S	E	-1.3957
1	G	F	-2.3218
2	H	F	-2.3921
3	K	F	-3.0917
4	G	F	-2.5287
5	H	F	-2.5902
6	K	F	-2.6380
7	S	F	-1.3575
1	G	G	-1.8804
2	H	G	-2.9909
3	K	G	-3.5669
4	G	G	-3.5281
5	H	G	-2.8651
6	K	G	-2.8574
7	S	G	-1.6142
1	G	H	-2.9372
2	H	H	-2.9278
3	K	H	-4.0336
4	G	H	-2.5853
5	H	H	-3.4376
6	K	H	-2.8207
7	S	H	-1.6421
1	G	I	-2.9080
2	H	I	-3.0015
3	K	I	-3.3472
4	G	I	-3.6470
5	H	I	-3.1286
6	K	I	-2.7787
7	S	I	-1.5334
1	G	J	-2.5657
2	H	J	-3.1666
3	K	J	-4.1598
4	G	J	-3.0548
5	H	J	-3.0965
6	K	J	-2.6779
7	S	J	-1.3280
1	G	K	-2.4299
2	H	K	-2.9920
3	K	K	-4.2368
4	G	K	-3.7716
5	H	K	-3.4289
6	K	K	-3.1225
7	S	K	-1.6223
1	G	L	-2.3719
2	H	L	-2.8706
3	K	L	-3.3610
4	G	L	-3.1628
5	H	L	-3.4232
6	K	L	-2.6825
7	S	L	-1.6798