Project name: GGKGHFF12

Chain sequence(s)	A: GGKGHFF; C: GGKGHFF; B: GGKGHFF; E: GGKGHFF; D: GGKGHFF; G: GGKGHFF; F: GGKGHFF; I: GGKGHFF; H: GGKGHFF; K: GGKGHFF; J: GGKGHFF; L: GGKGHFF
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:15)

• Minimal score value: -3.7428
• Maximal score value: 2.3222
• Average score: -1.0464
• Total score value: -87.8995

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	-1.7686
2	G	A	-3.0555
3	K	A	-3.0699
4	G	A	-2.2356
5	H	A	-0.7903
6	F	A	1.2549
7	F	A	1.7938
1	G	B	-2.1367
2	G	B	-3.0912
3	K	B	-3.6342
4	G	B	-2.5036
5	H	B	-0.8428
6	F	B	0.7516
7	F	B	0.0000
1	G	C	-2.3733
2	G	C	-2.6523
3	K	C	-3.7428
4	G	C	-2.3699
5	H	C	0.0000
6	F	C	0.7793
7	F	C	0.0000
1	G	D	-1.6101
2	G	D	-2.0133
3	K	D	-2.6489
4	G	D	0.0000
5	H	D	0.0552
6	F	D	1.7345
7	F	D	2.0218
1	G	E	-1.4579
2	G	E	-2.0943
3	K	E	-2.8745
4	G	E	-1.7568
5	H	E	-0.8950
6	F	E	0.8448
7	F	E	1.4611
1	G	F	-1.7679
2	G	F	-2.5349
3	K	F	-2.8820
4	G	F	-1.9557
5	H	F	-1.1968
6	F	F	0.0000
7	F	F	0.0000
1	G	G	-1.5134
2	G	G	-1.8508
3	K	G	-2.8615
4	G	G	-1.4976
5	H	G	0.0000
6	F	G	0.2884
7	F	G	0.0000
1	G	H	-1.1533
2	G	H	-1.8402
3	K	H	-2.4193
4	G	H	-2.2522
5	H	H	-1.7288
6	F	H	0.2959
7	F	H	0.0000
1	G	I	-1.1998
2	G	I	-2.1700
3	K	I	-2.7852
4	G	I	-1.9317
5	H	I	-1.2902
6	F	I	0.2892
7	F	I	1.2752
1	G	J	-1.2603
2	G	J	-1.8548
3	K	J	-2.5950
4	G	J	0.0000
5	H	J	-0.5496
6	F	J	0.9965
7	F	J	1.9985
1	G	K	-1.4330
2	G	K	-2.2083
3	K	K	-2.5873
4	G	K	-1.1722
5	H	K	0.2198
6	F	K	1.4025
7	F	K	0.0000
1	G	L	-1.3474
2	G	L	-1.9235
3	K	L	-2.6829
4	G	L	-1.8766
5	H	L	-0.4459
6	F	L	0.7009
7	F	L	2.3222