Project name: GGKGHFF20

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; M: GGKGHFF; L: GGKGHFF; O: GGKGHFF; N: GGKGHFF; Q: GGKGHFF; P: GGKGHFF; S: GGKGHFF; R: GGKGHFF; T: GGKGHFF
Selected Chain(s)	A,C,B,E,D,G,F,I,H,K,J,M,L,O,N,Q,P,S,R,T
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                                          (00:05:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:52)

• Minimal score value: -3.3829
• Maximal score value: 2.5649
• Average score: -0.6729
• Total score value: -94.2063

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	-1.0697
2	G	A	-1.3473
3	K	A	-0.9610
4	G	A	-0.4956
5	H	A	0.0000
6	F	A	1.3264
7	F	A	1.7448
1	G	B	-1.1717
2	G	B	-1.3235
3	K	B	-0.7594
4	G	B	-0.2604
5	H	B	0.4388
6	F	B	1.5442
7	F	B	2.2678
1	G	C	-1.9345
2	G	C	-2.9507
3	K	C	-2.5799
4	G	C	0.0000
5	H	C	0.0000
6	F	C	2.5649
7	F	C	0.0000
1	G	D	-1.8148
2	G	D	-2.6456
3	K	D	-3.1557
4	G	D	0.0000
5	H	D	-0.3176
6	F	D	1.8327
7	F	D	2.4979
1	G	E	-1.4705
2	G	E	-2.4069
3	K	E	-3.1332
4	G	E	-1.6634
5	H	E	-0.8908
6	F	E	1.2903
7	F	E	2.3468
1	G	F	-1.6367
2	G	F	-2.4142
3	K	F	-2.4982
4	G	F	0.0000
5	H	F	-0.2245
6	F	F	1.6715
7	F	F	2.5419
1	G	G	-1.4742
2	G	G	-2.2996
3	K	G	-2.4038
4	G	G	-1.0883
5	H	G	-0.4278
6	F	G	1.5179
7	F	G	2.4538
1	G	H	-1.5852
2	G	H	-2.2990
3	K	H	-2.6523
4	G	H	-1.2013
5	H	H	-0.3863
6	F	H	1.4736
7	F	H	2.0356
1	G	I	-1.4074
2	G	I	-2.0987
3	K	I	-2.6765
4	G	I	-1.2713
5	H	I	-0.3624
6	F	I	1.3556
7	F	I	2.2122
1	G	J	-1.5806
2	G	J	-2.7119
3	K	J	-2.8820
4	G	J	-1.5697
5	H	J	-0.5729
6	F	J	1.7632
7	F	J	2.0639
1	G	K	-1.9756
2	G	K	-2.8601
3	K	K	-3.3746
4	G	K	-1.8203
5	H	K	-0.5935
6	F	K	1.1546
7	F	K	1.9413
1	G	L	-1.7331
2	G	L	-2.4412
3	K	L	-2.9179
4	G	L	-1.9001
5	H	L	-0.9867
6	F	L	0.0000
7	F	L	1.6484
1	G	M	-1.2192
2	G	M	-1.7453
3	K	M	-2.0268
4	G	M	-0.5495
5	H	M	0.1735
6	F	M	2.3687
7	F	M	2.1504
1	G	N	-1.3019
2	G	N	-1.9772
3	K	N	-2.3646
4	G	N	-1.1242
5	H	N	0.1524
6	F	N	2.2928
7	F	N	0.0000
1	G	O	-1.5138
2	G	O	-2.5768
3	K	O	-2.3911
4	G	O	-1.0180
5	H	O	0.1407
6	F	O	1.7264
7	F	O	1.7789
1	G	P	-1.8143
2	G	P	-2.6106
3	K	P	-2.8034
4	G	P	0.0000
5	H	P	-0.5011
6	F	P	0.6960
7	F	P	0.7127
1	G	Q	-1.3415
2	G	Q	-1.9899
3	K	Q	-2.6606
4	G	Q	-0.8149
5	H	Q	-0.5343
6	F	Q	0.6544
7	F	Q	0.0000
1	G	R	-1.2130
2	G	R	-2.1887
3	K	R	-2.4883
4	G	R	-1.3850
5	H	R	-0.4218
6	F	R	1.9617
7	F	R	1.6171
1	G	S	-2.0595
2	G	S	-3.0347
3	K	S	-3.3829
4	G	S	-1.7157
5	H	S	-0.8343
6	F	S	1.2066
7	F	S	1.4263
1	G	T	-1.9232
2	G	T	-2.4981
3	K	T	-2.9660
4	G	T	-2.2211
5	H	T	-1.1780
6	F	T	0.5729
7	F	T	1.5435