Project name: GGHKGHK20

Chain sequence(s)	A: GGHKGHK; C: GGHKGHK; B: GGHKGHK; E: GGHKGHK; D: GGHKGHK; G: GGHKGHK; F: GGHKGHK; I: GGHKGHK; H: GGHKGHK; K: GGHKGHK; J: GGHKGHK; M: GGHKGHK; L: GGHKGHK; O: GGHKGHK; N: GGHKGHK; Q: GGHKGHK; P: GGHKGHK; S: GGHKGHK; R: GGHKGHK; T: GGHKGHK
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                                          (00:05:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:46)

• Minimal score value: -4.2997
• Maximal score value: 0.0
• Average score: -3.0188
• Total score value: -422.6357

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	-2.6220
2	G	A	-2.9782
3	H	A	-3.1529
4	K	A	-4.1103
5	G	A	-3.3299
6	H	A	-2.9407
7	K	A	-2.5960
1	G	B	-1.4440
2	G	B	-2.5877
3	H	B	-2.7984
4	K	B	-4.0900
5	G	B	-3.8403
6	H	B	-4.1809
7	K	B	-3.2346
1	G	C	-2.5491
2	G	C	-2.7975
3	H	C	-3.1357
4	K	C	-3.9487
5	G	C	-3.2304
6	H	C	-3.4659
7	K	C	-3.6486
1	G	D	-2.3978
2	G	D	-2.4054
3	H	D	-2.5503
4	K	D	-3.4359
5	G	D	-2.9263
6	H	D	-3.7743
7	K	D	-4.2769
1	G	E	-3.0793
2	G	E	-3.1578
3	H	E	-3.2407
4	K	E	-3.6233
5	G	E	-3.0763
6	H	E	-3.3595
7	K	E	-3.0226
1	G	F	-3.3846
2	G	F	-3.4581
3	H	F	-3.8844
4	K	F	-3.6846
5	G	F	-2.9075
6	H	F	-3.1525
7	K	F	-3.3825
1	G	G	-2.8247
2	G	G	-2.7515
3	H	G	-3.4370
4	K	G	-3.4773
5	G	G	-2.9359
6	H	G	-3.2574
7	K	G	-4.1246
1	G	H	-1.4118
2	G	H	-2.4413
3	H	H	-3.3696
4	K	H	-3.6731
5	G	H	-3.4047
6	H	H	-3.0002
7	K	H	-2.4794
1	G	I	-1.8218
2	G	I	-1.9032
3	H	I	-2.4399
4	K	I	-2.9423
5	G	I	-2.6122
6	H	I	-2.8753
7	K	I	-2.4686
1	G	J	-1.5642
2	G	J	-1.8611
3	H	J	-2.5515
4	K	J	-3.2927
5	G	J	-3.3928
6	H	J	-3.2351
7	K	J	-3.6534
1	G	K	-1.3401
2	G	K	-1.8935
3	H	K	-2.5986
4	K	K	-3.2809
5	G	K	-2.4930
6	H	K	-2.5889
7	K	K	-2.4916
1	G	L	-2.6074
2	G	L	-2.9759
3	H	L	-3.7230
4	K	L	-3.9937
5	G	L	-4.2997
6	H	L	-3.5985
7	K	L	-2.8422
1	G	M	-3.4796
2	G	M	0.0000
3	H	M	-3.6223
4	K	M	-4.2729
5	G	M	-3.0715
6	H	M	-3.1645
7	K	M	-2.9968
1	G	N	-1.7096
2	G	N	-2.7889
3	H	N	-2.8406
4	K	N	-4.1023
5	G	N	-3.5558
6	H	N	-3.1575
7	K	N	-4.2411
1	G	O	-1.3595
2	G	O	-2.2007
3	H	O	-2.5961
4	K	O	-3.3057
5	G	O	-2.6496
6	H	O	-2.7941
7	K	O	-2.6504
1	G	P	-1.7715
2	G	P	-2.4178
3	H	P	-2.9166
4	K	P	-3.1784
5	G	P	-2.5454
6	H	P	-2.8083
7	K	P	-2.9485
1	G	Q	-2.3441
2	G	Q	-2.7477
3	H	Q	-3.6118
4	K	Q	-3.8793
5	G	Q	-3.2567
6	H	Q	-2.8734
7	K	Q	-2.7671
1	G	R	-2.7744
2	G	R	-3.1308
3	H	R	-3.3277
4	K	R	-3.3456
5	G	R	-2.8706
6	H	R	-2.7009
7	K	R	-2.6380
1	G	S	-3.7032
2	G	S	-3.8760
3	H	S	-3.5487
4	K	S	-3.7612
5	G	S	-3.2212
6	H	S	-2.6515
7	K	S	-2.7988
1	G	T	-3.1016
2	G	T	-3.1467
3	H	T	-3.4571
4	K	T	-3.7920
5	G	T	-3.5839
6	H	T	-3.0610
7	K	T	-2.7267