Project name: GHKGHKS20

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; M: GHKGHKS; L: GHKGHKS; O: GHKGHKS; N: GHKGHKS; Q: GHKGHKS; P: GHKGHKS; S: GHKGHKS; R: GHKGHKS; T: GHKGHKS
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]                                                (00:00:00)
[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                                          (00:07:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:35)

• Minimal score value: -4.0125
• Maximal score value: 0.0
• Average score: -2.5575
• Total score value: -358.0487

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	-2.4637
2	H	A	-3.5522
3	K	A	-3.2493
4	G	A	0.0000
5	H	A	-3.0789
6	K	A	-3.1366
7	S	A	-1.7706
1	G	B	-2.7364
2	H	B	-3.2698
3	K	B	-3.3576
4	G	B	-2.9632
5	H	B	-2.7348
6	K	B	-2.9392
7	S	B	-1.3370
1	G	C	-2.1195
2	H	C	-3.1539
3	K	C	-3.3761
4	G	C	-2.7462
5	H	C	-3.4015
6	K	C	-3.2043
7	S	C	-1.9750
1	G	D	-2.3595
2	H	D	-2.7498
3	K	D	-3.4617
4	G	D	-2.8796
5	H	D	-2.8360
6	K	D	-2.7424
7	S	D	-1.4282
1	G	E	-2.1917
2	H	E	-2.9121
3	K	E	-3.6545
4	G	E	-3.2414
5	H	E	-2.6097
6	K	E	-3.1069
7	S	E	-1.5832
1	G	F	-2.3091
2	H	F	-2.8959
3	K	F	-3.0218
4	G	F	-2.6968
5	H	F	-2.3965
6	K	F	-2.7461
7	S	F	-1.3993
1	G	G	-1.5668
2	H	G	-2.3188
3	K	G	-2.9443
4	G	G	-2.5307
5	H	G	-2.5972
6	K	G	-2.6370
7	S	G	-1.2843
1	G	H	-1.5929
2	H	H	-2.2927
3	K	H	-3.1760
4	G	H	-2.3630
5	H	H	-2.4403
6	K	H	-2.5608
7	S	H	-1.1507
1	G	I	-1.9542
2	H	I	-2.7298
3	K	I	-2.9941
4	G	I	-2.5709
5	H	I	-2.5556
6	K	I	-2.5687
7	S	I	-1.3523
1	G	J	-1.9555
2	H	J	-2.5782
3	K	J	-2.8135
4	G	J	-2.2944
5	H	J	-2.3800
6	K	J	-2.6764
7	S	J	-1.7886
1	G	K	-2.4737
2	H	K	-3.0694
3	K	K	-4.0125
4	G	K	-3.1693
5	H	K	-2.9006
6	K	K	-2.9423
7	S	K	-1.4744
1	G	L	-1.7806
2	H	L	-2.5005
3	K	L	-3.8406
4	G	L	-2.9025
5	H	L	-2.5072
6	K	L	-2.4987
7	S	L	-1.0606
1	G	M	-2.0832
2	H	M	-3.2159
3	K	M	-3.5595
4	G	M	-2.8007
5	H	M	-2.5972
6	K	M	-2.6090
7	S	M	-1.2947
1	G	N	-2.8557
2	H	N	-3.7984
3	K	N	-3.7883
4	G	N	-3.8336
5	H	N	-3.4348
6	K	N	-3.0408
7	S	N	-1.7522
1	G	O	-1.9288
2	H	O	-2.4368
3	K	O	-2.9347
4	G	O	-2.4828
5	H	O	-2.5769
6	K	O	-2.5905
7	S	O	-1.3270
1	G	P	-2.7051
2	H	P	-3.7099
3	K	P	-3.5111
4	G	P	-2.5580
5	H	P	-3.1172
6	K	P	-2.7568
7	S	P	-1.2775
1	G	Q	-2.1961
2	H	Q	-2.6782
3	K	Q	-2.8172
4	G	Q	-2.3360
5	H	Q	-2.5495
6	K	Q	-2.4136
7	S	Q	-1.1973
1	G	R	-2.7022
2	H	R	-2.4865
3	K	R	-2.6563
4	G	R	-2.4342
5	H	R	-2.6811
6	K	R	-2.9590
7	S	R	-1.5827
1	G	S	-2.2998
2	H	S	-2.6363
3	K	S	-2.9783
4	G	S	-2.4034
5	H	S	-2.4335
6	K	S	-2.5801
7	S	S	-1.2402
1	G	T	-1.8767
2	H	T	-2.3805
3	K	T	-3.0121
4	G	T	-2.6857
5	H	T	-2.9377
6	K	T	-2.9728
7	S	T	-1.7560