Project name: fec8a6cf57e19e9

Chain sequence(s)	A: KGHKGHK; C: KGHKGHK; B: KGHKGHK; E: KGHKGHK; D: KGHKGHK; G: KGHKGHK; F: KGHKGHK; I: KGHKGHK; H: KGHKGHK; K: KGHKGHK; J: KGHKGHK; M: KGHKGHK; L: KGHKGHK; O: KGHKGHK; N: KGHKGHK; Q: KGHKGHK; P: KGHKGHK; S: KGHKGHK; R: KGHKGHK; T: KGHKGHK
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                                          (00:21:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:21:47)

• Minimal score value: -3.8017
• Maximal score value: 0.0
• Average score: -2.0741
• Total score value: -290.3738

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	K	A	-3.6124
2	G	A	-2.3165
3	H	A	-2.0232
4	K	A	-1.9515
5	G	A	0.0000
6	H	A	0.0000
7	K	A	-3.2133
1	K	B	-3.6911
2	G	B	-2.7317
3	H	B	-2.4225
4	K	B	-2.6565
5	G	B	0.0000
6	H	B	0.0000
7	K	B	-2.8598
1	K	C	-3.1820
2	G	C	-2.6484
3	H	C	-2.9443
4	K	C	-3.4921
5	G	C	-2.8853
6	H	C	-2.9016
7	K	C	-3.0425
1	K	D	-3.1389
2	G	D	-2.5530
3	H	D	-3.0079
4	K	D	-3.3420
5	G	D	-2.7453
6	H	D	-2.9571
7	K	D	-3.2320
1	K	E	-3.3670
2	G	E	-2.6856
3	H	E	-2.4765
4	K	E	-2.7038
5	G	E	0.0000
6	H	E	0.0000
7	K	E	-3.2103
1	K	F	-3.3866
2	G	F	-2.2815
3	H	F	-1.8257
4	K	F	-1.9602
5	G	F	0.0000
6	H	F	0.0000
7	K	F	-2.9614
1	K	G	-3.1877
2	G	G	-2.2522
3	H	G	-1.7473
4	K	G	-1.8458
5	G	G	0.0000
6	H	G	0.0000
7	K	G	-3.1006
1	K	H	-3.1952
2	G	H	-2.2829
3	H	H	-1.7645
4	K	H	-1.9177
5	G	H	0.0000
6	H	H	0.0000
7	K	H	-3.0995
1	K	I	-3.2048
2	G	I	-2.3046
3	H	I	-1.7677
4	K	I	-1.8426
5	G	I	0.0000
6	H	I	0.0000
7	K	I	-3.1027
1	K	J	-3.2174
2	G	J	-2.3110
3	H	J	-1.7723
4	K	J	-1.8512
5	G	J	0.0000
6	H	J	0.0000
7	K	J	-3.1307
1	K	K	-3.4242
2	G	K	-2.4243
3	H	K	-1.9071
4	K	K	-2.0757
5	G	K	0.0000
6	H	K	0.0000
7	K	K	-3.3043
1	K	L	-3.4658
2	G	L	-2.6442
3	H	L	-2.1911
4	K	L	-2.6135
5	G	L	0.0000
6	H	L	0.0000
7	K	L	-3.1219
1	K	M	-3.0660
2	G	M	-2.2991
3	H	M	-2.1297
4	K	M	-2.6055
5	G	M	-2.4898
6	H	M	-2.4085
7	K	M	-2.9289
1	K	N	-3.2158
2	G	N	-2.5192
3	H	N	-2.7030
4	K	N	-3.2890
5	G	N	-2.6201
6	H	N	-2.5745
7	K	N	-3.0806
1	K	O	-3.8017
2	G	O	-2.7840
3	H	O	-2.4600
4	K	O	-2.9241
5	G	O	0.0000
6	H	O	0.0000
7	K	O	-3.4469
1	K	P	-3.6755
2	G	P	-2.4379
3	H	P	-1.8800
4	K	P	-2.3086
5	G	P	0.0000
6	H	P	0.0000
7	K	P	-3.2746
1	K	Q	-3.6266
2	G	Q	-2.3233
3	H	Q	-1.8006
4	K	Q	-2.0928
5	G	Q	0.0000
6	H	Q	0.0000
7	K	Q	-3.2155
1	K	R	-3.6326
2	G	R	-2.2692
3	H	R	-1.6854
4	K	R	-1.8096
5	G	R	0.0000
6	H	R	0.0000
7	K	R	-2.8493
1	K	S	-3.6582
2	G	S	-2.2819
3	H	S	-1.7421
4	K	S	-1.8859
5	G	S	0.0000
6	H	S	0.0000
7	K	S	-3.1474
1	K	T	-3.6592
2	G	T	-2.3172
3	H	T	-1.7884
4	K	T	-2.0036
5	G	T	0.0000
6	H	T	0.0000
7	K	T	-3.1820