Project name: ca6ed20ab449e80

Chain sequence(s)	A: GKGHKGHG; C: GKGHKGHG; B: GKGHKGHG; E: GKGHKGHG; D: GKGHKGHG; G: GKGHKGHG; F: GKGHKGHG; I: GKGHKGHG; H: GKGHKGHG; K: GKGHKGHG; J: GKGHKGHG; M: GKGHKGHG; L: GKGHKGHG; O: GKGHKGHG; N: GKGHKGHG; Q: GKGHKGHG; P: GKGHKGHG; S: GKGHKGHG; R: GKGHKGHG; T: GKGHKGHG
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:12:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:12:30)

• Minimal score value: -3.4158
• Maximal score value: 0.0
• Average score: -1.5479
• Total score value: -247.6673

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	-1.4020
2	K	A	-1.7146
3	G	A	-1.6565
4	H	A	0.0000
5	K	A	-2.3319
6	G	A	0.0000
7	H	A	-1.4598
8	G	A	-1.0865
1	G	B	-1.3776
2	K	B	-1.6735
3	G	B	-1.5810
4	H	B	0.0000
5	K	B	-2.1874
6	G	B	0.0000
7	H	B	-1.3487
8	G	B	-1.1584
1	G	C	-1.3689
2	K	C	-1.7238
3	G	C	-1.6506
4	H	C	0.0000
5	K	C	-2.1821
6	G	C	0.0000
7	H	C	-1.6121
8	G	C	-1.2845
1	G	D	-1.4800
2	K	D	-2.0216
3	G	D	-1.7990
4	H	D	0.0000
5	K	D	-2.3993
6	G	D	0.0000
7	H	D	-1.6841
8	G	D	-1.7010
1	G	E	-1.7958
2	K	E	-2.6208
3	G	E	-2.5548
4	H	E	0.0000
5	K	E	-2.9309
6	G	E	0.0000
7	H	E	-2.1784
8	G	E	-1.7878
1	G	F	-1.8430
2	K	F	-2.8563
3	G	F	-2.7776
4	H	F	-3.0094
5	K	F	-3.1702
6	G	F	-2.5696
7	H	F	-2.2084
8	G	F	-1.5389
1	G	G	-1.4504
2	K	G	-1.9426
3	G	G	-2.1104
4	H	G	-2.5874
5	K	G	-2.7965
6	G	G	0.0000
7	H	G	-2.1451
8	G	G	-1.8721
1	G	H	-1.5838
2	K	H	-1.9411
3	G	H	-2.0160
4	H	H	0.0000
5	K	H	-2.3771
6	G	H	0.0000
7	H	H	-1.6889
8	G	H	-1.4740
1	G	I	-1.4760
2	K	I	-1.6328
3	G	I	-1.6615
4	H	I	0.0000
5	K	I	-1.9955
6	G	I	0.0000
7	H	I	-1.5176
8	G	I	-1.2104
1	G	J	-1.4866
2	K	J	-1.6425
3	G	J	-1.6819
4	H	J	0.0000
5	K	J	-2.3638
6	G	J	0.0000
7	H	J	-1.4526
8	G	J	-1.2040
1	G	K	-1.5083
2	K	K	-1.6968
3	G	K	-1.8128
4	H	K	0.0000
5	K	K	-2.4782
6	G	K	0.0000
7	H	K	-1.7621
8	G	K	-1.2591
1	G	L	-1.5113
2	K	L	-1.7698
3	G	L	-1.7748
4	H	L	0.0000
5	K	L	-2.4927
6	G	L	0.0000
7	H	L	-1.5229
8	G	L	-1.2928
1	G	M	-1.4933
2	K	M	-1.7654
3	G	M	-1.7307
4	H	M	0.0000
5	K	M	-2.4015
6	G	M	0.0000
7	H	M	-1.5254
8	G	M	-1.1867
1	G	N	-1.6600
2	K	N	-2.0419
3	G	N	-2.0796
4	H	N	0.0000
5	K	N	-2.6724
6	G	N	0.0000
7	H	N	-1.8318
8	G	N	-1.5513
1	G	O	-1.5011
2	K	O	-2.2503
3	G	O	-2.1520
4	H	O	-2.8366
5	K	O	-3.3421
6	G	O	-2.9985
7	H	O	-2.5123
8	G	O	-2.0281
1	G	P	-1.7997
2	K	P	-3.0116
3	G	P	-2.7342
4	H	P	-3.2899
5	K	P	-3.4158
6	G	P	-2.7906
7	H	P	-2.1125
8	G	P	-1.5830
1	G	Q	-1.9402
2	K	Q	-2.5401
3	G	Q	-2.6231
4	H	Q	0.0000
5	K	Q	-3.2101
6	G	Q	0.0000
7	H	Q	-2.0616
8	G	Q	-1.5472
1	G	R	-1.6699
2	K	R	-1.9053
3	G	R	-1.8014
4	H	R	0.0000
5	K	R	-2.5580
6	G	R	0.0000
7	H	R	-1.5275
8	G	R	-1.1753
1	G	S	-1.4954
2	K	S	-1.8045
3	G	S	-1.8314
4	H	S	0.0000
5	K	S	-2.8997
6	G	S	0.0000
7	H	S	-1.5779
8	G	S	-1.0559
1	G	T	-1.4320
2	K	T	-1.7207
3	G	T	-1.8452
4	H	T	0.0000
5	K	T	-2.6126
6	G	T	0.0000
7	H	T	-1.5206
8	G	T	-1.0944