Project name: GGGHKGF20

Chain sequence(s)	A: GGGHKGF; C: GGGHKGF; B: GGGHKGF; E: GGGHKGF; D: GGGHKGF; G: GGGHKGF; F: GGGHKGF; I: GGGHKGF; H: GGGHKGF; K: GGGHKGF; J: GGGHKGF; M: GGGHKGF; L: GGGHKGF; O: GGGHKGF; N: GGGHKGF; Q: GGGHKGF; P: GGGHKGF; S: GGGHKGF; R: GGGHKGF; T: GGGHKGF
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                                          (00:04:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:30)

• Minimal score value: -3.4566
• Maximal score value: 1.9279
• Average score: -1.4987
• Total score value: -209.8164

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	-1.2577
2	G	A	-1.5475
3	G	A	-2.3521
4	H	A	-2.4683
5	K	A	-2.0470
6	G	A	-0.3022
7	F	A	1.6473
1	G	B	-1.8592
2	G	B	-2.1233
3	G	B	-2.9703
4	H	B	-2.8785
5	K	B	-2.9661
6	G	B	0.0000
7	F	B	1.9279
1	G	C	-1.6672
2	G	C	-2.1649
3	G	C	0.0000
4	H	C	-3.0307
5	K	C	-2.7940
6	G	C	-0.5744
7	F	C	1.7879
1	G	D	-1.7584
2	G	D	0.0000
3	G	D	-2.6504
4	H	D	-2.8421
5	K	D	-2.5173
6	G	D	-0.3039
7	F	D	1.7843
1	G	E	-1.6454
2	G	E	-2.0545
3	G	E	0.0000
4	H	E	-2.7614
5	K	E	-1.8292
6	G	E	-0.8963
7	F	E	1.4869
1	G	F	-1.7554
2	G	F	-2.1993
3	G	F	-2.7589
4	H	F	-3.2082
5	K	F	-2.4859
6	G	F	-0.5808
7	F	F	1.4887
1	G	G	-1.7850
2	G	G	-2.2032
3	G	G	-2.7681
4	H	G	-3.1753
5	K	G	-2.3805
6	G	G	-0.7147
7	F	G	1.8440
1	G	H	-1.8412
2	G	H	-2.1765
3	G	H	-2.6875
4	H	H	-3.0276
5	K	H	-2.2575
6	G	H	-0.9391
7	F	H	1.6958
1	G	I	-1.7032
2	G	I	-2.1335
3	G	I	-2.7476
4	H	I	-2.8571
5	K	I	-2.6981
6	G	I	-0.7254
7	F	I	1.4193
1	G	J	-1.6700
2	G	J	-2.1504
3	G	J	-2.7431
4	H	J	-3.1399
5	K	J	-2.5883
6	G	J	-0.8396
7	F	J	1.6595
1	G	K	-1.6395
2	G	K	-2.2288
3	G	K	-2.6795
4	H	K	-3.1462
5	K	K	-2.6029
6	G	K	-0.8781
7	F	K	1.5219
1	G	L	-1.7750
2	G	L	-2.2073
3	G	L	-2.9090
4	H	L	-2.8601
5	K	L	-2.0128
6	G	L	-0.3597
7	F	L	1.7626
1	G	M	-1.6890
2	G	M	-2.0520
3	G	M	-2.6811
4	H	M	-2.9409
5	K	M	-2.7977
6	G	M	-0.9066
7	F	M	1.5755
1	G	N	-1.6478
2	G	N	-1.9853
3	G	N	-2.5988
4	H	N	-2.8078
5	K	N	-2.6535
6	G	N	-0.9835
7	F	N	1.5339
1	G	O	-1.6475
2	G	O	-1.7588
3	G	O	-2.5274
4	H	O	-2.4367
5	K	O	-2.1159
6	G	O	-0.8990
7	F	O	1.5528
1	G	P	-1.5821
2	G	P	-1.9591
3	G	P	-2.3921
4	H	P	-2.8887
5	K	P	-2.4896
6	G	P	-0.9372
7	F	P	1.4028
1	G	Q	-1.5297
2	G	Q	0.0000
3	G	Q	-2.6428
4	H	Q	-3.2796
5	K	Q	-2.3511
6	G	Q	-0.8528
7	F	Q	1.5934
1	G	R	0.0000
2	G	R	-2.1825
3	G	R	-3.1185
4	H	R	-3.3155
5	K	R	-2.4500
6	G	R	-0.9740
7	F	R	1.5523
1	G	S	-1.8272
2	G	S	-2.1899
3	G	S	-3.2512
4	H	S	-3.4566
5	K	S	-2.9732
6	G	S	-1.3129
7	F	S	1.1859
1	G	T	-1.4021
2	G	T	-1.6383
3	G	T	-2.6550
4	H	T	-2.7104
5	K	T	-2.4979
6	G	T	-0.9302
7	F	T	1.1825