Project name: FGGHKGG20

Chain sequence(s)	A: FGGHKGG; C: FGGHKGG; B: FGGHKGG; E: FGGHKGG; D: FGGHKGG; G: FGGHKGG; F: FGGHKGG; I: FGGHKGG; H: FGGHKGG; K: FGGHKGG; J: FGGHKGG; M: FGGHKGG; L: FGGHKGG; O: FGGHKGG; N: FGGHKGG; Q: FGGHKGG; P: FGGHKGG; S: FGGHKGG; R: FGGHKGG; T: FGGHKGG
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                                          (00:02:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:17)

• Minimal score value: -3.9034
• Maximal score value: 3.6775
• Average score: -1.2047
• Total score value: -168.6612

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	F	A	2.7980
2	G	A	0.0000
3	G	A	-1.1934
4	H	A	-3.2309
5	K	A	-3.4830
6	G	A	-2.7312
7	G	A	-1.7826
1	F	B	2.4803
2	G	B	0.0295
3	G	B	-1.1444
4	H	B	-2.1620
5	K	B	-2.6741
6	G	B	-1.8287
7	G	B	-1.1877
1	F	C	2.9295
2	G	C	0.0000
3	G	C	-0.3309
4	H	C	-2.1201
5	K	C	-2.9137
6	G	C	-2.9093
7	G	C	-2.0538
1	F	D	1.5752
2	G	D	-0.4434
3	G	D	-1.7826
4	H	D	-2.9696
5	K	D	-3.4064
6	G	D	-1.9498
7	G	D	-1.3082
1	F	E	2.7799
2	G	E	0.5251
3	G	E	-1.2872
4	H	E	-2.8783
5	K	E	-3.4143
6	G	E	-2.4068
7	G	E	-1.3356
1	F	F	3.2533
2	G	F	1.0998
3	G	F	-1.0290
4	H	F	-2.8727
5	K	F	-3.6008
6	G	F	-2.5408
7	G	F	-1.6017
1	F	G	3.2074
2	G	G	0.7423
3	G	G	-1.1413
4	H	G	-2.9237
5	K	G	-3.7324
6	G	G	-2.7296
7	G	G	-1.6440
1	F	H	3.4274
2	G	H	1.1978
3	G	H	-0.7955
4	H	H	-2.8220
5	K	H	-3.6025
6	G	H	-2.6652
7	G	H	-1.6963
1	F	I	3.6775
2	G	I	1.7817
3	G	I	-0.7626
4	H	I	-2.5552
5	K	I	-3.5976
6	G	I	-2.7011
7	G	I	-1.9118
1	F	J	3.1083
2	G	J	0.9931
3	G	J	-1.0615
4	H	J	-2.8014
5	K	J	-3.7560
6	G	J	-2.7856
7	G	J	-1.7972
1	F	K	2.6936
2	G	K	0.4037
3	G	K	-1.2127
4	H	K	-2.9790
5	K	K	-3.9034
6	G	K	-2.8736
7	G	K	-1.7278
1	F	L	2.6827
2	G	L	0.2032
3	G	L	-1.4528
4	H	L	-3.1818
5	K	L	-3.5397
6	G	L	-2.3858
7	G	L	-1.6708
1	F	M	2.8381
2	G	M	0.0000
3	G	M	-1.0695
4	H	M	-2.7529
5	K	M	-3.5910
6	G	M	-2.6892
7	G	M	-1.5515
1	F	N	0.0000
2	G	N	-0.1920
3	G	N	-1.7422
4	H	N	-3.2895
5	K	N	-3.6199
6	G	N	-2.4470
7	G	N	-1.5491
1	F	O	2.4096
2	G	O	0.0703
3	G	O	-1.6561
4	H	O	-2.8793
5	K	O	-3.5324
6	G	O	-2.4607
7	G	O	-1.5628
1	F	P	2.8033
2	G	P	0.7473
3	G	P	-1.5104
4	H	P	-3.1037
5	K	P	-3.7347
6	G	P	-2.5483
7	G	P	-1.6710
1	F	Q	3.2074
2	G	Q	1.3591
3	G	Q	-1.2269
4	H	Q	-2.3326
5	K	Q	-3.3739
6	G	Q	-2.5331
7	G	Q	-1.5516
1	F	R	3.2924
2	G	R	0.0000
3	G	R	-0.9265
4	H	R	-2.8673
5	K	R	-3.5919
6	G	R	-2.7457
7	G	R	-1.8791
1	F	S	3.2828
2	G	S	1.2888
3	G	S	-0.7610
4	H	S	-2.5847
5	K	S	-3.4613
6	G	S	-2.7030
7	G	S	-1.5892
1	F	T	1.9960
2	G	T	0.0000
3	G	T	-1.1961
4	H	T	-3.0989
5	K	T	-3.2822
6	G	T	-2.3476
7	G	T	-1.3569