Project name: GSKGHFF20

Chain sequence(s)	A: GSKGHFF; C: GSKGHFF; B: GSKGHFF; E: GSKGHFF; D: GSKGHFF; G: GSKGHFF; F: GSKGHFF; I: GSKGHFF; H: GSKGHFF; K: GSKGHFF; J: GSKGHFF; M: GSKGHFF; L: GSKGHFF; O: GSKGHFF; N: GSKGHFF; Q: GSKGHFF; P: GSKGHFF; S: GSKGHFF; R: GSKGHFF; T: GSKGHFF
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                                          (00:09:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:09:51)

• Minimal score value: -2.8239
• Maximal score value: 3.5181
• Average score: -0.2971
• Total score value: -41.6009

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	-1.2241
2	S	A	-1.4984
3	K	A	-2.1437
4	G	A	0.0000
5	H	A	0.3191
6	F	A	2.5476
7	F	A	0.0000
1	G	B	-1.0551
2	S	B	-1.0486
3	K	B	-1.1850
4	G	B	0.0715
5	H	B	1.4154
6	F	B	2.3053
7	F	B	2.5863
1	G	C	-1.2775
2	S	C	-1.4357
3	K	C	-1.9249
4	G	C	-0.0471
5	H	C	1.5836
6	F	C	2.7954
7	F	C	3.4872
1	G	D	-1.7728
2	S	D	-2.2572
3	K	D	-1.7664
4	G	D	0.0000
5	H	D	1.0938
6	F	D	3.1930
7	F	D	3.3042
1	G	E	-2.0170
2	S	E	-1.8719
3	K	E	-0.3571
4	G	E	0.0000
5	H	E	0.0000
6	F	E	3.0451
7	F	E	3.5181
1	G	F	-1.5134
2	S	F	-1.3493
3	K	F	-1.2654
4	G	F	0.5512
5	H	F	1.2457
6	F	F	2.5395
7	F	F	2.3599
1	G	G	-1.8558
2	S	G	-1.4648
3	K	G	-1.1459
4	G	G	0.0000
5	H	G	1.0802
6	F	G	1.8469
7	F	G	2.8559
1	G	H	-1.2943
2	S	H	-1.8894
3	K	H	-2.3725
4	G	H	-1.4928
5	H	H	-0.5201
6	F	H	1.0580
7	F	H	1.6991
1	G	I	-1.3165
2	S	I	-2.0566
3	K	I	-2.8205
4	G	I	0.0000
5	H	I	-0.7566
6	F	I	0.9955
7	F	I	1.9122
1	G	J	-1.2459
2	S	J	-1.6894
3	K	J	-2.4607
4	G	J	-1.3383
5	H	J	-0.6755
6	F	J	1.0126
7	F	J	2.3457
1	G	K	-0.9787
2	S	K	-1.2253
3	K	K	-2.3170
4	G	K	-1.0448
5	H	K	-0.4862
6	F	K	0.0000
7	F	K	2.4608
1	G	L	-1.3112
2	S	L	-2.0827
3	K	L	-2.8239
4	G	L	0.0000
5	H	L	-0.6635
6	F	L	0.0000
7	F	L	2.2856
1	G	M	-1.1476
2	S	M	-1.3187
3	K	M	-2.2096
4	G	M	-0.9915
5	H	M	-0.8311
6	F	M	0.0000
7	F	M	1.2994
1	G	N	-1.1584
2	S	N	-1.5097
3	K	N	-2.4373
4	G	N	-1.4790
5	H	N	-0.8833
6	F	N	0.3389
7	F	N	1.1184
1	G	O	-1.0328
2	S	O	-1.2954
3	K	O	-2.0854
4	G	O	0.0000
5	H	O	-0.9477
6	F	O	0.0000
7	F	O	1.7863
1	G	P	-1.0842
2	S	P	-1.6561
3	K	P	-2.3547
4	G	P	-1.8218
5	H	P	-0.8966
6	F	P	0.6417
7	F	P	1.1831
1	G	Q	-1.3749
2	S	Q	-1.7886
3	K	Q	-2.5935
4	G	Q	-1.4246
5	H	Q	-0.5742
6	F	Q	1.1150
7	F	Q	1.5130
1	G	R	-1.4181
2	S	R	-1.4573
3	K	R	-2.2082
4	G	R	0.0000
5	H	R	0.2646
6	F	R	2.7289
7	F	R	2.4401
1	G	S	-1.4123
2	S	S	-1.6923
3	K	S	-2.6434
4	G	S	-1.1014
5	H	S	-0.5818
6	F	S	2.1886
7	F	S	0.0000
1	G	T	-1.3739
2	S	T	-1.6623
3	K	T	-2.3642
4	G	T	-0.8956
5	H	T	-0.0306
6	F	T	2.3646
7	F	T	1.9797