Project name: GSGHKFF20

Chain sequence(s)	A: GSGHKFF; C: GSGHKFF; B: GSGHKFF; E: GSGHKFF; D: GSGHKFF; G: GSGHKFF; F: GSGHKFF; I: GSGHKFF; H: GSGHKFF; K: GSGHKFF; J: GSGHKFF; M: GSGHKFF; L: GSGHKFF; O: GSGHKFF; N: GSGHKFF; Q: GSGHKFF; P: GSGHKFF; S: GSGHKFF; R: GSGHKFF; T: GSGHKFF
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                                          (00:14:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:14:05)

• Minimal score value: -2.5619
• Maximal score value: 3.9713
• Average score: -0.4022
• Total score value: -56.3069

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	-0.8479
2	S	A	-1.2253
3	G	A	-1.3408
4	H	A	-1.1181
5	K	A	-0.0454
6	F	A	2.0609
7	F	A	2.0358
1	G	B	-0.9984
2	S	B	-1.1633
3	G	B	-1.3362
4	H	B	-0.8725
5	K	B	0.3050
6	F	B	2.1821
7	F	B	2.5530
1	G	C	-0.8322
2	S	C	-1.1020
3	G	C	-1.3587
4	H	C	-1.5490
5	K	C	-0.3433
6	F	C	1.0392
7	F	C	2.2699
1	G	D	-0.8123
2	S	D	-1.1690
3	G	D	-1.1990
4	H	D	-1.0409
5	K	D	-0.9262
6	F	D	1.5270
7	F	D	2.3510
1	G	E	-0.9072
2	S	E	-1.2201
3	G	E	-1.1689
4	H	E	-1.2451
5	K	E	0.0000
6	F	E	1.1037
7	F	E	1.5087
1	G	F	-0.9485
2	S	F	-1.2299
3	G	F	-1.3141
4	H	F	-1.7959
5	K	F	-1.5825
6	F	F	-0.0580
7	F	F	0.0000
1	G	G	-1.0058
2	S	G	-1.3147
3	G	G	-1.6756
4	H	G	-1.8938
5	K	G	-1.0139
6	F	G	0.3233
7	F	G	1.6116
1	G	H	-0.8424
2	S	H	-1.1155
3	G	H	-1.8941
4	H	H	-2.3997
5	K	H	-2.3224
6	F	H	-0.2625
7	F	H	1.1725
1	G	I	-1.0131
2	S	I	-1.1533
3	G	I	-1.6476
4	H	I	-1.6636
5	K	I	-1.5487
6	F	I	0.0000
7	F	I	1.3319
1	G	J	-1.0670
2	S	J	-1.0958
3	G	J	-1.4751
4	H	J	-1.1174
5	K	J	0.2204
6	F	J	2.7405
7	F	J	3.8757
1	G	K	-0.8852
2	S	K	-1.1471
3	G	K	-1.2694
4	H	K	-1.0694
5	K	K	-0.6036
6	F	K	1.8957
7	F	K	3.9713
1	G	L	-1.2939
2	S	L	-1.1972
3	G	L	0.0000
4	H	L	-1.2931
5	K	L	-0.4851
6	F	L	0.0000
7	F	L	3.1793
1	G	M	-1.4305
2	S	M	-1.3090
3	G	M	-1.5277
4	H	M	-1.0333
5	K	M	-0.2324
6	F	M	2.0408
7	F	M	3.2006
1	G	N	-1.0210
2	S	N	-1.3489
3	G	N	-1.7245
4	H	N	-1.2189
5	K	N	0.1844
6	F	N	0.0000
7	F	N	3.9627
1	G	O	-0.8090
2	S	O	-1.2103
3	G	O	-1.5590
4	H	O	-1.8606
5	K	O	-1.2482
6	F	O	1.9056
7	F	O	3.6479
1	G	P	-0.8245
2	S	P	-0.8531
3	G	P	-1.6439
4	H	P	-1.3612
5	K	P	-0.4524
6	F	P	1.5713
7	F	P	3.8889
1	G	Q	-0.7807
2	S	Q	-1.1824
3	G	Q	-1.5661
4	H	Q	-1.9048
5	K	Q	-1.8076
6	F	Q	0.6559
7	F	Q	2.0237
1	G	R	-0.8392
2	S	R	-1.1522
3	G	R	-1.9034
4	H	R	-2.1685
5	K	R	-2.2541
6	F	R	0.3396
7	F	R	1.7041
1	G	S	-0.8244
2	S	S	-1.4584
3	G	S	-1.8532
4	H	S	-2.4384
5	K	S	-2.1536
6	F	S	0.4713
7	F	S	1.7204
1	G	T	-0.8514
2	S	T	-1.1769
3	G	T	-2.0190
4	H	T	-2.5619
5	K	T	-2.4178
6	F	T	-0.2909
7	F	T	0.9074