Project name: 4dba9364894b141

Chain sequence(s)	A: FFGHKGF; C: FFGHKGF; B: FFGHKGF; E: FFGHKGF; D: FFGHKGF; G: FFGHKGF; F: FFGHKGF; I: FFGHKGF; H: FFGHKGF; K: FFGHKGF; J: FFGHKGF; M: FFGHKGF; L: FFGHKGF; O: FFGHKGF; N: FFGHKGF; Q: FFGHKGF; P: FFGHKGF; S: FFGHKGF; R: FFGHKGF; T: FFGHKGF
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]                                                (00:00:09)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:09)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:09)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:09)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:11:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:11:44)

• Minimal score value: -1.9983
• Maximal score value: 3.6281
• Average score: 0.9158
• Total score value: 128.2167

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	1.5260
2	F	A	1.9454
3	G	A	0.0000
4	H	A	0.0000
5	K	A	-0.1624
6	G	A	0.8205
7	F	A	1.7482
1	F	B	1.6090
2	F	B	2.1497
3	G	B	0.0000
4	H	B	0.0000
5	K	B	-0.2256
6	G	B	0.9948
7	F	B	1.8034
1	F	C	1.6823
2	F	C	2.5360
3	G	C	0.0000
4	H	C	0.0000
5	K	C	-0.4705
6	G	C	0.4590
7	F	C	2.0371
1	F	D	2.0487
2	F	D	2.6649
3	G	D	0.0000
4	H	D	0.0000
5	K	D	-0.7741
6	G	D	0.3309
7	F	D	1.9532
1	F	E	3.4948
2	F	E	3.4486
3	G	E	0.6855
4	H	E	-1.0868
5	K	E	-1.9983
6	G	E	-0.5801
7	F	E	1.5786
1	F	F	3.6281
2	F	F	3.5648
3	G	F	0.8483
4	H	F	-0.7947
5	K	F	-1.5873
6	G	F	-0.3437
7	F	F	1.6093
1	F	G	1.4931
2	F	G	2.0535
3	G	G	0.0000
4	H	G	0.0000
5	K	G	-0.4486
6	G	G	0.5661
7	F	G	1.7609
1	F	H	1.9669
2	F	H	2.2023
3	G	H	0.0000
4	H	H	0.0000
5	K	H	-0.5341
6	G	H	0.1996
7	F	H	1.6606
1	F	I	1.9260
2	F	I	2.6834
3	G	I	0.0000
4	H	I	0.0000
5	K	I	-0.8566
6	G	I	-0.0016
7	F	I	1.7474
1	F	J	2.3057
2	F	J	3.0594
3	G	J	0.0000
4	H	J	0.0000
5	K	J	-1.2299
6	G	J	-0.0706
7	F	J	1.5963
1	F	K	3.0625
2	F	K	3.3218
3	G	K	0.9073
4	H	K	-0.3354
5	K	K	-1.3211
6	G	K	-0.0675
7	F	K	2.0591
1	F	L	2.6070
2	F	L	2.5634
3	G	L	0.5449
4	H	L	-0.2447
5	K	L	-1.2082
6	G	L	0.2582
7	F	L	2.3681
1	F	M	1.7139
2	F	M	2.1878
3	G	M	0.0000
4	H	M	0.0000
5	K	M	-0.7509
6	G	M	0.3290
7	F	M	1.8954
1	F	N	1.7407
2	F	N	1.9777
3	G	N	0.0000
4	H	N	0.0000
5	K	N	-0.5104
6	G	N	0.4710
7	F	N	1.9571
1	F	O	1.8995
2	F	O	1.9661
3	G	O	0.0000
4	H	O	0.0000
5	K	O	-0.4452
6	G	O	0.4567
7	F	O	1.8363
1	F	P	1.6378
2	F	P	2.0296
3	G	P	0.0000
4	H	P	0.0000
5	K	P	-0.5645
6	G	P	0.4052
7	F	P	1.9949
1	F	Q	1.9672
2	F	Q	2.4660
3	G	Q	0.0000
4	H	Q	0.0000
5	K	Q	-0.4645
6	G	Q	0.5574
7	F	Q	2.1926
1	F	R	2.6083
2	F	R	2.9402
3	G	R	1.2049
4	H	R	0.0000
5	K	R	-0.4734
6	G	R	0.5931
7	F	R	2.7478
1	F	S	3.1209
2	F	S	3.3359
3	G	S	1.0439
4	H	S	0.0246
5	K	S	-0.8697
6	G	S	0.2863
7	F	S	2.7104
1	F	T	2.5853
2	F	T	2.9595
3	G	T	0.5655
4	H	T	-0.4306
5	K	T	-1.2854
6	G	T	-0.0990
7	F	T	1.9630