Project name: ef19fce17d06d61

Chain sequence(s)	A: FGKGHGF; C: FGKGHGF; B: FGKGHGF; E: FGKGHGF; D: FGKGHGF; G: FGKGHGF; F: FGKGHGF; I: FGKGHGF; H: FGKGHGF; K: FGKGHGF; J: FGKGHGF; M: FGKGHGF; L: FGKGHGF; O: FGKGHGF; N: FGKGHGF; Q: FGKGHGF; P: FGKGHGF; S: FGKGHGF; R: FGKGHGF; T: FGKGHGF
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                                          (00:05:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:13)

• Minimal score value: -2.5836
• Maximal score value: 3.6642
• Average score: 0.3857
• Total score value: 53.9918

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	0.1118
2	G	A	0.0000
3	K	A	0.0000
4	G	A	0.0000
5	H	A	0.0000
6	G	A	2.6224
7	F	A	3.2946
1	F	B	0.0000
2	G	B	0.0000
3	K	B	0.0000
4	G	B	0.0000
5	H	B	1.0633
6	G	B	2.3252
7	F	B	3.6456
1	F	C	0.0000
2	G	C	0.0000
3	K	C	0.0000
4	G	C	0.0000
5	H	C	0.0000
6	G	C	0.0000
7	F	C	3.2961
1	F	D	0.0296
2	G	D	-1.4320
3	K	D	0.0000
4	G	D	0.0000
5	H	D	0.0000
6	G	D	2.3413
7	F	D	2.8475
1	F	E	1.8797
2	G	E	0.0097
3	K	E	-2.0268
4	G	E	-1.9619
5	H	E	-1.2071
6	G	E	1.1793
7	F	E	2.7969
1	F	F	2.0088
2	G	F	0.0000
3	K	F	-2.0980
4	G	F	-2.1128
5	H	F	-0.7891
6	G	F	0.0000
7	F	F	3.2869
1	F	G	2.1980
2	G	G	0.0000
3	K	G	-1.6220
4	G	G	0.0000
5	H	G	-0.2208
6	G	G	0.0000
7	F	G	3.5443
1	F	H	1.7656
2	G	H	0.0000
3	K	H	-1.4297
4	G	H	0.0000
5	H	H	0.0076
6	G	H	0.0000
7	F	H	3.4402
1	F	I	2.3734
2	G	I	0.0000
3	K	I	-2.1469
4	G	I	0.0000
5	H	I	-0.1403
6	G	I	1.9518
7	F	I	3.5157
1	F	J	1.9079
2	G	J	-0.3004
3	K	J	-1.9738
4	G	J	-1.6339
5	H	J	-0.7622
6	G	J	1.2161
7	F	J	2.7787
1	F	K	1.7020
2	G	K	0.0000
3	K	K	-2.5135
4	G	K	-1.2934
5	H	K	0.4155
6	G	K	0.0000
7	F	K	3.0510
1	F	L	2.4963
2	G	L	0.6309
3	K	L	-1.6534
4	G	L	-1.7040
5	H	L	-1.0417
6	G	L	0.0000
7	F	L	3.1131
1	F	M	2.1228
2	G	M	0.0000
3	K	M	-1.5387
4	G	M	0.0000
5	H	M	-0.4675
6	G	M	0.0000
7	F	M	3.2603
1	F	N	0.0000
2	G	N	0.0000
3	K	N	0.0000
4	G	N	0.0000
5	H	N	0.0000
6	G	N	1.9084
7	F	N	2.5489
1	F	O	1.6239
2	G	O	0.0000
3	K	O	-2.1832
4	G	O	0.0000
5	H	O	-0.4423
6	G	O	0.0000
7	F	O	3.6642
1	F	P	1.4821
2	G	P	0.0000
3	K	P	-2.4904
4	G	P	0.0000
5	H	P	-0.5857
6	G	P	0.0000
7	F	P	3.4540
1	F	Q	1.2278
2	G	Q	0.0000
3	K	Q	-2.5836
4	G	Q	0.0000
5	H	Q	-0.7024
6	G	Q	0.0000
7	F	Q	3.1804
1	F	R	1.0501
2	G	R	0.0000
3	K	R	-2.3740
4	G	R	-1.8139
5	H	R	-0.6399
6	G	R	1.1573
7	F	R	2.2357
1	F	S	0.8685
2	G	S	-1.0705
3	K	S	-1.8499
4	G	S	-1.4277
5	H	S	-0.7779
6	G	S	0.8601
7	F	S	2.1759
1	F	T	0.1193
2	G	T	0.0000
3	K	T	-1.5031
4	G	T	0.0000
5	H	T	0.2103
6	G	T	1.7710
7	F	T	2.7384