Project name: 6b3b6355059a18

Chain sequence(s)	A: GGGHKGF; C: GGGHKGF; B: GGGHKGF; E: GGGHKGF; D: GGGHKGF; G: GGGHKGF; F: GGGHKGF; I: GGGHKGF; H: GGGHKGF; K: GGGHKGF; J: GGGHKGF; M: GGGHKGF; L: GGGHKGF; O: GGGHKGF; N: GGGHKGF; Q: GGGHKGF; P: GGGHKGF; S: GGGHKGF; R: GGGHKGF; T: GGGHKGF
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                                          (00:07:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:15)

• Minimal score value: -2.7315
• Maximal score value: 2.4491
• Average score: -0.667
• Total score value: -93.3801

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	-0.9359
2	G	A	-1.2212
3	G	A	-1.7204
4	H	A	0.0000
5	K	A	-1.6804
6	G	A	0.0000
7	F	A	2.1500
1	G	B	0.8772
2	G	B	0.0000
3	G	B	-1.3265
4	H	B	-1.5880
5	K	B	-1.8684
6	G	B	-0.2608
7	F	B	0.9871
1	G	C	-1.2160
2	G	C	-1.5111
3	G	C	-2.2679
4	H	C	-2.7315
5	K	C	-2.3012
6	G	C	-0.1468
7	F	C	2.1853
1	G	D	-0.9942
2	G	D	-1.4643
3	G	D	-2.4421
4	H	D	-2.4927
5	K	D	-1.6104
6	G	D	0.2951
7	F	D	2.4491
1	G	E	-0.4775
2	G	E	-1.0105
3	G	E	-1.5289
4	H	E	-2.0023
5	K	E	-1.6583
6	G	E	0.0000
7	F	E	2.1822
1	G	F	-1.2218
2	G	F	-1.2402
3	G	F	-1.3931
4	H	F	-1.1601
5	K	F	-1.7406
6	G	F	0.0000
7	F	F	0.5662
1	G	G	-1.4067
2	G	G	-1.3754
3	G	G	-1.2895
4	H	G	0.0000
5	K	G	-1.1441
6	G	G	0.0000
7	F	G	0.5815
1	G	H	-1.3254
2	G	H	-1.3339
3	G	H	-0.7172
4	H	H	0.0000
5	K	H	0.0000
6	G	H	0.0000
7	F	H	1.1406
1	G	I	-1.3235
2	G	I	-1.1693
3	G	I	0.0000
4	H	I	-0.5495
5	K	I	-0.6185
6	G	I	-0.2069
7	F	I	0.8172
1	G	J	-1.1720
2	G	J	-1.2536
3	G	J	-1.2390
4	H	J	-1.3964
5	K	J	0.0000
6	G	J	-0.0175
7	F	J	0.8916
1	G	K	-0.7721
2	G	K	-0.9525
3	G	K	-1.0043
4	H	K	-1.9490
5	K	K	-1.5721
6	G	K	-0.4299
7	F	K	0.7690
1	G	L	-0.5752
2	G	L	-0.2943
3	G	L	-0.8602
4	H	L	-2.3937
5	K	L	-2.1593
6	G	L	-0.6948
7	F	L	1.3176
1	G	M	-1.0281
2	G	M	-1.5826
3	G	M	-1.8515
4	H	M	-2.1661
5	K	M	-1.9003
6	G	M	-0.2117
7	F	M	1.9473
1	G	N	0.7699
2	G	N	-0.1740
3	G	N	0.0000
4	H	N	-1.6421
5	K	N	0.0000
6	G	N	-0.1052
7	F	N	0.7403
1	G	O	-0.1509
2	G	O	-0.2144
3	G	O	-0.6716
4	H	O	-1.5235
5	K	O	-1.0413
6	G	O	0.0120
7	F	O	1.2953
1	G	P	0.1575
2	G	P	-0.1739
3	G	P	-0.5899
4	H	P	-1.4514
5	K	P	-1.3156
6	G	P	-0.9061
7	F	P	-0.2797
1	G	Q	0.0611
2	G	Q	-0.7398
3	G	Q	-1.6564
4	H	Q	-2.4946
5	K	Q	-1.4616
6	G	Q	-0.3361
7	F	Q	1.5154
1	G	R	-0.3358
2	G	R	-0.9373
3	G	R	-1.4988
4	H	R	-2.4273
5	K	R	-1.8303
6	G	R	-0.3886
7	F	R	1.1979
1	G	S	-0.4930
2	G	S	-0.7896
3	G	S	-1.5956
4	H	S	-2.3277
5	K	S	-1.8448
6	G	S	0.0678
7	F	S	1.8695
1	G	T	-0.4210
2	G	T	-0.6043
3	G	T	-0.7758
4	H	T	-2.0899
5	K	T	-2.0657
6	G	T	-0.6837
7	F	T	0.9627