Project name: 21d31691186e1d

Chain sequence(s)	A: GGKGHFF; C: GGKGHFF; B: GGKGHFF; E: GGKGHFF; D: GGKGHFF; G: GGKGHFF; F: GGKGHFF; I: GGKGHFF; H: GGKGHFF; K: GGKGHFF; J: GGKGHFF; M: GGKGHFF; L: GGKGHFF; O: GGKGHFF; N: GGKGHFF; Q: GGKGHFF; P: GGKGHFF; S: GGKGHFF; R: GGKGHFF; T: GGKGHFF
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]                                                (00:00:03)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:03)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:03)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:03)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:53)

• Minimal score value: -2.4258
• Maximal score value: 2.827
• Average score: -0.0969
• Total score value: -13.56

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	-1.2623
2	G	A	-0.8391
3	K	A	-0.2999
4	G	A	0.0000
5	H	A	0.0000
6	F	A	1.4952
7	F	A	0.8385
1	G	B	-0.0166
2	G	B	0.3237
3	K	B	0.4754
4	G	B	0.0000
5	H	B	0.0000
6	F	B	0.3572
7	F	B	-0.2612
1	G	C	-0.3412
2	G	C	-0.0755
3	K	C	0.4874
4	G	C	0.0000
5	H	C	0.0000
6	F	C	1.1414
7	F	C	0.1562
1	G	D	-0.9260
2	G	D	-0.8987
3	K	D	-0.6725
4	G	D	0.1490
5	H	D	0.9015
6	F	D	1.9028
7	F	D	2.2428
1	G	E	-1.1772
2	G	E	-1.7679
3	K	E	-2.4258
4	G	E	-1.0119
5	H	E	0.7761
6	F	E	2.7784
7	F	E	2.8270
1	G	F	-1.0524
2	G	F	-0.8723
3	K	F	-0.6640
4	G	F	0.2574
5	H	F	0.8484
6	F	F	2.2308
7	F	F	2.1285
1	G	G	-0.2169
2	G	G	0.3605
3	K	G	0.7507
4	G	G	0.0000
5	H	G	0.0000
6	F	G	1.4561
7	F	G	0.2449
1	G	H	-0.4404
2	G	H	-0.8468
3	K	H	-1.8121
4	G	H	-0.9265
5	H	H	-0.6670
6	F	H	1.1291
7	F	H	1.7363
1	G	I	-0.7134
2	G	I	0.2848
3	K	I	0.6178
4	G	I	0.0000
5	H	I	0.0000
6	F	I	0.0000
7	F	I	-0.8893
1	G	J	-0.7795
2	G	J	-0.4579
3	K	J	-0.5496
4	G	J	0.0000
5	H	J	0.0000
6	F	J	0.0000
7	F	J	0.0000
1	G	K	-1.1727
2	G	K	-1.4175
3	K	K	-2.1486
4	G	K	-1.7613
5	H	K	-1.1293
6	F	K	0.3495
7	F	K	1.6463
1	G	L	-0.3702
2	G	L	0.3262
3	K	L	-0.0141
4	G	L	0.0000
5	H	L	-0.9174
6	F	L	0.0000
7	F	L	-0.6505
1	G	M	-0.6584
2	G	M	-0.5366
3	K	M	-0.9899
4	G	M	0.0000
5	H	M	-0.8106
6	F	M	0.0000
7	F	M	0.6733
1	G	N	-0.9421
2	G	N	-0.5037
3	K	N	-0.4817
4	G	N	0.0000
5	H	N	0.0000
6	F	N	0.0000
7	F	N	0.0000
1	G	O	-0.9267
2	G	O	-0.9968
3	K	O	-1.8850
4	G	O	0.0000
5	H	O	-1.1824
6	F	O	0.0000
7	F	O	1.3477
1	G	P	-0.3741
2	G	P	-0.0263
3	K	P	-0.3649
4	G	P	0.0000
5	H	P	-0.9937
6	F	P	0.0000
7	F	P	-0.5641
1	G	Q	-0.7059
2	G	Q	0.2708
3	K	Q	0.2352
4	G	Q	0.0000
5	H	Q	-0.0372
6	F	Q	-0.0313
7	F	Q	0.4106
1	G	R	-0.9535
2	G	R	-1.3348
3	K	R	-2.0764
4	G	R	-1.1476
5	H	R	-0.1419
6	F	R	2.1743
7	F	R	2.4368
1	G	S	-0.0231
2	G	S	0.4157
3	K	S	0.2438
4	G	S	0.0000
5	H	S	0.0000
6	F	S	0.0749
7	F	S	-0.1378
1	G	T	-0.8431
2	G	T	-0.5153
3	K	T	-0.4326
4	G	T	0.0000
5	H	T	0.0000
6	F	T	0.0000
7	F	T	0.0000