Project name: ca5cca6dd3cc146

Chain sequence(s)	A: GGKGHGF; C: GGKGHGF; B: GGKGHGF; E: GGKGHGF; D: GGKGHGF; G: GGKGHGF; F: GGKGHGF; I: GGKGHGF; H: GGKGHGF; K: GGKGHGF; J: GGKGHGF; M: GGKGHGF; L: GGKGHGF; O: GGKGHGF; N: GGKGHGF; Q: GGKGHGF; P: GGKGHGF; S: GGKGHGF; R: GGKGHGF; T: GGKGHGF
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:14)

• Minimal score value: -4.387
• Maximal score value: 1.7715
• Average score: -1.29
• Total score value: -180.6049

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	-1.4033
2	G	A	-2.2183
3	K	A	-2.8789
4	G	A	-2.1395
5	H	A	-1.4534
6	G	A	-0.0277
7	F	A	1.5521
1	G	B	-1.2353
2	G	B	-0.9717
3	K	B	-1.3555
4	G	B	0.0000
5	H	B	0.5750
6	G	B	1.5406
7	F	B	1.7109
1	G	C	0.0000
2	G	C	0.0000
3	K	C	-3.5707
4	G	C	0.0000
5	H	C	-0.1084
6	G	C	1.0323
7	F	C	1.4330
1	G	D	-1.1322
2	G	D	-1.6712
3	K	D	-2.8088
4	G	D	-1.4292
5	H	D	-1.6797
6	G	D	-0.2925
7	F	D	1.5813
1	G	E	-1.9365
2	G	E	-2.8288
3	K	E	-4.3827
4	G	E	-3.4920
5	H	E	-3.4966
6	G	E	-1.2625
7	F	E	0.0136
1	G	F	-1.7113
2	G	F	-3.0684
3	K	F	-4.3870
4	G	F	0.0000
5	H	F	-2.6651
6	G	F	0.0000
7	F	F	0.8520
1	G	G	-1.6249
2	G	G	-2.1934
3	K	G	-2.7135
4	G	G	-1.7354
5	H	G	-1.4235
6	G	G	0.4434
7	F	G	0.5701
1	G	H	-1.7336
2	G	H	-2.6659
3	K	H	-3.4846
4	G	H	-2.5619
5	H	H	-1.2471
6	G	H	-0.0541
7	F	H	1.7260
1	G	I	-1.4554
2	G	I	-2.3540
3	K	I	-3.2575
4	G	I	-2.2286
5	H	I	-1.7709
6	G	I	0.0000
7	F	I	1.0944
1	G	J	-1.6568
2	G	J	-2.2837
3	K	J	-2.8368
4	G	J	0.0000
5	H	J	-1.2119
6	G	J	0.0000
7	F	J	1.3360
1	G	K	-1.5468
2	G	K	-2.4644
3	K	K	-2.7950
4	G	K	-2.2704
5	H	K	-1.5708
6	G	K	0.0000
7	F	K	1.1210
1	G	L	-1.2723
2	G	L	-1.8520
3	K	L	-3.0254
4	G	L	-1.9872
5	H	L	-1.7369
6	G	L	-0.2931
7	F	L	1.7715
1	G	M	-1.4887
2	G	M	-2.1360
3	K	M	-2.7879
4	G	M	-1.9638
5	H	M	-1.3051
6	G	M	-0.0956
7	F	M	1.0525
1	G	N	-1.5258
2	G	N	-2.3057
3	K	N	-3.2511
4	G	N	-2.7213
5	H	N	-1.9403
6	G	N	-0.6970
7	F	N	0.7243
1	G	O	-1.6537
2	G	O	-2.3502
3	K	O	-3.4982
4	G	O	0.0000
5	H	O	-1.9011
6	G	O	0.0000
7	F	O	0.8416
1	G	P	-2.0364
2	G	P	0.0000
3	K	P	-3.7887
4	G	P	0.0000
5	H	P	-2.1545
6	G	P	0.0000
7	F	P	0.6609
1	G	Q	-2.3459
2	G	Q	-3.3638
3	K	Q	-3.4306
4	G	Q	-2.9332
5	H	Q	-2.1490
6	G	Q	-0.6744
7	F	Q	0.0000
1	G	R	-2.0227
2	G	R	-2.7282
3	K	R	-3.7183
4	G	R	-3.1408
5	H	R	-2.0798
6	G	R	0.0000
7	F	R	0.9601
1	G	S	-2.3323
2	G	S	-2.8578
3	K	S	-3.1642
4	G	S	-2.0712
5	H	S	-0.7786
6	G	S	0.0000
7	F	S	0.0000
1	G	T	-1.1820
2	G	T	-1.8357
3	K	T	-2.6057
4	G	T	-1.8407
5	H	T	-1.2944
6	G	T	0.3510
7	F	T	1.5169