Project name: 678c80f4270d8ee

Chain sequence(s)	A: SGHKGHK; C: SGHKGHK; B: SGHKGHK; E: SGHKGHK; D: SGHKGHK; G: SGHKGHK; F: SGHKGHK; I: SGHKGHK; H: SGHKGHK; K: SGHKGHK; J: SGHKGHK; M: SGHKGHK; L: SGHKGHK; O: SGHKGHK; N: SGHKGHK; Q: SGHKGHK; P: SGHKGHK; S: SGHKGHK; R: SGHKGHK; T: SGHKGHK
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                                          (00:07:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:23)

• Minimal score value: -3.8273
• Maximal score value: 0.0
• Average score: -1.5841
• Total score value: -221.7685

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	S	A	-0.8357
2	G	A	-1.0440
3	H	A	0.0000
4	K	A	-1.4619
5	G	A	0.0000
6	H	A	-2.4028
7	K	A	-3.0642
1	S	B	-0.8602
2	G	B	-1.1398
3	H	B	0.0000
4	K	B	-1.5112
5	G	B	0.0000
6	H	B	-2.1670
7	K	B	-3.0611
1	S	C	-0.8700
2	G	C	-1.1841
3	H	C	0.0000
4	K	C	-1.8248
5	G	C	0.0000
6	H	C	-2.0808
7	K	C	-2.4408
1	S	D	-0.8990
2	G	D	-1.3189
3	H	D	0.0000
4	K	D	-2.0361
5	G	D	0.0000
6	H	D	-2.5926
7	K	D	-3.3828
1	S	E	-1.0204
2	G	E	-1.7267
3	H	E	0.0000
4	K	E	-2.9533
5	G	E	-3.2716
6	H	E	-3.5140
7	K	E	-3.8273
1	S	F	-0.7620
2	G	F	-1.7648
3	H	F	-2.4868
4	K	F	-3.2276
5	G	F	-2.8298
6	H	F	-3.1802
7	K	F	-3.2446
1	S	G	-1.0563
2	G	G	-1.7237
3	H	G	-2.2476
4	K	G	-2.5285
5	G	G	0.0000
6	H	G	-2.5884
7	K	G	-2.6688
1	S	H	-0.8746
2	G	H	-1.4377
3	H	H	0.0000
4	K	H	-2.2275
5	G	H	0.0000
6	H	H	-2.5538
7	K	H	-2.4385
1	S	I	-0.8264
2	G	I	-1.2741
3	H	I	0.0000
4	K	I	-2.0601
5	G	I	0.0000
6	H	I	-2.3860
7	K	I	-2.9971
1	S	J	-0.9756
2	G	J	-1.4003
3	H	J	-1.8603
4	K	J	-2.0653
5	G	J	0.0000
6	H	J	-2.3714
7	K	J	-2.5201
1	S	K	-0.9031
2	G	K	-1.2901
3	H	K	0.0000
4	K	K	-1.7701
5	G	K	0.0000
6	H	K	-2.2370
7	K	K	-3.0083
1	S	L	-0.7302
2	G	L	-1.0942
3	H	L	0.0000
4	K	L	-1.6203
5	G	L	0.0000
6	H	L	-2.1603
7	K	L	-2.5741
1	S	M	-0.7545
2	G	M	-1.2893
3	H	M	0.0000
4	K	M	-2.0754
5	G	M	0.0000
6	H	M	-2.0854
7	K	M	-2.1970
1	S	N	-0.8699
2	G	N	-1.1559
3	H	N	0.0000
4	K	N	-1.4369
5	G	N	0.0000
6	H	N	-1.9808
7	K	N	-2.5628
1	S	O	-0.7191
2	G	O	-1.0015
3	H	O	0.0000
4	K	O	-1.4547
5	G	O	0.0000
6	H	O	-1.5064
7	K	O	-1.8716
1	S	P	-0.8687
2	G	P	-1.2007
3	H	P	0.0000
4	K	P	-1.5863
5	G	P	0.0000
6	H	P	-1.7078
7	K	P	-2.1512
1	S	Q	-0.9268
2	G	Q	-1.3531
3	H	Q	-1.9536
4	K	Q	-1.9923
5	G	Q	0.0000
6	H	Q	-2.4503
7	K	Q	-3.1904
1	S	R	-0.8435
2	G	R	-1.6267
3	H	R	-2.3094
4	K	R	-2.7777
5	G	R	-2.9812
6	H	R	-3.2301
7	K	R	-3.6630
1	S	S	-0.7932
2	G	S	-1.6169
3	H	S	-2.5832
4	K	S	-3.2536
5	G	S	-3.0638
6	H	S	-3.1423
7	K	S	-3.2412
1	S	T	-0.9031
2	G	T	-1.4487
3	H	T	-2.0667
4	K	T	-2.4566
5	G	T	-2.2948
6	H	T	-2.1579
7	K	T	-2.5158