Project name: f495a20809afca8

Chain sequence(s)	A: GHKGHKG; C: GHKGHKG; B: GHKGHKG; E: GHKGHKG; D: GHKGHKG; G: GHKGHKG; F: GHKGHKG; I: GHKGHKG; H: GHKGHKG; K: GHKGHKG; J: GHKGHKG; M: GHKGHKG; L: GHKGHKG; O: GHKGHKG; N: GHKGHKG; Q: GHKGHKG; P: GHKGHKG; S: GHKGHKG; R: GHKGHKG; T: GHKGHKG
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:23:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:23:50)

• Minimal score value: -4.2117
• Maximal score value: 0.0
• Average score: -2.0421
• Total score value: -285.8934

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	-1.8088
2	H	A	-2.3609
3	K	A	-3.3592
4	G	A	0.0000
5	H	A	0.0000
6	K	A	-3.5827
7	G	A	-2.3124
1	G	B	-1.9280
2	H	B	-2.5907
3	K	B	-3.7689
4	G	B	0.0000
5	H	B	0.0000
6	K	B	-3.4639
7	G	B	-2.2782
1	G	C	-2.1045
2	H	C	-2.8819
3	K	C	-4.0841
4	G	C	0.0000
5	H	C	0.0000
6	K	C	-3.3771
7	G	C	-2.4224
1	G	D	-1.7556
2	H	D	-3.1159
3	K	D	-3.8482
4	G	D	-3.2123
5	H	D	-3.4613
6	K	D	-3.4255
7	G	D	-2.1650
1	G	E	-1.4966
2	H	E	-2.3314
3	K	E	-2.9921
4	G	E	0.0000
5	H	E	-2.8681
6	K	E	-2.9671
7	G	E	-1.8081
1	G	F	-1.8248
2	H	F	-2.3551
3	K	F	-3.1101
4	G	F	0.0000
5	H	F	0.0000
6	K	F	-3.0939
7	G	F	-2.1321
1	G	G	-1.7449
2	H	G	-2.1763
3	K	G	-3.1558
4	G	G	0.0000
5	H	G	0.0000
6	K	G	-3.6876
7	G	G	-2.3288
1	G	H	-1.7494
2	H	H	-2.2838
3	K	H	-3.3365
4	G	H	0.0000
5	H	H	0.0000
6	K	H	-3.7571
7	G	H	-2.4292
1	G	I	-1.6991
2	H	I	-2.2928
3	K	I	-3.0706
4	G	I	0.0000
5	H	I	0.0000
6	K	I	-3.2601
7	G	I	-2.0985
1	G	J	-1.6552
2	H	J	-2.0798
3	K	J	-2.8282
4	G	J	0.0000
5	H	J	0.0000
6	K	J	-3.0766
7	G	J	-2.0658
1	G	K	-1.7621
2	H	K	-2.3768
3	K	K	-3.4728
4	G	K	0.0000
5	H	K	0.0000
6	K	K	-3.9075
7	G	K	-2.4488
1	G	L	-2.0012
2	H	L	-2.8207
3	K	L	-4.1721
4	G	L	0.0000
5	H	L	0.0000
6	K	L	-4.2117
7	G	L	-2.6609
1	G	M	-1.7081
2	H	M	-2.5081
3	K	M	-3.6182
4	G	M	-2.8863
5	H	M	-3.3032
6	K	M	-3.4211
7	G	M	-2.0826
1	G	N	-1.7676
2	H	N	-2.4647
3	K	N	-3.6679
4	G	N	-3.1681
5	H	N	-3.4019
6	K	N	-3.5312
7	G	N	-2.1259
1	G	O	-1.8619
2	H	O	-2.5500
3	K	O	-3.7208
4	G	O	0.0000
5	H	O	0.0000
6	K	O	-3.5522
7	G	O	-2.2918
1	G	P	-1.7442
2	H	P	-2.4092
3	K	P	-3.1929
4	G	P	0.0000
5	H	P	0.0000
6	K	P	-3.0596
7	G	P	-2.0894
1	G	Q	-1.7493
2	H	Q	-2.3203
3	K	Q	-3.2778
4	G	Q	0.0000
5	H	Q	0.0000
6	K	Q	-3.5178
7	G	Q	-2.2588
1	G	R	-1.6978
2	H	R	-2.2264
3	K	R	-3.0906
4	G	R	0.0000
5	H	R	0.0000
6	K	R	-3.0657
7	G	R	-2.1570
1	G	S	-1.6782
2	H	S	-2.1390
3	K	S	-2.7370
4	G	S	0.0000
5	H	S	0.0000
6	K	S	-2.7362
7	G	S	-1.8656
1	G	T	-1.7160
2	H	T	-2.2403
3	K	T	-3.1711
4	G	T	0.0000
5	H	T	0.0000
6	K	T	-3.1340
7	G	T	-2.0900