Project name: e5631c718d94d3f

Chain sequence(s)	A: GHKGHKS; C: GHKGHKS; B: GHKGHKS; E: GHKGHKS; D: GHKGHKS; G: GHKGHKS; F: GHKGHKS; I: GHKGHKS; H: GHKGHKS; K: GHKGHKS; J: GHKGHKS; M: GHKGHKS; L: GHKGHKS; O: GHKGHKS; N: GHKGHKS; Q: GHKGHKS; P: GHKGHKS; S: GHKGHKS; R: GHKGHKS; T: GHKGHKS
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                                          (00:11:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:11:42)

• Minimal score value: -3.6348
• Maximal score value: 0.0
• Average score: -1.5319
• Total score value: -214.4647

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	-1.6042
2	H	A	-1.8285
3	K	A	-2.4720
4	G	A	0.0000
5	H	A	0.0000
6	K	A	-2.2867
7	S	A	-1.3065
1	G	B	-1.7401
2	H	B	-2.0405
3	K	B	-2.5990
4	G	B	0.0000
5	H	B	0.0000
6	K	B	-2.1937
7	S	B	-1.2593
1	G	C	-1.9648
2	H	C	-2.5352
3	K	C	-3.2497
4	G	C	0.0000
5	H	C	-2.7090
6	K	C	-2.4709
7	S	C	-1.3879
1	G	D	-1.7515
2	H	D	-2.9007
3	K	D	-3.6348
4	G	D	-2.7842
5	H	D	-2.8598
6	K	D	-2.7096
7	S	D	-1.3425
1	G	E	-1.4372
2	H	E	-2.1595
3	K	E	-3.0268
4	G	E	0.0000
5	H	E	-2.5539
6	K	E	-2.7070
7	S	E	-1.3722
1	G	F	-1.7122
2	H	F	-2.0756
3	K	F	-2.8472
4	G	F	0.0000
5	H	F	0.0000
6	K	F	-2.3621
7	S	F	-1.3955
1	G	G	-1.5591
2	H	G	-1.7811
3	K	G	-2.3837
4	G	G	0.0000
5	H	G	0.0000
6	K	G	-2.0565
7	S	G	-1.1358
1	G	H	-1.4968
2	H	H	-1.7722
3	K	H	-2.3226
4	G	H	0.0000
5	H	H	0.0000
6	K	H	-1.9473
7	S	H	-1.1660
1	G	I	-1.5260
2	H	I	-1.8634
3	K	I	-2.4766
4	G	I	0.0000
5	H	I	0.0000
6	K	I	-1.9796
7	S	I	-1.1309
1	G	J	-1.5172
2	H	J	-1.8695
3	K	J	-2.3496
4	G	J	0.0000
5	H	J	0.0000
6	K	J	-1.8936
7	S	J	-1.1377
1	G	K	-1.6034
2	H	K	-2.0882
3	K	K	-2.7579
4	G	K	0.0000
5	H	K	0.0000
6	K	K	-2.3059
7	S	K	-1.2431
1	G	L	-1.9032
2	H	L	-2.6181
3	K	L	-3.3208
4	G	L	0.0000
5	H	L	0.0000
6	K	L	-2.6245
7	S	L	-1.5251
1	G	M	-1.8604
2	H	M	-2.6147
3	K	M	-3.4757
4	G	M	-2.6961
5	H	M	-2.8124
6	K	M	-2.8537
7	S	M	-1.4317
1	G	N	-1.5315
2	H	N	-2.1540
3	K	N	-3.2456
4	G	N	-2.5986
5	H	N	-2.7138
6	K	N	-2.8556
7	S	N	-1.4118
1	G	O	-1.5542
2	H	O	-2.0533
3	K	O	-2.8201
4	G	O	0.0000
5	H	O	0.0000
6	K	O	-2.4219
7	S	O	-1.4295
1	G	P	-1.3844
2	H	P	-1.6003
3	K	P	-1.9919
4	G	P	0.0000
5	H	P	0.0000
6	K	P	-1.8073
7	S	P	-1.0057
1	G	Q	-1.3736
2	H	Q	-1.6338
3	K	Q	-2.1141
4	G	Q	0.0000
5	H	Q	0.0000
6	K	Q	-1.4822
7	S	Q	-0.9273
1	G	R	-1.3634
2	H	R	-1.6060
3	K	R	-1.7834
4	G	R	0.0000
5	H	R	0.0000
6	K	R	-1.4326
7	S	R	-0.8961
1	G	S	-1.3580
2	H	S	-1.4565
3	K	S	-1.7435
4	G	S	0.0000
5	H	S	0.0000
6	K	S	-1.3519
7	S	S	-0.9055
1	G	T	-1.4557
2	H	T	-1.6629
3	K	T	-2.0934
4	G	T	0.0000
5	H	T	0.0000
6	K	T	-1.7551
7	S	T	-1.1098