Project name: SKGHKGH20

Chain sequence(s)	A: SKGHKGH; C: SKGHKGH; B: SKGHKGH; E: SKGHKGH; D: SKGHKGH; G: SKGHKGH; F: SKGHKGH; I: SKGHKGH; H: SKGHKGH; K: SKGHKGH; J: SKGHKGH; M: SKGHKGH; L: SKGHKGH; O: SKGHKGH; N: SKGHKGH; Q: SKGHKGH; P: SKGHKGH; S: SKGHKGH; R: SKGHKGH; T: SKGHKGH
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                                          (00:08:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:42)

• Minimal score value: -4.2079
• Maximal score value: 0.0
• Average score: -2.6735
• Total score value: -374.2953

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	-1.3892
2	K	A	-3.1648
3	G	A	0.0000
4	H	A	-2.9214
5	K	A	-2.8417
6	G	A	-2.3412
7	H	A	-2.5823
1	S	B	-1.5963
2	K	B	-3.0184
3	G	B	-2.7177
4	H	B	-3.4491
5	K	B	-3.7084
6	G	B	0.0000
7	H	B	-3.5564
1	S	C	-1.3405
2	K	C	-2.9759
3	G	C	-2.6266
4	H	C	-3.2331
5	K	C	-3.7951
6	G	C	-2.7574
7	H	C	-3.7219
1	S	D	-2.0300
2	K	D	-3.2498
3	G	D	-2.7670
4	H	D	-3.8148
5	K	D	-3.2348
6	G	D	-2.8376
7	H	D	-3.5707
1	S	E	-1.2006
2	K	E	-2.8923
3	G	E	-2.2848
4	H	E	-2.8562
5	K	E	-3.5257
6	G	E	-2.0996
7	H	E	-1.9365
1	S	F	-2.8081
2	K	F	-3.7211
3	G	F	-3.4288
4	H	F	-3.2701
5	K	F	-3.2150
6	G	F	-2.2230
7	H	F	-2.2253
1	S	G	-2.2475
2	K	G	-3.7461
3	G	G	0.0000
4	H	G	0.0000
5	K	G	-2.6113
6	G	G	-1.9316
7	H	G	-2.1382
1	S	H	-1.6232
2	K	H	-3.1984
3	G	H	-3.3513
4	H	H	-3.2531
5	K	H	-3.3910
6	G	H	-2.4132
7	H	H	-2.0651
1	S	I	-1.5307
2	K	I	-2.7841
3	G	I	-2.8972
4	H	I	-2.9388
5	K	I	-3.1419
6	G	I	-2.1745
7	H	I	-2.5999
1	S	J	-1.6361
2	K	J	-2.8333
3	G	J	-2.6627
4	H	J	-3.1107
5	K	J	-2.7522
6	G	J	-2.1884
7	H	J	-1.8232
1	S	K	-1.2994
2	K	K	-2.7161
3	G	K	-2.1904
4	H	K	-2.8761
5	K	K	-3.7817
6	G	K	-3.3524
7	H	K	-3.4133
1	S	L	-1.2355
2	K	L	-2.5708
3	G	L	-2.5915
4	H	L	-3.0522
5	K	L	-3.8081
6	G	L	-3.3697
7	H	L	-2.9897
1	S	M	-1.4595
2	K	M	-3.1776
3	G	M	-3.4066
4	H	M	-3.5826
5	K	M	-3.4888
6	G	M	-2.1082
7	H	M	-2.3846
1	S	N	-1.1791
2	K	N	-2.5540
3	G	N	-2.7453
4	H	N	-3.1012
5	K	N	-4.1973
6	G	N	-3.0883
7	H	N	-3.0359
1	S	O	-1.2879
2	K	O	-2.5175
3	G	O	-2.3093
4	H	O	-3.1974
5	K	O	-3.8943
6	G	O	-3.1315
7	H	O	-2.9660
1	S	P	-1.3287
2	K	P	-2.5199
3	G	P	-2.8129
4	H	P	-3.2885
5	K	P	-3.6839
6	G	P	-3.6637
7	H	P	-3.3810
1	S	Q	-1.2050
2	K	Q	-2.7608
3	G	Q	-3.4593
4	H	Q	-3.7817
5	K	Q	-4.2079
6	G	Q	-3.1598
7	H	Q	-2.5461
1	S	R	-1.2969
2	K	R	-2.5549
3	G	R	-2.4579
4	H	R	-2.8823
5	K	R	-3.3226
6	G	R	-2.5252
7	H	R	-2.3860
1	S	S	-2.6692
2	K	S	-3.2872
3	G	S	-3.0444
4	H	S	0.0000
5	K	S	-3.8203
6	G	S	-2.6725
7	H	S	-2.6194
1	S	T	-1.3364
2	K	T	-2.7775
3	G	T	-2.7027
4	H	T	-3.4427
5	K	T	-3.6547
6	G	T	-2.9625
7	H	T	-2.0481