Project name: SGHKGHK20

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                                          (00:05:50)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:54)

• Minimal score value: -4.7868
• Maximal score value: 0.0
• Average score: -2.8818
• Total score value: -403.4575

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	-2.6627
2	G	A	-2.2009
3	H	A	-3.5565
4	K	A	-3.2963
5	G	A	-3.0792
6	H	A	-2.7964
7	K	A	-2.8702
1	S	B	-2.8549
2	G	B	0.0000
3	H	B	-2.4345
4	K	B	-2.8525
5	G	B	-2.2455
6	H	B	-2.3380
7	K	B	-2.8713
1	S	C	-1.3513
2	G	C	-2.3005
3	H	C	-2.5784
4	K	C	-3.0220
5	G	C	-2.3820
6	H	C	-3.0950
7	K	C	-3.5269
1	S	D	0.0000
2	G	D	-2.7290
3	H	D	-3.1119
4	K	D	-3.6402
5	G	D	-3.3686
6	H	D	-3.0000
7	K	D	-2.6693
1	S	E	-1.0578
2	G	E	-2.2854
3	H	E	-2.6859
4	K	E	-3.2975
5	G	E	-2.5538
6	H	E	-2.9284
7	K	E	-2.7327
1	S	F	-3.3260
2	G	F	-3.8771
3	H	F	-3.9430
4	K	F	-4.2847
5	G	F	-3.3970
6	H	F	-2.8344
7	K	F	-2.6576
1	S	G	-1.3472
2	G	G	-2.3634
3	H	G	-2.9832
4	K	G	-3.8868
5	G	G	-3.5182
6	H	G	-3.7671
7	K	G	-3.0901
1	S	H	-2.7485
2	G	H	-3.2864
3	H	H	-3.1398
4	K	H	-3.9699
5	G	H	-3.3277
6	H	H	-2.8319
7	K	H	-2.6346
1	S	I	-0.9658
2	G	I	-1.9798
3	H	I	-2.7355
4	K	I	-3.7917
5	G	I	-3.1118
6	H	I	-3.0344
7	K	I	-3.2969
1	S	J	-2.7232
2	G	J	-2.1726
3	H	J	-3.2609
4	K	J	-3.7459
5	G	J	-2.8249
6	H	J	-3.2682
7	K	J	-2.9039
1	S	K	-1.7654
2	G	K	-1.6887
3	H	K	-2.4761
4	K	K	-3.4823
5	G	K	-3.0362
6	H	K	-3.0100
7	K	K	-2.7244
1	S	L	-2.6217
2	G	L	-2.3184
3	H	L	-2.8798
4	K	L	-3.7222
5	G	L	-3.1674
6	H	L	-2.9154
7	K	L	-2.6396
1	S	M	-3.0751
2	G	M	-3.3422
3	H	M	-3.2868
4	K	M	-3.5664
5	G	M	-3.2603
6	H	M	-3.0058
7	K	M	-3.0485
1	S	N	-2.4619
2	G	N	-2.9519
3	H	N	-2.7067
4	K	N	-3.7575
5	G	N	-2.7529
6	H	N	-2.8822
7	K	N	-3.4107
1	S	O	-3.2524
2	G	O	-2.7300
3	H	O	-3.4693
4	K	O	-3.7812
5	G	O	-3.5472
6	H	O	-3.9791
7	K	O	-4.5683
1	S	P	-3.0952
2	G	P	-2.9955
3	H	P	-3.8278
4	K	P	-4.7868
5	G	P	-3.7109
6	H	P	-3.5082
7	K	P	-3.3005
1	S	Q	-0.9784
2	G	Q	-1.8018
3	H	Q	-3.0207
4	K	Q	-3.7332
5	G	Q	-2.7400
6	H	Q	-3.0334
7	K	Q	-2.6819
1	S	R	-1.7077
2	G	R	-2.2828
3	H	R	-2.9810
4	K	R	-3.3555
5	G	R	-3.1229
6	H	R	-2.8630
7	K	R	-2.8621
1	S	S	-2.1071
2	G	S	-2.2662
3	H	S	-2.4004
4	K	S	-3.2639
5	G	S	-2.6553
6	H	S	-2.6977
7	K	S	-2.6791
1	S	T	-1.8568
2	G	T	-1.9851
3	H	T	-2.8745
4	K	T	-3.2264
5	G	T	-2.7863
6	H	T	-2.9387
7	K	T	-2.6411