Project name: SKGHKGH12

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; L: SKGHKGH
Selected Chain(s)	A,C,B,E,D,G,F,I,H,K,J,L
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                                          (00:04:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:59)

• Minimal score value: -4.5836
• Maximal score value: 0.0
• Average score: -3.0342
• Total score value: -254.8713

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	-1.6127
2	K	A	-2.7875
3	G	A	-2.9112
4	H	A	-2.8587
5	K	A	-3.4841
6	G	A	-2.3390
7	H	A	-1.9914
1	S	B	-2.2753
2	K	B	-3.3662
3	G	B	-3.2612
4	H	B	-3.7646
5	K	B	-3.3777
6	G	B	-2.3015
7	H	B	-1.9271
1	S	C	-2.5854
2	K	C	-3.0727
3	G	C	-2.8335
4	H	C	-3.4041
5	K	C	-3.7140
6	G	C	-3.3138
7	H	C	-2.6755
1	S	D	0.0000
2	K	D	-4.3012
3	G	D	-3.6868
4	H	D	-3.6445
5	K	D	-3.1448
6	G	D	-2.5664
7	H	D	-1.8327
1	S	E	-2.9393
2	K	E	-4.0432
3	G	E	-4.0900
4	H	E	-3.9752
5	K	E	-3.6408
6	G	E	-2.9232
7	H	E	-2.8497
1	S	F	-1.7628
2	K	F	-3.7726
3	G	F	-2.8737
4	H	F	-3.2497
5	K	F	-3.5586
6	G	F	-3.5841
7	H	F	-3.4350
1	S	G	-1.8507
2	K	G	-3.4167
3	G	G	-3.5057
4	H	G	-3.4783
5	K	G	-3.0271
6	G	G	-2.7248
7	H	G	-1.9437
1	S	H	-2.1619
2	K	H	-3.5280
3	G	H	-3.5258
4	H	H	-3.4793
5	K	H	-3.9728
6	G	H	-3.4887
7	H	H	-3.6877
1	S	I	-1.2253
2	K	I	-2.5280
3	G	I	-2.3252
4	H	I	-2.8161
5	K	I	-3.4517
6	G	I	-3.0899
7	H	I	-3.6756
1	S	J	-3.0651
2	K	J	-4.3822
3	G	J	-3.7164
4	H	J	-3.3243
5	K	J	-3.3075
6	G	J	-2.0531
7	H	J	-1.7453
1	S	K	-2.5616
2	K	K	-3.2147
3	G	K	-2.8949
4	H	K	-3.1539
5	K	K	-3.7494
6	G	K	-3.1827
7	H	K	-2.8025
1	S	L	-2.2939
2	K	L	-3.5531
3	G	L	-3.2264
4	H	L	-3.4256
5	K	L	-4.5836
6	G	L	-3.5552
7	H	L	-2.4454