Project name: KKGHKGH12

Chain sequence(s)	A: KKGHKGH; C: KKGHKGH; B: KKGHKGH; E: KKGHKGH; D: KKGHKGH; G: KKGHKGH; F: KKGHKGH; I: KKGHKGH; H: KKGHKGH; K: KKGHKGH; J: KKGHKGH; L: KKGHKGH
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                                          (00:03:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:17)

• Minimal score value: -4.7471
• Maximal score value: -1.8041
• Average score: -3.4028
• Total score value: -285.8366

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	K	A	-2.9968
2	K	A	-3.9594
3	G	A	-3.3555
4	H	A	-3.3705
5	K	A	-3.5688
6	G	A	-2.5381
7	H	A	-2.0411
1	K	B	-3.5238
2	K	B	-3.9474
3	G	B	-3.4263
4	H	B	-3.3794
5	K	B	-3.2848
6	G	B	-2.4652
7	H	B	-1.9293
1	K	C	-3.0127
2	K	C	-4.3580
3	G	C	-3.8381
4	H	C	-3.5368
5	K	C	-4.1179
6	G	C	-2.4424
7	H	C	-3.0127
1	K	D	-2.7266
2	K	D	-3.3054
3	G	D	-2.6650
4	H	D	-3.1892
5	K	D	-3.2940
6	G	D	-2.7871
7	H	D	-3.0968
1	K	E	-2.8206
2	K	E	-3.2777
3	G	E	-3.1558
4	H	E	-3.9671
5	K	E	-4.3533
6	G	E	-3.6252
7	H	E	-3.5684
1	K	F	-4.0559
2	K	F	-4.7471
3	G	F	-3.2711
4	H	F	-3.9098
5	K	F	-3.6111
6	G	F	-2.7085
7	H	F	-2.9097
1	K	G	-3.6619
2	K	G	-4.1006
3	G	G	-3.7723
4	H	G	-3.7543
5	K	G	-4.4601
6	G	G	-3.3154
7	H	G	-2.6177
1	K	H	-3.6091
2	K	H	-3.9575
3	G	H	-3.8112
4	H	H	-3.2890
5	K	H	-3.6665
6	G	H	-2.4682
7	H	H	-2.5669
1	K	I	-3.5842
2	K	I	-3.7961
3	G	I	-3.8710
4	H	I	-3.4260
5	K	I	-4.1600
6	G	I	-2.7458
7	H	I	-2.7171
1	K	J	-3.1040
2	K	J	-3.4697
3	G	J	-3.7790
4	H	J	-3.8998
5	K	J	-4.1026
6	G	J	-3.3456
7	H	J	-3.1865
1	K	K	-3.8662
2	K	K	-4.0211
3	G	K	-3.7598
4	H	K	-3.2096
5	K	K	-3.4664
6	G	K	-2.9362
7	H	K	-3.9910
1	K	L	-3.6981
2	K	L	-4.2280
3	G	L	-4.0136
4	H	L	-3.9273
5	K	L	-3.4203
6	G	L	-2.1064
7	H	L	-1.8041