Project name: KLD-12_8

Chain sequence(s)	A: KLDLKLDLKLDL; C: KLDLKLDLKLDL; B: KLDLKLDLKLDL; E: KLDLKLDLKLDL; D: KLDLKLDLKLDL; G: KLDLKLDLKLDL; F: KLDLKLDLKLDL; H: KLDLKLDLKLDL
Selected Chain(s)	A,C,B,E,D,G,F,H
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                                          (00:03:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:48)

• Minimal score value: -2.7693
• Maximal score value: 0.9832
• Average score: -1.309
• Total score value: -125.6612

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	-1.6162
2	L	A	-0.8193
3	D	A	-2.2169
4	L	A	-1.0037
5	K	A	-2.1317
6	L	A	-1.0722
7	D	A	-2.4073
8	L	A	-1.1683
9	K	A	-1.9949
10	L	A	-0.5920
11	D	A	-1.2507
12	L	A	0.6647
1	K	B	-1.0577
2	L	B	-0.6920
3	D	B	-1.8565
4	L	B	-1.3549
5	K	B	-2.2580
6	L	B	-1.1501
7	D	B	-1.7483
8	L	B	-1.0252
9	K	B	-1.9463
10	L	B	-1.0663
11	D	B	-1.0020
12	L	B	0.7998
1	K	C	-1.1192
2	L	C	-1.0601
3	D	C	-1.5096
4	L	C	-0.9869
5	K	C	-1.3540
6	L	C	-1.1772
7	D	C	-1.6234
8	L	C	-1.3628
9	K	C	-1.4718
10	L	C	-0.8690
11	D	C	-0.5388
12	L	C	0.9832
1	K	D	-0.9915
2	L	D	-0.8714
3	D	D	-1.6854
4	L	D	-1.2131
5	K	D	-1.9063
6	L	D	-1.0685
7	D	D	-1.2845
8	L	D	-1.1067
9	K	D	-2.0352
10	L	D	-1.4121
11	D	D	-0.8664
12	L	D	0.8210
1	K	E	-2.0108
2	L	E	-1.5919
3	D	E	-2.1823
4	L	E	-1.3026
5	K	E	-1.9952
6	L	E	-1.2002
7	D	E	-1.6536
8	L	E	-1.3329
9	K	E	-1.9002
10	L	E	-0.9781
11	D	E	-0.9070
12	L	E	0.9472
1	K	F	-0.9320
2	L	F	-0.9556
3	D	F	-1.6296
4	L	F	-1.3246
5	K	F	-2.0298
6	L	F	-1.4321
7	D	F	-1.8480
8	L	F	-1.7237
9	K	F	-2.7693
10	L	F	-2.0385
11	D	F	-1.5241
12	L	F	0.3526
1	K	G	-2.3010
2	L	G	-1.5704
3	D	G	-2.6831
4	L	G	-1.6266
5	K	G	-2.5091
6	L	G	-1.2681
7	D	G	-2.0516
8	L	G	-1.2562
9	K	G	-2.0702
10	L	G	-0.8179
11	D	G	-1.0018
12	L	G	0.8326
1	K	H	-1.7081
2	L	H	-0.8679
3	D	H	-2.2971
4	L	H	-0.9318
5	K	H	-2.2103
6	L	H	-0.9634
7	D	H	-2.4106
8	L	H	-1.3321
9	K	H	-2.4658
10	L	H	-1.0440
11	D	H	-1.7620
12	L	H	0.2933