Project name: KLD-12_12

Chain sequence(s)	A: KLDLKLDLKLDL; C: KLDLKLDLKLDL; B: KLDLKLDLKLDL; E: KLDLKLDLKLDL; D: KLDLKLDLKLDL; G: KLDLKLDLKLDL; F: KLDLKLDLKLDL; I: KLDLKLDLKLDL; H: KLDLKLDLKLDL; K: KLDLKLDLKLDL; J: KLDLKLDLKLDL; L: KLDLKLDLKLDL
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                                          (01:08:08)
[INFO]       Main:     Simulation completed successfully.                                          (01:08:12)

• Minimal score value: -2.5263
• Maximal score value: 1.2632
• Average score: -0.7193
• Total score value: -103.5738

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	-1.6096
2	L	A	0.0000
3	D	A	0.0000
4	L	A	0.0000
5	K	A	-2.0595
6	L	A	0.0000
7	D	A	0.0000
8	L	A	0.0000
9	K	A	-1.8980
10	L	A	0.0000
11	D	A	0.0000
12	L	A	0.7027
1	K	B	-1.3375
2	L	B	0.0000
3	D	B	0.0000
4	L	B	0.0000
5	K	B	-1.8584
6	L	B	0.0000
7	D	B	0.0000
8	L	B	0.0000
9	K	B	-2.2360
10	L	B	0.0000
11	D	B	-1.8083
12	L	B	0.5589
1	K	C	-1.9346
2	L	C	0.0000
3	D	C	0.0000
4	L	C	0.0000
5	K	C	-2.0385
6	L	C	0.0000
7	D	C	0.0000
8	L	C	0.0000
9	K	C	-1.6748
10	L	C	0.0000
11	D	C	0.0000
12	L	C	0.0000
1	K	D	-1.6986
2	L	D	0.0000
3	D	D	0.0000
4	L	D	0.0000
5	K	D	-1.7230
6	L	D	0.0000
7	D	D	0.0000
8	L	D	0.0000
9	K	D	-2.5078
10	L	D	0.0000
11	D	D	0.0000
12	L	D	1.0329
1	K	E	-1.2456
2	L	E	0.0000
3	D	E	-2.4260
4	L	E	0.0000
5	K	E	-1.4711
6	L	E	0.0000
7	D	E	0.0000
8	L	E	0.0000
9	K	E	-1.8190
10	L	E	0.0000
11	D	E	-1.8091
12	L	E	0.2274
1	K	F	-1.8507
2	L	F	-0.9390
3	D	F	-1.5095
4	L	F	-0.5566
5	K	F	-1.7550
6	L	F	-0.5609
7	D	F	-1.2635
8	L	F	-0.9533
9	K	F	-2.2546
10	L	F	-0.9851
11	D	F	-0.9649
12	L	F	1.2017
1	K	G	-1.9204
2	L	G	-1.0370
3	D	G	-1.6251
4	L	G	-0.8046
5	K	G	-1.6576
6	L	G	-0.7643
7	D	G	-1.2587
8	L	G	-0.4622
9	K	G	-1.1567
10	L	G	-0.4127
11	D	G	-0.4786
12	L	G	1.2632
1	K	H	-0.9401
2	L	H	0.0000
3	D	H	0.0000
4	L	H	0.0000
5	K	H	-1.6840
6	L	H	0.0000
7	D	H	0.0000
8	L	H	0.0000
9	K	H	-2.0713
10	L	H	0.0000
11	D	H	-2.0138
12	L	H	0.3022
1	K	I	-1.5536
2	L	I	0.0000
3	D	I	-2.4862
4	L	I	0.0000
5	K	I	-1.8547
6	L	I	0.0000
7	D	I	0.0000
8	L	I	0.0000
9	K	I	-1.6911
10	L	I	0.0000
11	D	I	-1.6388
12	L	I	0.3712
1	K	J	-1.5545
2	L	J	0.0000
3	D	J	0.0000
4	L	J	0.0000
5	K	J	-1.6138
6	L	J	0.0000
7	D	J	0.0000
8	L	J	0.0000
9	K	J	-2.5263
10	L	J	0.0000
11	D	J	0.0000
12	L	J	0.6182
1	K	K	-1.8397
2	L	K	-1.2691
3	D	K	-2.5116
4	L	K	-0.9734
5	K	K	-1.9845
6	L	K	-0.6447
7	D	K	-1.5715
8	L	K	-0.4777
9	K	K	-1.2596
10	L	K	-0.5459
11	D	K	-1.5203
12	L	K	0.7457
1	K	L	-1.8353
2	L	L	-0.8824
3	D	L	-2.2846
4	L	L	-0.9667
5	K	L	-2.1361
6	L	L	-0.9905
7	D	L	-2.1220
8	L	L	-1.1578
9	K	L	-2.2829
10	L	L	-1.0036
11	D	L	-1.3678
12	L	L	0.9844