Project name: 4a2920546d67e42

Chain sequence(s)	A: EDEDEDEDEDEDGGKGHFG; C: EDEDEDEDEDEDGGKGHFG; B: EDEDEDEDEDEDGGKGHFG; E: EDEDEDEDEDEDGGKGHFG; D: EDEDEDEDEDEDGGKGHFG; G: EDEDEDEDEDEDGGKGHFG; F: EDEDEDEDEDEDGGKGHFG; I: EDEDEDEDEDEDGGKGHFG; H: EDEDEDEDEDEDGGKGHFG; K: EDEDEDEDEDEDGGKGHFG; J: EDEDEDEDEDEDGGKGHFG; L: EDEDEDEDEDEDGGKGHFG
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                                          (00:10:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:25)

• Minimal score value: -5.6558
• Maximal score value: 0.2724
• Average score: -2.4253
• Total score value: -552.9678

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	E	A	-4.4452
2	D	A	-4.5307
3	E	A	-5.1731
4	D	A	0.0000
5	E	A	-4.9813
6	D	A	0.0000
7	E	A	-5.0603
8	D	A	-4.1636
9	E	A	-5.3185
10	D	A	0.0000
11	E	A	-4.7992
12	D	A	0.0000
13	G	A	-2.1098
14	G	A	0.0000
15	K	A	-1.3353
16	G	A	0.0000
17	H	A	0.0000
18	F	A	0.0000
19	G	A	-0.2024
1	E	B	-4.1464
2	D	B	-4.5826
3	E	B	-5.1593
4	D	B	-4.4043
5	E	B	-4.4425
6	D	B	-3.2633
7	E	B	-4.2475
8	D	B	-3.4782
9	E	B	-4.4207
10	D	B	-3.5791
11	E	B	-4.1025
12	D	B	-2.5201
13	G	B	-1.8881
14	G	B	-1.1520
15	K	B	-1.8139
16	G	B	-2.1429
17	H	B	0.0000
18	F	B	0.2724
19	G	B	-0.1177
1	E	C	-4.1830
2	D	C	-4.6207
3	E	C	-4.8321
4	D	C	-3.7443
5	E	C	-3.7940
6	D	C	-2.6446
7	E	C	-4.0559
8	D	C	-3.2924
9	E	C	-4.6500
10	D	C	-3.9603
11	E	C	-4.2072
12	D	C	-2.6765
13	G	C	-1.9497
14	G	C	-1.2874
15	K	C	-2.3190
16	G	C	-2.8756
17	H	C	-1.0297
18	F	C	-0.3376
19	G	C	-0.5197
1	E	D	-4.5282
2	D	D	-4.4888
3	E	D	-4.7212
4	D	D	0.0000
5	E	D	-4.0484
6	D	D	0.0000
7	E	D	-4.8029
8	D	D	-4.0880
9	E	D	-5.5632
10	D	D	0.0000
11	E	D	-4.8636
12	D	D	0.0000
13	G	D	-2.1038
14	G	D	0.0000
15	K	D	-1.5878
16	G	D	0.0000
17	H	D	0.0000
18	F	D	0.0000
19	G	D	-0.3633
1	E	E	-4.0532
2	D	E	-3.7295
3	E	E	-3.7234
4	D	E	0.0000
5	E	E	-3.3399
6	D	E	0.0000
7	E	E	-4.5728
8	D	E	-3.7633
9	E	E	-5.3059
10	D	E	0.0000
11	E	E	-4.5994
12	D	E	0.0000
13	G	E	-1.9327
14	G	E	0.0000
15	K	E	-1.3550
16	G	E	0.0000
17	H	E	0.0000
18	F	E	0.0000
19	G	E	-0.5659
1	E	F	-4.0121
2	D	F	-3.4717
3	E	F	-3.7632
4	D	F	0.0000
5	E	F	-3.6317
6	D	F	0.0000
7	E	F	-4.5072
8	D	F	0.0000
9	E	F	-5.0346
10	D	F	0.0000
11	E	F	-4.6216
12	D	F	0.0000
13	G	F	-1.9484
14	G	F	0.0000
15	K	F	-1.5749
16	G	F	0.0000
17	H	F	0.0000
18	F	F	0.0000
19	G	F	-0.5683
1	E	G	-4.4887
2	D	G	-4.3195
3	E	G	-4.8020
4	D	G	0.0000
5	E	G	-4.5616
6	D	G	0.0000
7	E	G	-5.0343
8	D	G	0.0000
9	E	G	-5.5202
10	D	G	0.0000
11	E	G	-4.9261
12	D	G	0.0000
13	G	G	-2.2764
14	G	G	0.0000
15	K	G	-2.5077
16	G	G	0.0000
17	H	G	0.0000
18	F	G	0.0000
19	G	G	-0.8971
1	E	H	-3.9056
2	D	H	-4.5967
3	E	H	-4.8721
4	D	H	-4.2227
5	E	H	-4.4049
6	D	H	-3.6100
7	E	H	-4.6301
8	D	H	-3.9759
9	E	H	-4.9500
10	D	H	-4.4805
11	E	H	-4.4671
12	D	H	-3.0600
13	G	H	-2.1772
14	G	H	-1.9405
15	K	H	-3.0394
16	G	H	-2.9447
17	H	H	-1.3848
18	F	H	-0.5129
19	G	H	-1.1088
1	E	I	-4.0653
2	D	I	-4.9391
3	E	I	-5.2045
4	D	I	-4.5663
5	E	I	-4.5623
6	D	I	-3.5303
7	E	I	-4.4108
8	D	I	-3.8628
9	E	I	-4.8257
10	D	I	-4.5722
11	E	I	-4.4964
12	D	I	-3.1513
13	G	I	-2.1787
14	G	I	-1.9611
15	K	I	-2.5420
16	G	I	-2.6592
17	H	I	-1.5118
18	F	I	-1.0904
19	G	I	-1.2134
1	E	J	-4.6156
2	D	J	-4.4530
3	E	J	-5.1028
4	D	J	0.0000
5	E	J	-5.0225
6	D	J	0.0000
7	E	J	-5.4306
8	D	J	-4.6067
9	E	J	-5.6558
10	D	J	0.0000
11	E	J	-5.0474
12	D	J	0.0000
13	G	J	-2.3147
14	G	J	0.0000
15	K	J	-1.8640
16	G	J	0.0000
17	H	J	0.0000
18	F	J	0.0000
19	G	J	-1.0187
1	E	K	-4.0825
2	D	K	-3.6586
3	E	K	-4.2370
4	D	K	0.0000
5	E	K	-4.3524
6	D	K	0.0000
7	E	K	-4.9768
8	D	K	-4.0780
9	E	K	-5.1350
10	D	K	0.0000
11	E	K	-4.7240
12	D	K	0.0000
13	G	K	-2.0118
14	G	K	0.0000
15	K	K	-1.3186
16	G	K	0.0000
17	H	K	0.0000
18	F	K	0.0000
19	G	K	-0.6868
1	E	L	-4.0708
2	D	L	-3.6229
3	E	L	-4.1397
4	D	L	0.0000
5	E	L	-4.0184
6	D	L	0.0000
7	E	L	-4.7208
8	D	L	0.0000
9	E	L	-5.0453
10	D	L	0.0000
11	E	L	-4.6915
12	D	L	0.0000
13	G	L	-1.9699
14	G	L	0.0000
15	K	L	-1.2119
16	G	L	0.0000
17	H	L	0.0000
18	F	L	0.0000
19	G	L	-0.6005