Project name: 5e7b024096d7961

Chain sequence(s)	A: AEAEAKAKAEAEAKAK; C: AEAEAKAKAEAEAKAK; B: AEAEAKAKAEAEAKAK; E: AEAEAKAKAEAEAKAK; D: AEAEAKAKAEAEAKAK; G: AEAEAKAKAEAEAKAK; F: AEAEAKAKAEAEAKAK; I: AEAEAKAKAEAEAKAK; H: AEAEAKAKAEAEAKAK; K: AEAEAKAKAEAEAKAK; J: AEAEAKAKAEAEAKAK; L: AEAEAKAKAEAEAKAK
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                                          (00:13:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:13:29)

• Minimal score value: -3.8336
• Maximal score value: 0.0
• Average score: -2.6209
• Total score value: -503.2048

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	A	A	-1.4755
2	E	A	-2.6067
3	A	A	-2.2591
4	E	A	-3.1114
5	A	A	-2.5679
6	K	A	-3.3294
7	A	A	-3.0964
8	K	A	-3.4409
9	A	A	-3.0083
10	E	A	-3.6891
11	A	A	-3.1337
12	E	A	-3.3779
13	A	A	-2.8626
14	K	A	-3.1149
15	A	A	-2.3447
16	K	A	-2.5489
1	A	B	-1.8448
2	E	B	-2.9361
3	A	B	-2.2170
4	E	B	-3.0730
5	A	B	-3.1392
6	K	B	-3.1212
7	A	B	-2.8164
8	K	B	-3.4956
9	A	B	0.0000
10	E	B	-3.5421
11	A	B	-2.9892
12	E	B	-3.6212
13	A	B	0.0000
14	K	B	-3.5482
15	A	B	-2.3806
16	K	B	-2.9297
1	A	C	-1.5689
2	E	C	-2.4376
3	A	C	-1.8905
4	E	C	-2.5018
5	A	C	-2.0811
6	K	C	-2.8663
7	A	C	-2.6059
8	K	C	-2.1868
9	A	C	-2.2804
10	E	C	-3.1633
11	A	C	-2.6281
12	E	C	-2.6290
13	A	C	-2.4928
14	K	C	-2.9815
15	A	C	-2.4469
16	K	C	-2.4513
1	A	D	-1.7870
2	E	D	-2.4317
3	A	D	-1.4447
4	E	D	-2.1962
5	A	D	-2.0123
6	K	D	-2.1479
7	A	D	-1.9099
8	K	D	-2.5728
9	A	D	-1.9852
10	E	D	-3.1467
11	A	D	-2.8749
12	E	D	-2.9288
13	A	D	-2.6760
14	K	D	-3.3616
15	A	D	-2.7886
16	K	D	-2.9949
1	A	E	-1.9083
2	E	E	-2.7243
3	A	E	-1.7252
4	E	E	-2.2135
5	A	E	-2.0695
6	K	E	-2.8319
7	A	E	-2.4211
8	K	E	-2.4623
9	A	E	-2.5171
10	E	E	-3.3951
11	A	E	-3.3076
12	E	E	-3.8312
13	A	E	-2.8631
14	K	E	-3.2130
15	A	E	-3.0314
16	K	E	-2.6201
1	A	F	-2.2154
2	E	F	-2.9972
3	A	F	-1.7326
4	E	F	-2.1332
5	A	F	-2.6471
6	K	F	-2.6698
7	A	F	-2.0188
8	K	F	-2.6447
9	A	F	-2.3021
10	E	F	-3.3294
11	A	F	-3.1583
12	E	F	-3.4562
13	A	F	-2.7001
14	K	F	-3.2545
15	A	F	-3.0235
16	K	F	-2.6941
1	A	G	-1.4793
2	E	G	-2.5245
3	A	G	-1.6442
4	E	G	-1.9885
5	A	G	-1.9492
6	K	G	-2.3128
7	A	G	-2.1380
8	K	G	-2.3329
9	A	G	-2.1397
10	E	G	-3.3158
11	A	G	-2.9148
12	E	G	-3.0234
13	A	G	-3.3368
14	K	G	-3.3663
15	A	G	-2.7453
16	K	G	-2.9148
1	A	H	-1.8190
2	E	H	-2.4939
3	A	H	-1.4861
4	E	H	-1.9940
5	A	H	-2.0817
6	K	H	-2.1061
7	A	H	-1.9166
8	K	H	-2.3513
9	A	H	-2.0271
10	E	H	-3.1651
11	A	H	-2.8242
12	E	H	-2.8486
13	A	H	-2.8743
14	K	H	-3.1339
15	A	H	-2.7892
16	K	H	-2.6884
1	A	I	-1.6397
2	E	I	-2.4765
3	A	I	-1.6716
4	E	I	-2.0713
5	A	I	-2.1692
6	K	I	-2.8705
7	A	I	-2.2691
8	K	I	-2.3110
9	A	I	-2.3452
10	E	I	-3.2324
11	A	I	-2.7028
12	E	I	-3.1325
13	A	I	-2.6068
14	K	I	-3.0466
15	A	I	-2.7618
16	K	I	-2.4985
1	A	J	-1.4897
2	E	J	-2.5064
3	A	J	-1.6958
4	E	J	-2.2134
5	A	J	-2.2719
6	K	J	-2.3553
7	A	J	-2.4363
8	K	J	-3.1792
9	A	J	-2.5529
10	E	J	-3.5848
11	A	J	-3.3496
12	E	J	-3.6357
13	A	J	-3.4009
14	K	J	-3.4169
15	A	J	-3.1941
16	K	J	-2.9724
1	A	K	-1.5694
2	E	K	-2.6543
3	A	K	-1.8486
4	E	K	-2.3367
5	A	K	-2.4301
6	K	K	-2.7916
7	A	K	-2.6117
8	K	K	-3.4727
9	A	K	-2.8249
10	E	K	-3.6624
11	A	K	-3.2176
12	E	K	-3.5306
13	A	K	-3.5055
14	K	K	-3.3504
15	A	K	-2.9753
16	K	K	-2.9993
1	A	L	-1.5493
2	E	L	-3.0349
3	A	L	-2.3460
4	E	L	-3.2900
5	A	L	-2.9637
6	K	L	-3.5066
7	A	L	-3.0248
8	K	L	-3.6571
9	A	L	0.0000
10	E	L	-3.8336
11	A	L	-2.9225
12	E	L	-3.7108
13	A	L	0.0000
14	K	L	-3.3327
15	A	L	-2.3331
16	K	L	-2.9272