Project name: ee0f23dd4fdb1e5

Chain sequence(s)	B: AAFKDEMMKSLAALEKVLEKLEELLSPEQAKEARAKFAKIKAKVEKIMET
Selected Chain(s)	B
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 B 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                                          (00:02:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:11)

• Minimal score value: -4.6036
• Maximal score value: 0.5682
• Average score: -1.7762
• Total score value: -88.8107

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	B	-0.0469
2	A	B	0.0124
3	F	B	0.5682
4	K	B	-1.1161
5	D	B	-1.8207
6	E	B	-2.2413
7	M	B	-1.1640
8	M	B	-1.3448
9	K	B	-2.1641
10	S	B	-1.3402
11	L	B	-0.6517
12	A	B	-0.7732
13	A	B	-0.4700
14	L	B	0.0193
15	E	B	-1.6013
16	K	B	-2.0542
17	V	B	-0.5086
18	L	B	0.0000
19	E	B	-3.2331
20	K	B	-2.4523
21	L	B	-1.0334
22	E	B	-2.9402
23	E	B	-2.0053
24	L	B	0.1677
25	L	B	-0.6521
26	S	B	-1.4201
27	P	B	-2.3642
28	E	B	-3.7841
29	Q	B	-3.3009
30	A	B	0.0000
31	K	B	-4.5600
32	E	B	-4.6036
33	A	B	-3.6995
34	R	B	-4.3752
35	A	B	-3.1360
36	K	B	-3.1493
37	F	B	0.0000
38	A	B	-2.1019
39	K	B	-2.6447
40	I	B	-1.4392
41	K	B	-1.9021
42	A	B	-2.2363
43	K	B	-2.7510
44	V	B	0.0000
45	E	B	-3.1550
46	K	B	-2.9940
47	I	B	-1.1173
48	M	B	-1.5073
49	E	B	-2.6254
50	T	B	-1.0977