Project name: 194a98036b3b017

Chain sequence(s)	B: MKRLMDMKKEFKEKKSELEKLDPVEQMKELTKLAKKIKEEVEKIKKELEA
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                                          (00:03:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:52)

• Minimal score value: -4.5412
• Maximal score value: 0.5137
• Average score: -2.4523
• Total score value: -122.6174

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	M	B	0.2751
2	K	B	-1.4986
3	R	B	-1.3485
4	L	B	-0.5433
5	M	B	-0.7216
6	D	B	-2.2956
7	M	B	0.0000
8	K	B	-2.5115
9	K	B	-3.6272
10	E	B	-3.1993
11	F	B	-2.4009
12	K	B	-4.0642
13	E	B	-4.2188
14	K	B	-3.6052
15	K	B	-3.5784
16	S	B	-3.3977
17	E	B	-3.9730
18	L	B	0.0000
19	E	B	-3.8335
20	K	B	-3.5464
21	L	B	-2.1788
22	D	B	-2.0754
23	P	B	-1.0425
24	V	B	0.5137
25	E	B	-1.5463
26	Q	B	-1.9369
27	M	B	-0.2479
28	K	B	-2.1139
29	E	B	-2.3177
30	L	B	-1.2165
31	T	B	-1.9943
32	K	B	-3.1941
33	L	B	0.0000
34	A	B	-2.4353
35	K	B	-3.8549
36	K	B	-3.5935
37	I	B	-2.8285
38	K	B	-4.1653
39	E	B	-4.5412
40	E	B	-3.5201
41	V	B	-3.2211
42	E	B	-4.3717
43	K	B	-4.1186
44	I	B	-2.7836
45	K	B	-3.8444
46	K	B	-3.9358
47	E	B	-2.7592
48	L	B	-1.2726
49	E	B	-2.5367
50	A	B	-1.3957