Project name: c0f70fe5035e2db

Chain sequence(s)	B: LMDEIMKLTEEIKELMKKAVEALKEDPEKAEEYVKEVKEKAKELNALFAK
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                                          (00:02:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:17)

• Minimal score value: -4.7829
• Maximal score value: 1.136
• Average score: -2.3264
• Total score value: -116.3183

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	L	B	1.1360
2	M	B	0.7872
3	D	B	-1.5263
4	E	B	-1.7989
5	I	B	0.0000
6	M	B	-1.0379
7	K	B	-2.8832
8	L	B	0.0000
9	T	B	-2.4563
10	E	B	-3.7326
11	E	B	-3.5959
12	I	B	-3.2442
13	K	B	-3.9966
14	E	B	-3.9063
15	L	B	0.0000
16	M	B	-1.9928
17	K	B	-2.8073
18	K	B	-2.4006
19	A	B	0.0000
20	V	B	-1.0709
21	E	B	-2.4976
22	A	B	0.0000
23	L	B	-1.6161
24	K	B	-2.6171
25	E	B	-3.4172
26	D	B	-3.4665
27	P	B	-3.0003
28	E	B	-3.9559
29	K	B	-4.3805
30	A	B	0.0000
31	E	B	-3.9408
32	E	B	-4.4885
33	Y	B	-3.1549
34	V	B	-2.7767
35	K	B	-4.0496
36	E	B	-4.1043
37	V	B	-3.6410
38	K	B	-4.3190
39	E	B	-4.7829
40	K	B	-3.9342
41	A	B	-3.5309
42	K	B	-4.1724
43	E	B	-3.6597
44	L	B	-2.1508
45	N	B	-2.1756
46	A	B	-1.4516
47	L	B	-0.2659
48	F	B	1.0110
49	A	B	-0.2680
50	K	B	-0.9847