Project name: e3b6179811e3785

Chain sequence(s)	B: MKTVSVTRVFTAADAGQRYRWGFSSSPSTAALEASAAANKEVFTLRAVAP
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                                          (00:00:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:22)

• Minimal score value: -2.3944
• Maximal score value: 1.8141
• Average score: -0.2596
• Total score value: -12.9789

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	0.2526
2	K	B	-0.9859
3	T	B	0.0216
4	V	B	1.0196
5	S	B	0.5742
6	V	B	0.9236
7	T	B	0.1002
8	R	B	-0.4351
9	V	B	1.2859
10	F	B	1.1295
11	T	B	0.4737
12	A	B	0.2670
13	A	B	-0.0467
14	D	B	-0.5683
15	A	B	-0.8676
16	G	B	-1.5326
17	Q	B	-1.7700
18	R	B	-2.0685
19	Y	B	-0.8281
20	R	B	-1.6328
21	W	B	-0.0290
22	G	B	0.3654
23	F	B	1.8141
24	S	B	0.6944
25	S	B	0.1947
26	S	B	0.0806
27	P	B	-0.1811
28	S	B	-0.3536
29	T	B	-0.3704
30	A	B	-0.4027
31	A	B	-0.0495
32	L	B	0.3047
33	E	B	-1.2867
34	A	B	-0.3424
35	S	B	-0.1271
36	A	B	-0.5660
37	A	B	-0.9724
38	A	B	-0.8350
39	N	B	-1.5331
40	K	B	-2.3944
41	E	B	-2.1588
42	V	B	-0.1459
43	F	B	0.1528
44	T	B	-0.6195
45	L	B	-0.5626
46	R	B	-1.3633
47	A	B	0.1768
48	V	B	1.3563
49	A	B	0.6102
50	P	B	0.2523