Project name: a49938378df77b1

Chain sequence(s)	B: MMEEIMKLTEKIKEAMGKAVELLKKDPEEAEKELEKVKELMKELEALIAS
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                                          (00:02:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:12)

• Minimal score value: -4.3947
• Maximal score value: 1.3739
• Average score: -2.1468
• Total score value: -107.3389

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	0.9420
2	M	B	0.4703
3	E	B	-1.8673
4	E	B	-2.1603
5	I	B	-0.9676
6	M	B	-1.2808
7	K	B	-3.3065
8	L	B	0.0000
9	T	B	-2.4934
10	E	B	-4.0500
11	K	B	-3.8487
12	I	B	-3.2337
13	K	B	-3.9862
14	E	B	-3.9182
15	A	B	0.0000
16	M	B	-2.1491
17	G	B	-2.0410
18	K	B	-2.3282
19	A	B	0.0000
20	V	B	-0.8439
21	E	B	-2.3153
22	L	B	-2.7413
23	L	B	-1.7846
24	K	B	-2.4742
25	K	B	-3.1547
26	D	B	-3.0285
27	P	B	-2.8417
28	E	B	-3.7169
29	E	B	-3.9120
30	A	B	0.0000
31	E	B	-4.0811
32	K	B	-4.3558
33	E	B	-3.6649
34	L	B	-3.1833
35	E	B	-4.3472
36	K	B	-3.9892
37	V	B	0.0000
38	K	B	-3.7127
39	E	B	-4.3947
40	L	B	0.0000
41	M	B	-2.8209
42	K	B	-3.7829
43	E	B	-3.2070
44	L	B	-1.8708
45	E	B	-2.1280
46	A	B	-1.0694
47	L	B	0.1509
48	I	B	1.3739
49	A	B	0.3428
50	S	B	0.4332