Project name: 7860421879e295

Chain sequence(s)	B: GPLEALRRALAEEMRARMEEMAALVAELFGEETAEEFRKRMKAMIERLEK
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                                          (00:01:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:39)

• Minimal score value: -4.3476
• Maximal score value: 1.7858
• Average score: -1.8581
• Total score value: -92.9042

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	G	B	-0.2499
2	P	B	0.2473
3	L	B	0.8808
4	E	B	-0.9696
5	A	B	-0.0830
6	L	B	0.7905
7	R	B	-1.1956
8	R	B	-2.2269
9	A	B	-1.2378
10	L	B	-1.1786
11	A	B	0.0000
12	E	B	-3.4829
13	E	B	-3.5190
14	M	B	-3.0411
15	R	B	-3.9569
16	A	B	-3.3581
17	R	B	-3.9865
18	M	B	0.0000
19	E	B	-3.3232
20	E	B	-2.9668
21	M	B	-1.5009
22	A	B	0.0000
23	A	B	-0.8472
24	L	B	0.7324
25	V	B	0.0876
26	A	B	-0.7380
27	E	B	-0.3078
28	L	B	1.7858
29	F	B	1.6938
30	G	B	-0.7225
31	E	B	-2.9012
32	E	B	-3.3144
33	T	B	-2.0354
34	A	B	0.0000
35	E	B	-4.3476
36	E	B	-4.0633
37	F	B	-3.1312
38	R	B	-4.1010
39	K	B	-4.2768
40	R	B	-3.9145
41	M	B	-3.2937
42	K	B	-3.8339
43	A	B	-2.8500
44	M	B	-2.0818
45	I	B	0.0000
46	E	B	-3.8201
47	R	B	-3.3596
48	L	B	-2.3905
49	E	B	-3.1616
50	K	B	-3.3535