Project name: bea22ac3ae1e336

Chain sequence(s)	B: GPLAALRRALAEEMRERMEVMAAIVEQLFGKEKAEEFRKRLKALIERLLA
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                                          (00:02:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:14)

• Minimal score value: -4.98
• Maximal score value: 1.4781
• Average score: -1.6276
• Total score value: -81.3782

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	0.0766
2	P	B	0.4860
3	L	B	1.4781
4	A	B	0.6430
5	A	B	0.5936
6	L	B	1.2912
7	R	B	-0.4211
8	R	B	-1.4838
9	A	B	-0.8818
10	L	B	-0.9967
11	A	B	0.0000
12	E	B	-3.8152
13	E	B	-3.8643
14	M	B	-3.2634
15	R	B	-4.3130
16	E	B	-4.3969
17	R	B	-3.6102
18	M	B	0.0000
19	E	B	-2.2947
20	V	B	-0.0271
21	M	B	-0.2297
22	A	B	0.0000
23	A	B	-0.2851
24	I	B	1.0282
25	V	B	0.0000
26	E	B	-2.3654
27	Q	B	-0.8603
28	L	B	1.1968
29	F	B	0.8132
30	G	B	-1.6976
31	K	B	-3.8319
32	E	B	-4.1622
33	K	B	-3.6570
34	A	B	0.0000
35	E	B	-4.9800
36	E	B	-4.5252
37	F	B	-3.6696
38	R	B	-4.2940
39	K	B	-4.1713
40	R	B	-3.6187
41	L	B	-2.8801
42	K	B	-3.1282
43	A	B	-2.2577
44	L	B	-1.3482
45	I	B	0.0000
46	E	B	-2.7144
47	R	B	-2.3149
48	L	B	-1.1808
49	L	B	-0.6854
50	A	B	-0.7590