Project name: a431fa7e0c65533

Chain sequence(s)	B: SSPLAEELDRRRNAALSAQLSAALQASQEDMTLAWRVDGERVALARVVRL
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                                          (00:00:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:27)

• Minimal score value: -4.8043
• Maximal score value: 1.3826
• Average score: -1.3293
• Total score value: -66.4674

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	S	B	-0.5165
2	S	B	-0.3481
3	P	B	-0.4702
4	L	B	0.2555
5	A	B	-1.2415
6	E	B	-3.1106
7	E	B	-2.8017
8	L	B	-2.7248
9	D	B	-4.6068
10	R	B	-4.8043
11	R	B	-4.5941
12	R	B	-4.3222
13	N	B	-3.4803
14	A	B	-2.2073
15	A	B	-1.4345
16	L	B	-0.1795
17	S	B	-0.3852
18	A	B	-0.2826
19	Q	B	-0.6368
20	L	B	0.2432
21	S	B	-0.3063
22	A	B	-0.4465
23	A	B	-0.3737
24	L	B	-1.0562
25	Q	B	-1.6584
26	A	B	-0.9294
27	S	B	-1.7887
28	Q	B	-2.5527
29	E	B	-3.1301
30	D	B	-2.6851
31	M	B	-1.4460
32	T	B	-0.3651
33	L	B	0.3800
34	A	B	0.4121
35	W	B	0.6079
36	R	B	-2.0739
37	V	B	-1.4125
38	D	B	-2.6954
39	G	B	-2.5989
40	E	B	-3.2053
41	R	B	-2.2252
42	V	B	0.3003
43	A	B	1.0285
44	L	B	1.3826
45	A	B	0.4978
46	R	B	-1.2824
47	V	B	-0.4973
48	V	B	-0.4033
49	R	B	-1.1352
50	L	B	0.8393