Project name: efca5e447cd200e

Chain sequence(s)	B: SALRALMAELMARLERRIEVLREMAKQAGVPEEEVEEKAAELRARLEAAL
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                                          (00:01:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:45)

• Minimal score value: -4.9411
• Maximal score value: 1.2694
• Average score: -1.7809
• Total score value: -89.0437

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	-0.0334
2	A	B	0.6155
3	L	B	1.2694
4	R	B	-0.5484
5	A	B	0.1374
6	L	B	1.2566
7	M	B	0.2756
8	A	B	-0.3473
9	E	B	-1.0697
10	L	B	-0.5353
11	M	B	-1.3315
12	A	B	-1.8189
13	R	B	-3.0396
14	L	B	-2.5188
15	E	B	-3.4808
16	R	B	-3.9150
17	R	B	-3.6045
18	I	B	0.0000
19	E	B	-3.2640
20	V	B	-0.9976
21	L	B	-1.4847
22	R	B	-3.1322
23	E	B	-2.5861
24	M	B	-0.7552
25	A	B	0.0000
26	K	B	-2.7508
27	Q	B	-2.1530
28	A	B	-1.1124
29	G	B	-1.2364
30	V	B	-1.2935
31	P	B	-2.2383
32	E	B	-4.0177
33	E	B	-4.5471
34	E	B	-4.4896
35	V	B	0.0000
36	E	B	-4.8855
37	E	B	-4.9411
38	K	B	-4.1399
39	A	B	0.0000
40	A	B	-2.8425
41	E	B	-3.3602
42	L	B	-2.4905
43	R	B	-2.8941
44	A	B	-2.2855
45	R	B	-2.6129
46	L	B	-1.4311
47	E	B	-2.0718
48	A	B	-0.9356
49	A	B	-0.2190
50	L	B	0.8133