Project name: SPC

Chain sequence(s)	A: LRIPCCPVNLKRLLVVVVVVVLVVVVIVGALLMGL
Selected Chain(s)	A
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 A 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                                          (00:00:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:19)

• Minimal score value: -0.5093
• Maximal score value: 6.7227
• Average score: 3.421
• Total score value: 119.7335

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	L	A	1.0478
2	R	A	-0.1172
3	I	A	1.9094
4	P	A	1.2384
5	C	A	1.4332
6	C	A	1.3664
7	P	A	1.0162
8	V	A	1.2779
9	N	A	-0.5093
10	L	A	0.8835
11	K	A	-0.2129
12	R	A	-0.0865
13	L	A	2.0184
14	L	A	2.9362
15	V	A	3.9946
16	V	A	5.0054
17	V	A	5.2947
18	V	A	6.0594
19	V	A	6.2034
20	V	A	6.5069
21	V	A	6.7227
22	L	A	6.5292
23	V	A	6.1797
24	V	A	6.1546
25	V	A	6.0925
26	V	A	5.9373
27	I	A	6.0600
28	V	A	5.0398
29	G	A	3.8642
30	A	A	3.9253
31	L	A	4.4619
32	L	A	3.6714
33	M	A	2.7882
34	G	A	1.9750
35	L	A	3.0658