Project name: query_structure

Chain sequence(s)	A: IPPLAVINPLAVIAPNMVAV
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                                          (00:00:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:04)

• Minimal score value: 0.4223
• Maximal score value: 3.0272
• Average score: 1.8868
• Total score value: 37.7366

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	I	A	2.4228
2	P	A	1.5876
3	P	A	1.4203
4	L	A	2.4385
5	A	A	2.4581
6	V	A	3.0272
7	I	A	2.6732
8	N	A	1.1797
9	P	A	1.5429
10	L	A	2.1968
11	A	A	1.8719
12	V	A	2.1906
13	I	A	1.6676
14	A	A	1.3440
15	P	A	0.9106
16	N	A	0.4223
17	M	A	1.9588
18	V	A	2.4752
19	A	A	1.6224
20	V	A	2.3261