Project name: query_structure

Chain sequence(s)	A: SNLSTAVLGKLSQELHKLQTYPRTDVGAGTP
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                                          (00:00:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:20)

• Minimal score value: -2.4914
• Maximal score value: 1.124
• Average score: -0.6023
• Total score value: -18.6724

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	A	-0.3892
2	N	A	-0.6027
3	L	A	1.1240
4	S	A	0.5246
5	T	A	0.3631
6	A	A	0.3908
7	V	A	0.6381
8	L	A	0.7537
9	G	A	-0.6796
10	K	A	-1.7368
11	L	A	-0.5796
12	S	A	-0.9604
13	Q	A	-2.4914
14	E	A	-2.2095
15	L	A	-0.4020
16	H	A	-1.7657
17	K	A	-1.5944
18	L	A	0.0707
19	Q	A	-1.1419
20	T	A	-0.8013
21	Y	A	0.1505
22	P	A	-0.8814
23	R	A	-1.9112
24	T	A	-1.2171
25	D	A	-1.7572
26	V	A	0.1355
27	G	A	-0.4707
28	A	A	-0.0986
29	G	A	-0.4091
30	T	A	-0.3268
31	P	A	-0.3968