Project name: query_structure

Chain sequence(s)	A: GILSSFKGVAKGVAKDLAGKLLETLKCKITGC
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                                          (00:00:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:37)

• Minimal score value: -2.5124
• Maximal score value: 2.664
• Average score: -0.2068
• Total score value: -6.6165

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	G	A	1.1645
2	I	A	2.6640
3	L	A	2.5887
4	S	A	1.2366
5	S	A	1.4620
6	F	A	2.1951
7	K	A	-0.3277
8	G	A	0.1701
9	V	A	1.2365
10	A	A	0.3999
11	K	A	-1.6891
12	G	A	-1.1519
13	V	A	-0.4416
14	A	A	-1.0210
15	K	A	-2.5124
16	D	A	-2.3524
17	L	A	-0.7365
18	A	A	-0.8110
19	G	A	-1.6646
20	K	A	-1.7119
21	L	A	0.3650
22	L	A	-0.3906
23	E	A	-1.8531
24	T	A	-0.6284
25	L	A	0.0480
26	K	A	-0.9553
27	C	A	-1.0182
28	K	A	-0.9856
29	I	A	0.8878
30	T	A	0.1591
31	G	A	-0.3090
32	C	A	-0.6335