Project name: query_structure

Chain sequence(s)	A: GLPTCGETCFKGKCYTPGCSCSYPICKKN
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                                          (00:00:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:26)

• Minimal score value: -2.1635
• Maximal score value: 1.4617
• Average score: -0.2843
• Total score value: -8.2454

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	0.2121
2	L	A	0.9664
3	P	A	-0.4259
4	T	A	-0.5708
5	C	A	-0.7025
6	G	A	-0.8749
7	E	A	-0.3830
8	T	A	0.1755
9	C	A	0.0000
10	F	A	1.0869
11	K	A	-1.0386
12	G	A	-0.7199
13	K	A	-1.2749
14	C	A	-0.2564
15	Y	A	0.8019
16	T	A	-0.1051
17	P	A	-0.4314
18	G	A	-1.1890
19	C	A	-1.3407
20	S	A	-0.7618
21	C	A	0.1314
22	S	A	0.6790
23	Y	A	1.4617
24	P	A	1.0836
25	I	A	0.5805
26	C	A	0.0000
27	K	A	-1.1366
28	K	A	-2.0494
29	N	A	-2.1635