Project name: query_structure

Chain sequence(s)	A: GLVPCGETCFTGKCYTPGCSCSYPICKKN
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                                          (00:00:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:17)

• Minimal score value: -1.4538
• Maximal score value: 1.8075
• Average score: 0.1571
• Total score value: 4.5546

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	-0.0693
2	L	A	1.5296
3	V	A	1.6368
4	P	A	0.3993
5	C	A	-0.0996
6	G	A	-0.5556
7	E	A	-0.4053
8	T	A	0.4213
9	C	A	0.0000
10	F	A	1.8075
11	T	A	0.4407
12	G	A	-0.2455
13	K	A	-0.9731
14	C	A	0.0000
15	Y	A	0.7491
16	T	A	-0.0439
17	P	A	-0.2495
18	G	A	-1.0062
19	C	A	-0.8764
20	S	A	-0.5827
21	C	A	0.5227
22	S	A	0.9450
23	Y	A	1.7017
24	P	A	1.3404
25	I	A	0.8303
26	C	A	0.0000
27	K	A	-0.1701
28	K	A	-1.0388
29	N	A	-1.4538