Project name: query_structure

Chain sequence(s)	A: GFPCGESCVYLPCFTAAIGCSSCKSSKVCYKN
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:27)

• Minimal score value: -1.8537
• Maximal score value: 2.2357
• Average score: 0.2338
• Total score value: 7.0147

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	-0.5566
2	F	A	1.1089
3	P	A	0.2881
4	C	A	0.5002
5	G	A	-0.1887
6	E	A	-0.0322
7	S	A	0.1864
8	C	A	0.0000
9	V	A	0.9770
10	Y	A	1.7317
11	L	A	1.5362
12	P	A	0.9694
13	C	A	0.0000
14	F	A	2.2357
15	T	A	1.3436
16	A	A	1.1948
17	A	A	1.4203
18	I	A	1.9991
19	G	A	0.4573
20	C	A	0.0000
21	S	A	-0.3618
22	C	A	-0.4005
23	K	A	-1.8537
24	S	A	-1.3129
25	K	A	-1.1296
26	V	A	-0.3368
27	C	A	0.0000
28	Y	A	-0.4962
29	K	A	-0.8672
30	N	A	-1.3978