Project name: query_structure

Chain sequence(s)	A: APGECKHGRCPPGICCSQYGYCGTGPAYC
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]                                                (00:00:03)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:03)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:03)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:03)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:48)

• Minimal score value: -3.0716
• Maximal score value: 1.2126
• Average score: -0.4235
• Total score value: -12.2819

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	A	A	-0.6530
2	P	A	-0.7093
3	G	A	-0.7410
4	E	A	-1.8946
5	C	A	-2.0140
6	K	A	-3.0716
7	H	A	-2.7637
8	G	A	-2.2659
9	R	A	-2.8055
10	C	A	-1.2478
11	P	A	-0.5367
12	P	A	-0.5823
13	G	A	-0.1651
14	I	A	0.6339
15	C	A	0.7191
16	C	A	0.3704
17	S	A	0.0000
18	Q	A	-0.0390
19	Y	A	0.9126
20	G	A	-0.1002
21	Y	A	0.4782
22	C	A	0.1259
23	G	A	0.6060
24	T	A	0.4090
25	G	A	0.2685
26	P	A	0.1672
27	A	A	0.4574
28	Y	A	1.2126
29	C	A	0.9470