Project name: query_structure

Chain sequence(s)	A: GTCNTPGCSCSSWPICTRDGLPTCGETCFG
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                                          (00:00:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:06)

• Minimal score value: -1.8231
• Maximal score value: 1.7136
• Average score: -0.2268
• Total score value: -6.8029

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	-0.5973
2	T	A	-0.5371
3	C	A	-0.7226
4	N	A	-1.6289
5	T	A	-1.0549
6	P	A	-0.7784
7	G	A	-0.6993
8	C	A	-0.3091
9	S	A	-0.2518
10	C	A	0.2946
11	S	A	-0.0845
12	S	A	0.3164
13	W	A	1.0521
14	P	A	0.3779
15	I	A	1.4588
16	C	A	0.7936
17	T	A	-0.4763
18	R	A	-1.7092
19	D	A	-1.8231
20	G	A	-0.8571
21	L	A	0.6140
22	P	A	-0.1093
23	T	A	-0.4317
24	C	A	-0.3582
25	G	A	-1.3818
26	E	A	-1.6864
27	T	A	-0.0206
28	C	A	1.4171
29	F	A	1.7136
30	G	A	0.6766