Project name: query_structure

Chain sequence(s)	A: GTCNTPGCSCSSWPICTRNGLPTCGETCFG
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                                          (00:00:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:09)

• Minimal score value: -1.6271
• Maximal score value: 1.2799
• Average score: -0.2289
• Total score value: -6.8657

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	0.0792
2	T	A	-0.0430
3	C	A	-0.5019
4	N	A	-1.2160
5	T	A	-1.0687
6	P	A	-0.9009
7	G	A	-1.1632
8	C	A	-1.0140
9	S	A	-0.6206
10	C	A	0.1053
11	S	A	-0.1092
12	S	A	0.4694
13	W	A	1.2799
14	P	A	0.8376
15	I	A	0.9980
16	C	A	0.0000
17	T	A	0.0000
18	R	A	-1.3856
19	N	A	-1.6271
20	G	A	-0.7730
21	L	A	0.4871
22	P	A	-0.0240
23	T	A	-0.2217
24	C	A	-0.5501
25	G	A	-0.4313
26	E	A	-0.3793
27	T	A	0.2249
28	C	A	0.0000
29	F	A	0.7753
30	G	A	-0.0928