Project name: query_structure

Chain sequence(s)	A: GTIFDCGESCFLGTCYTKGCSCGEWKLCYGANG
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                                          (00:00:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:12)

• Minimal score value: -1.8491
• Maximal score value: 2.433
• Average score: 0.0199
• Total score value: 0.6583

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	-0.8564
2	T	A	0.1442
3	I	A	1.2087
4	F	A	1.2559
5	D	A	-0.9871
6	C	A	-0.2257
7	G	A	-0.0655
8	E	A	0.0800
9	S	A	0.7473
10	C	A	0.0000
11	F	A	2.4330
12	L	A	2.1434
13	G	A	0.9348
14	T	A	0.9160
15	C	A	0.7164
16	Y	A	0.7585
17	T	A	-0.5279
18	K	A	-1.5507
19	G	A	-1.4527
20	C	A	-0.6015
21	S	A	-0.1062
22	C	A	0.5556
23	G	A	-0.4691
24	E	A	-1.4851
25	W	A	0.1806
26	K	A	-0.0130
27	L	A	0.5285
28	C	A	0.0000
29	Y	A	0.6521
30	G	A	0.0000
31	A	A	-1.0760
32	N	A	-1.8491
33	G	A	-1.3307