Project name: query_structure

Chain sequence(s)	A: GSIPACGESCFKGKCYTPGCSCSKYPLCAKN
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                                          (00:00:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:24)

• Minimal score value: -1.8003
• Maximal score value: 1.021
• Average score: -0.3612
• Total score value: -11.1967

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	-1.4267
2	S	A	-0.8523
3	I	A	-0.1396
4	P	A	-0.1835
5	A	A	-0.3724
6	C	A	-0.4501
7	G	A	-0.4597
8	E	A	-0.0933
9	S	A	0.2643
10	C	A	0.0000
11	F	A	0.9281
12	K	A	-1.2769
13	G	A	-1.1558
14	K	A	-1.4560
15	C	A	-0.2282
16	Y	A	0.6539
17	T	A	-0.0357
18	P	A	-0.4245
19	G	A	-0.9117
20	C	A	-0.8898
21	S	A	-0.7817
22	C	A	-0.0547
23	S	A	-0.5973
24	K	A	-0.5962
25	Y	A	1.0210
26	P	A	0.9340
27	L	A	0.6207
28	C	A	0.0000
29	A	A	0.0000
30	K	A	-1.4323
31	N	A	-1.8003