Project name: query_structure

Chain sequence(s)	A: GCLGEGEKCADWSGPSCCDGFYCSCRSMPYCRCRNNS
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                                          (00:00:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:19)

• Minimal score value: -3.6787
• Maximal score value: 0.8398
• Average score: -1.4173
• Total score value: -52.4396

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	-0.2808
2	C	A	-0.4672
3	L	A	-1.2762
4	G	A	-2.1793
5	E	A	-3.4806
6	G	A	-3.1144
7	E	A	-3.6787
8	K	A	-3.4834
9	C	A	0.0000
10	A	A	-1.3920
11	D	A	-1.3610
12	W	A	0.1655
13	S	A	-0.2784
14	G	A	-0.6621
15	P	A	-1.0262
16	S	A	-0.6911
17	C	A	0.0000
18	C	A	-1.4848
19	D	A	-2.3058
20	G	A	-2.2797
21	F	A	-2.2395
22	Y	A	-1.1843
23	C	A	-1.1256
24	S	A	-0.8929
25	C	A	-1.0179
26	R	A	-1.6368
27	S	A	-0.5977
28	M	A	0.3237
29	P	A	0.4361
30	Y	A	0.8398
31	C	A	-0.7066
32	R	A	-2.6400
33	C	A	-2.7121
34	R	A	-3.0361
35	N	A	-3.0575
36	N	A	-2.5260
37	S	A	-1.3900