Project name: GCG WT

Chain sequence(s)	A: HSQGTFTSDYSKYLDSRRAQDFVQWLMNT
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                                          (00:00:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:27)

• Minimal score value: -3.581
• Maximal score value: 2.5887
• Average score: -0.8139
• Total score value: -23.604

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	H	A	-1.6075
2	S	A	-1.3905
3	Q	A	-1.4799
4	G	A	-0.8579
5	T	A	-0.1559
6	F	A	1.1448
7	T	A	0.0156
8	S	A	-0.6187
9	D	A	-1.1416
10	Y	A	-0.0979
11	S	A	-0.8815
12	K	A	-2.2856
13	Y	A	-1.1496
14	L	A	-1.6773
15	D	A	-3.1770
16	S	A	-2.7478
17	R	A	-3.5810
18	R	A	-3.3938
19	A	A	-2.2345
20	Q	A	-2.4231
21	D	A	-1.7896
22	F	A	0.6522
23	V	A	0.7172
24	Q	A	0.4322
25	W	A	1.9978
26	L	A	2.5887
27	M	A	1.7343
28	N	A	-0.0952
29	T	A	-0.1009