Project name: query_structure

Chain sequence(s)	A: AGECNHGRCPSGLCCSQYGYCGTGPRYCG
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:27)

• Minimal score value: -2.7452
• Maximal score value: 0.3203
• Average score: -0.8049
• Total score value: -23.3418

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	A	A	-0.2148
2	G	A	-1.1826
3	E	A	-2.1419
4	C	A	-1.9096
5	N	A	-2.7452
6	H	A	-2.5130
7	G	A	-2.0655
8	R	A	-2.7007
9	C	A	-1.3952
10	P	A	-0.6569
11	S	A	-0.6402
12	G	A	-0.2923
13	L	A	0.3203
14	C	A	0.2222
15	C	A	-0.2671
16	S	A	0.0000
17	Q	A	-0.7164
18	Y	A	0.1178
19	G	A	-0.3230
20	Y	A	-0.0957
21	C	A	0.0000
22	G	A	0.0000
23	T	A	-0.1110
24	G	A	-0.5013
25	P	A	-1.0211
26	R	A	-1.6887
27	Y	A	-0.0752
28	C	A	0.0604
29	G	A	-0.8051