Project name: query_structure

Chain sequence(s)	A: GGLGRCIYNCMNSGGGLSFIQCKTMCY
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                                          (00:00:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:13)

• Minimal score value: -1.7615
• Maximal score value: 2.0656
• Average score: 0.1375
• Total score value: 3.7128

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	-0.4370
2	G	A	-0.0451
3	L	A	0.6931
4	G	A	-0.8322
5	R	A	-1.7615
6	C	A	-0.2832
7	I	A	0.0343
8	Y	A	-0.6285
9	N	A	-1.6586
10	C	A	-0.5227
11	M	A	0.0650
12	N	A	-1.3257
13	S	A	-1.1625
14	G	A	-1.0265
15	G	A	-0.3846
16	G	A	-0.0608
17	L	A	1.5139
18	S	A	1.2274
19	F	A	1.6772
20	I	A	2.0656
21	Q	A	0.8969
22	C	A	0.0000
23	K	A	0.3058
24	T	A	0.9255
25	M	A	1.5792
26	C	A	1.1530
27	Y	A	1.7048