Project name: query_structure

Chain sequence(s)	A: EIPCGESCVYLPCFLPNCYCRNHVCYLNG
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                                          (00:00:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:09)

• Minimal score value: -1.9153
• Maximal score value: 2.633
• Average score: 0.2802
• Total score value: 8.1246

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	E	A	-1.1625
2	I	A	0.9453
3	P	A	0.2758
4	C	A	0.4724
5	G	A	-0.0727
6	E	A	0.3940
7	S	A	0.4728
8	C	A	1.2047
9	V	A	1.6540
10	Y	A	2.4315
11	L	A	2.6330
12	P	A	1.8240
13	C	A	1.8890
14	F	A	2.4109
15	L	A	1.5133
16	P	A	0.0813
17	N	A	-1.0878
18	C	A	-0.0006
19	Y	A	0.0476
20	C	A	0.0554
21	R	A	-1.8016
22	N	A	-1.9153
23	H	A	-0.8192
24	V	A	-0.4303
25	C	A	0.0000
26	Y	A	-0.1728
27	L	A	-0.0688
28	N	A	-1.5081
29	G	A	-1.1407