Project name: query_structure

Chain sequence(s)	A: ESCVWIPCLTATIGCSCKSKVCYRNGIPCG
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                                          (00:00:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:39)

• Minimal score value: -1.9006
• Maximal score value: 2.2902
• Average score: 0.1762
• Total score value: 5.287

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	-0.1960
2	S	A	0.1908
3	C	A	0.8052
4	V	A	1.0767
5	W	A	1.9939
6	I	A	2.2902
7	P	A	1.2755
8	C	A	0.0000
9	L	A	1.8082
10	T	A	1.0622
11	A	A	0.8291
12	T	A	0.9755
13	I	A	1.6390
14	G	A	0.1318
15	C	A	0.0000
16	S	A	-0.4373
17	C	A	-0.4353
18	K	A	-1.9006
19	S	A	-1.3343
20	K	A	-1.3095
21	V	A	-0.5853
22	C	A	0.0000
23	Y	A	-0.6383
24	R	A	-0.9862
25	N	A	-1.4154
26	G	A	-0.6309
27	I	A	1.0237
28	P	A	0.0791
29	C	A	0.1988
30	G	A	-0.2236