Project name: query_structure

Chain sequence(s)	A: ESCVFIPCISSIVGCSCKSKVCYKNGSIPCG
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                                          (00:00:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:55)

• Minimal score value: -1.8647
• Maximal score value: 3.1268
• Average score: 0.3518
• Total score value: 10.9047

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	-0.2432
2	S	A	0.2576
3	C	A	0.9623
4	V	A	1.3775
5	F	A	2.6940
6	I	A	2.6265
7	P	A	1.6774
8	C	A	0.0000
9	I	A	2.7676
10	S	A	1.9184
11	S	A	1.8275
12	I	A	3.1268
13	V	A	2.6799
14	G	A	0.7207
15	C	A	0.0000
16	S	A	-0.3180
17	C	A	-0.4979
18	K	A	-1.8647
19	S	A	-1.3161
20	K	A	-1.2278
21	V	A	-0.7480
22	C	A	0.0000
23	Y	A	-0.8524
24	K	A	-1.0407
25	N	A	-1.6613
26	G	A	-1.2447
27	S	A	-0.5277
28	I	A	0.4257
29	P	A	-0.2096
30	C	A	0.1263
31	G	A	-0.5314