Project name: query_structure

Chain sequence(s)	A: ESCVFIPCISSVIGCSCKSKVCYRNGVIPCG
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                                          (00:00:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:17)

• Minimal score value: -1.5001
• Maximal score value: 2.9945
• Average score: 0.4732
• Total score value: 14.6693

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	-0.2377
2	S	A	0.4299
3	C	A	1.2091
4	V	A	2.0722
5	F	A	2.7901
6	I	A	2.1815
7	P	A	1.2868
8	C	A	0.0000
9	I	A	2.5856
10	S	A	1.7165
11	S	A	1.5570
12	V	A	2.9945
13	I	A	2.6481
14	G	A	0.4976
15	C	A	0.0000
16	S	A	-0.4893
17	C	A	-0.5517
18	K	A	-1.4573
19	S	A	-1.0527
20	K	A	-0.8923
21	V	A	-0.6189
22	C	A	0.0000
23	Y	A	-0.7228
24	R	A	-1.4290
25	N	A	-1.5001
26	G	A	-0.2379
27	V	A	1.3567
28	I	A	1.0819
29	P	A	0.0118
30	C	A	0.0401
31	G	A	-0.6004