Project name: query_structure

Chain sequence(s)	A: ESCVWIPCLTSIVGCSCKNNVCTLNGVPCG
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                                          (00:00:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:23)

• Minimal score value: -2.1737
• Maximal score value: 2.9765
• Average score: 0.4363
• Total score value: 13.0888

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	-0.3916
2	S	A	0.1650
3	C	A	0.7967
4	V	A	1.2464
5	W	A	2.0791
6	I	A	2.1788
7	P	A	1.2129
8	C	A	0.0000
9	L	A	2.1968
10	T	A	1.7820
11	S	A	1.8019
12	I	A	2.9765
13	V	A	2.7507
14	G	A	1.0465
15	C	A	0.0000
16	S	A	-0.0576
17	C	A	-0.4553
18	K	A	-2.1067
19	N	A	-2.1737
20	N	A	-1.3729
21	V	A	-0.5792
22	C	A	0.0000
23	T	A	-0.3928
24	L	A	0.3279
25	N	A	-0.9730
26	G	A	-0.3088
27	V	A	1.0795
28	P	A	0.2157
29	C	A	0.3944
30	G	A	-0.3504