Project name: query_structure

Chain sequence(s)	A: APICGESCFTGKCYTVQCSCSWPVCTRNG
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                                          (00:00:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:12)

• Minimal score value: -2.2796
• Maximal score value: 1.8214
• Average score: -0.033
• Total score value: -0.9573

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	A	A	-0.0822
2	P	A	-0.7462
3	I	A	-0.0571
4	C	A	-0.3227
5	G	A	-0.5482
6	E	A	-0.2913
7	S	A	0.5541
8	C	A	0.0000
9	F	A	1.8214
10	T	A	0.4577
11	G	A	-0.1512
12	K	A	-0.9178
13	C	A	0.0000
14	Y	A	1.1567
15	T	A	0.6322
16	V	A	1.1654
17	Q	A	-1.0749
18	C	A	-0.9480
19	S	A	-0.4055
20	C	A	0.5198
21	S	A	0.8231
22	W	A	1.6656
23	P	A	1.3977
24	V	A	1.1157
25	C	A	0.0000
26	T	A	-0.7656
27	R	A	-2.2796
28	N	A	-2.0473
29	G	A	-1.6291