Project name: query_structure

Chain sequence(s)	A: GTPCGESCVYIPCISGVIGCSCTDKVCYLN
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                                          (00:00:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:07)

• Minimal score value: -2.042
• Maximal score value: 3.1785
• Average score: 0.6672
• Total score value: 20.0149

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	G	A	-0.8020
2	T	A	-0.3448
3	P	A	-0.1415
4	C	A	0.1464
5	G	A	-0.3521
6	E	A	0.2698
7	S	A	0.5446
8	C	A	1.2460
9	V	A	1.5090
10	Y	A	2.5368
11	I	A	2.9483
12	P	A	1.6647
13	C	A	2.0753
14	I	A	2.8994
15	S	A	1.8776
16	G	A	2.2092
17	V	A	3.1785
18	I	A	3.0824
19	G	A	1.2784
20	C	A	0.0000
21	S	A	0.0998
22	C	A	-0.3519
23	T	A	-1.0733
24	D	A	-2.0420
25	K	A	-1.1542
26	V	A	-0.4156
27	C	A	0.0000
28	Y	A	-0.1258
29	L	A	0.3894
30	N	A	-1.1375