Project name: query_structure

Chain sequence(s)	A: GTFPCGESCVFIPCLTSAIGCSCKSKVCYKN
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                                          (00:00:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:21)

• Minimal score value: -1.8834
• Maximal score value: 2.8902
• Average score: 0.3439
• Total score value: 10.6608

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	-0.8780
2	T	A	0.1413
3	F	A	1.2651
4	P	A	0.3334
5	C	A	0.4327
6	G	A	-0.0777
7	E	A	0.1180
8	S	A	0.5808
9	C	A	1.1796
10	V	A	2.4893
11	F	A	2.8902
12	I	A	2.1662
13	P	A	1.2337
14	C	A	0.0000
15	L	A	1.7036
16	T	A	1.1395
17	S	A	0.7963
18	A	A	1.1556
19	I	A	1.8943
20	G	A	0.1999
21	C	A	0.0000
22	S	A	-0.5771
23	C	A	-0.3703
24	K	A	-1.8834
25	S	A	-1.1981
26	K	A	-0.9156
27	V	A	-0.4873
28	C	A	0.0000
29	Y	A	-0.5614
30	K	A	-0.6535
31	N	A	-1.4563