Project name: query_structure

Chain sequence(s)	A: GLPICGETCFFGKCNTPKCTCINPICYKN
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                                          (00:00:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:14)

• Minimal score value: -2.4291
• Maximal score value: 2.4924
• Average score: 0.1157
• Total score value: 3.3563

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	-0.0123
2	L	A	1.5351
3	P	A	1.4142
4	I	A	2.0051
5	C	A	0.3341
6	G	A	0.2957
7	E	A	-0.2285
8	T	A	0.5269
9	C	A	0.0000
10	F	A	2.4924
11	F	A	2.2217
12	G	A	0.6988
13	K	A	-0.9181
14	C	A	-0.9336
15	N	A	-1.9035
16	T	A	-1.4541
17	P	A	-1.5502
18	K	A	-2.4291
19	C	A	-1.1019
20	T	A	-0.7085
21	C	A	0.6294
22	I	A	1.2693
23	N	A	0.3649
24	P	A	0.8369
25	I	A	1.3494
26	C	A	0.0000
27	Y	A	0.7100
28	K	A	-0.5092
29	N	A	-1.5786