Project name: query_structure

Chain sequence(s)	A: GKPICGETCFKGKCYTPGCTCSYPVCKKN
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                                          (00:00:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:53)

• Minimal score value: -2.1436
• Maximal score value: 1.3975
• Average score: -0.3293
• Total score value: -9.5511

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	-1.9263
2	K	A	-2.0127
3	P	A	-0.7744
4	I	A	0.6290
5	C	A	0.0585
6	G	A	-0.3105
7	E	A	0.0030
8	T	A	0.1273
9	C	A	0.0000
10	F	A	0.9641
11	K	A	-1.1763
12	G	A	-0.9997
13	K	A	-1.2896
14	C	A	-0.1614
15	Y	A	0.8657
16	T	A	0.0340
17	P	A	-0.2086
18	G	A	-0.9227
19	C	A	-0.8773
20	T	A	-0.4666
21	C	A	0.3221
22	S	A	0.6554
23	Y	A	1.3975
24	P	A	0.9567
25	V	A	0.6961
26	C	A	0.0000
27	K	A	-1.1295
28	K	A	-1.8613
29	N	A	-2.1436