Project name: query_structure

Chain sequence(s)	A: GKPTCGETCFKGKCYTPGCTCSYPLCKKD
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                                          (00:00:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:57)

• Minimal score value: -3.07
• Maximal score value: 1.4115
• Average score: -0.69
• Total score value: -20.0093

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	-2.4710
2	K	A	-2.8846
3	P	A	-1.9952
4	T	A	-1.6508
5	C	A	-1.0817
6	G	A	-1.0522
7	E	A	-0.4019
8	T	A	0.1331
9	C	A	0.0000
10	F	A	1.0347
11	K	A	-1.1263
12	G	A	-0.8230
13	K	A	-1.3023
14	C	A	-0.1325
15	Y	A	0.8105
16	T	A	-0.0285
17	P	A	-0.2234
18	G	A	-1.0161
19	C	A	-1.1973
20	T	A	-0.6930
21	C	A	0.2975
22	S	A	0.6362
23	Y	A	1.4115
24	P	A	0.9982
25	L	A	0.5920
26	C	A	0.0000
27	K	A	-1.9431
28	K	A	-2.8301
29	D	A	-3.0700