Project name: query_structure

Chain sequence(s)	A: CTCKDKVCYLNGTPCAESCVYLPCFTGVIG
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                                          (00:00:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:16)

• Minimal score value: -3.0655
• Maximal score value: 2.663
• Average score: 0.3564
• Total score value: 10.6917

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	C	A	0.8081
2	T	A	0.1609
3	C	A	-0.4714
4	K	A	-2.5779
5	D	A	-3.0655
6	K	A	-2.5333
7	V	A	-1.1784
8	C	A	0.0000
9	Y	A	0.1963
10	L	A	0.3968
11	N	A	-0.9606
12	G	A	-0.7205
13	T	A	-0.2048
14	P	A	-0.2911
15	C	A	0.1649
16	A	A	-0.5276
17	E	A	-1.1460
18	S	A	0.1057
19	C	A	1.2262
20	V	A	2.1797
21	Y	A	2.1665
22	L	A	2.0129
23	P	A	1.4523
24	C	A	1.7819
25	F	A	2.3735
26	T	A	1.4765
27	G	A	1.7156
28	V	A	2.6281
29	I	A	2.6630
30	G	A	0.8599