Project name: query_structure

Chain sequence(s)	A: GCKLTFWKCKNKKECCGWNACALGICMPR
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                                          (00:00:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:32)

• Minimal score value: -2.9238
• Maximal score value: 2.659
• Average score: -0.1501
• Total score value: -4.3543

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	-0.1891
2	C	A	0.5855
3	K	A	0.7876
4	L	A	2.3117
5	T	A	1.5952
6	F	A	2.6590
7	W	A	1.2933
8	K	A	-0.9237
9	C	A	0.0000
10	K	A	-2.8711
11	N	A	-2.9238
12	K	A	-2.6403
13	K	A	-2.4602
14	E	A	-1.5845
15	C	A	0.0000
16	C	A	0.8261
17	G	A	0.2451
18	W	A	0.2867
19	N	A	-0.8199
20	A	A	-1.3674
21	C	A	-0.8032
22	A	A	0.1832
23	L	A	1.7348
24	G	A	0.3534
25	I	A	0.6686
26	C	A	0.0000
27	M	A	1.0730
28	P	A	-0.5751
29	R	A	-1.7992