Project name: query_structure

Chain sequence(s)	A: CIAEDYGKCTWGGTKCCRGRPCRCSMIGTNCECTP
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                                          (00:00:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:24)

• Minimal score value: -2.9958
• Maximal score value: 2.073
• Average score: -1.0775
• Total score value: -36.6358

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
4	C	A	-0.0608
5	I	A	0.0000
6	A	A	-1.4397
7	E	A	-2.5432
8	D	A	-2.4209
9	Y	A	-1.0717
10	G	A	-1.9725
11	K	A	-2.8298
12	C	A	-1.4863
13	T	A	-0.9147
14	W	A	0.3125
15	G	A	-0.3621
16	G	A	-0.5169
17	T	A	-0.8809
18	K	A	-2.3185
19	C	A	0.0000
20	C	A	-1.5558
21	R	A	-2.5312
22	G	A	-2.5235
23	R	A	-2.9958
24	P	A	-1.9973
25	C	A	-1.8565
26	R	A	-2.1591
27	C	A	-0.6599
28	S	A	0.2191
29	M	A	1.4606
30	I	A	2.0730
31	G	A	0.4213
32	T	A	-0.5518
33	N	A	-1.7555
34	C	A	0.0000
35	E	A	-2.2601
36	C	A	0.0000
37	T	A	-1.4578