Project name: query_structure

Chain sequence(s)	A: GPSFCKADEKPCEYHADCCNCCLSGICAPSTNWILPGC
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                                          (00:00:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:38)

• Minimal score value: -3.3172
• Maximal score value: 3.0957
• Average score: -0.4483
• Total score value: -17.0346

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	-0.4997
2	P	A	-0.3752
3	S	A	-0.1081
4	F	A	0.4980
5	C	A	0.0880
6	K	A	-1.8679
7	A	A	-2.0924
8	D	A	-3.0169
9	E	A	-3.3172
10	K	A	-3.1275
11	P	A	-1.7796
12	C	A	-1.5093
13	E	A	-1.5988
14	Y	A	-0.1637
15	H	A	-0.6107
16	A	A	-0.5760
17	D	A	-1.8744
18	C	A	0.0000
19	C	A	0.1935
20	N	A	-0.2474
21	C	A	-0.2742
22	C	A	0.0000
23	L	A	-0.2439
24	S	A	-0.5069
25	G	A	-1.1226
26	I	A	-1.4644
27	C	A	0.0000
28	A	A	-1.2820
29	P	A	-0.6824
30	S	A	-0.3391
31	T	A	-0.1067
32	N	A	0.7484
33	W	A	2.2167
34	I	A	3.0957
35	L	A	2.5830
36	P	A	1.1270
37	G	A	0.4364
38	C	A	0.7657