Project name: query_structure

Chain sequence(s)	A: ASCNGVCSPFEMPPCGTSACRCIPVGLVIGYCRNPSG
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                                          (00:00:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:09)

• Minimal score value: -2.0973
• Maximal score value: 4.0786
• Average score: 0.4316
• Total score value: 15.9695

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	A	A	-0.2144
2	S	A	-0.8057
3	C	A	-1.1764
4	N	A	-1.4723
5	G	A	0.0033
6	V	A	2.1221
7	C	A	0.0000
8	S	A	2.4520
9	P	A	2.0200
10	F	A	2.1642
11	E	A	0.2586
12	M	A	0.3805
13	P	A	-0.1279
14	P	A	0.0000
15	C	A	-0.1852
16	G	A	-0.3622
17	T	A	-0.3463
18	S	A	-0.4730
19	A	A	-0.6993
20	C	A	0.0000
21	R	A	-2.0973
22	C	A	-0.1198
23	I	A	0.7697
24	P	A	2.2383
25	V	A	3.0025
26	G	A	2.7302
27	L	A	3.3525
28	V	A	3.7927
29	I	A	4.0786
30	G	A	0.0000
31	Y	A	1.2366
32	C	A	0.0000
33	R	A	-1.8289
34	N	A	-1.7854
35	P	A	-1.2543
36	S	A	-0.8018
37	G	A	-0.8821