Project name: query_structure

Chain sequence(s)	A: CGESCAMISFCFTEVIGCSCKNKVCYLNSIS
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                                          (00:00:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:13)

• Minimal score value: -2.5928
• Maximal score value: 3.1147
• Average score: 0.4711
• Total score value: 14.6053

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	0.4770
2	G	A	-0.2598
3	E	A	-0.2723
4	S	A	-0.2829
5	C	A	0.0000
6	A	A	-0.0009
7	M	A	1.4492
8	I	A	1.7210
9	S	A	0.5898
10	F	A	2.1380
11	C	A	0.0000
12	F	A	2.8139
13	T	A	2.0276
14	E	A	1.9906
15	V	A	3.1147
16	I	A	2.8967
17	G	A	1.2249
18	C	A	0.0000
19	S	A	0.4534
20	C	A	-0.5108
21	K	A	-2.1818
22	N	A	-2.5928
23	K	A	-2.0489
24	V	A	-1.0604
25	C	A	0.0000
26	Y	A	0.1471
27	L	A	0.6030
28	N	A	-0.4685
29	S	A	0.2229
30	I	A	1.6731
31	S	A	0.7415