Project name: query_structure

Chain sequence(s)	A: ESCVFIPCLTSAIGCSCKSKVCYRNGIPCG
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:46)

• Minimal score value: -1.7306
• Maximal score value: 2.6657
• Average score: 0.2737
• Total score value: 8.2112

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	E	A	-0.1725
2	S	A	0.3387
3	C	A	1.0066
4	V	A	1.9142
5	F	A	2.6657
6	I	A	1.9102
7	P	A	1.0808
8	C	A	0.0000
9	L	A	1.6677
10	T	A	1.0845
11	S	A	0.7541
12	A	A	1.1157
13	I	A	1.8769
14	G	A	0.2503
15	C	A	0.0000
16	S	A	-0.3635
17	C	A	-0.4232
18	K	A	-1.7306
19	S	A	-1.2274
20	K	A	-1.0664
21	V	A	-0.3792
22	C	A	0.0000
23	Y	A	-0.5198
24	R	A	-0.7698
25	N	A	-1.3009
26	G	A	-0.5425
27	I	A	1.1175
28	P	A	0.1366
29	C	A	0.2276
30	G	A	-0.4401