Project name: query_structure

Chain sequence(s)	A: EDCIPKWKGCVNRHGDCCEGLECWKRRRSFEVCVPKTPKT
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                                          (00:01:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:24)

• Minimal score value: -3.6679
• Maximal score value: 0.1413
• Average score: -1.4902
• Total score value: -59.6079

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	-2.4302
2	D	A	-2.1670
3	C	A	-0.8482
4	I	A	-0.6933
5	P	A	-1.0004
6	K	A	-1.7315
7	W	A	-0.3807
8	K	A	-1.3112
9	G	A	-0.5165
10	C	A	0.0000
11	V	A	-0.5085
12	N	A	-2.2418
13	R	A	-3.0363
14	H	A	-2.0565
15	G	A	-1.9959
16	D	A	-2.3368
17	C	A	-1.8993
18	C	A	-1.1844
19	E	A	-2.3458
20	G	A	-1.8559
21	L	A	0.0000
22	E	A	-1.6831
23	C	A	-0.8616
24	W	A	-0.1546
25	K	A	-2.3898
26	R	A	-3.4157
27	R	A	-3.6679
28	R	A	-3.2357
29	S	A	-1.5622
30	F	A	0.1413
31	E	A	-0.9212
32	V	A	0.0000
33	C	A	0.0000
34	V	A	-1.0148
35	P	A	-1.7327
36	K	A	-2.4924
37	T	A	-1.4988
38	P	A	-1.5424
39	K	A	-2.0498
40	T	A	-0.9863