Project name: query_structure

Chain sequence(s)	A: KRFKKFFKKVKKSVKKRLKKIFKKPMVIGVTIPF
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                                          (00:01:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:28)

• Minimal score value: -4.5367
• Maximal score value: 2.3948
• Average score: -1.1818
• Total score value: -40.1802

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	K	A	-2.8291
2	R	A	-2.5396
3	F	A	-0.8322
4	K	A	-2.3665
5	K	A	-2.2051
6	F	A	0.1589
7	F	A	0.0215
8	K	A	-2.4477
9	K	A	-2.6148
10	V	A	-1.4437
11	K	A	-3.4715
12	K	A	-4.0941
13	S	A	-3.0801
14	V	A	-2.9195
15	K	A	-4.5344
16	K	A	-4.5367
17	R	A	-3.9849
18	L	A	-2.4930
19	K	A	-3.5068
20	K	A	-3.2801
21	I	A	-1.0313
22	F	A	-0.0995
23	K	A	-1.3181
24	K	A	-0.8868
25	P	A	0.2547
26	M	A	1.2752
27	V	A	1.8006
28	I	A	2.3948
29	G	A	1.0707
30	V	A	1.3104
31	T	A	1.5377
32	I	A	2.3750
33	P	A	1.7758
34	F	A	2.3600