Project name: query_structure

Chain sequence(s)	A: GIRCPKSWKCKAFKQRVLKRLLAMLRQHAF
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                                          (00:00:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:46)

• Minimal score value: -2.0914
• Maximal score value: 1.5584
• Average score: -0.4785
• Total score value: -14.3539

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	G	A	0.1158
2	I	A	0.7393
3	R	A	-1.1434
4	C	A	-0.9745
5	P	A	-1.0484
6	K	A	-1.7016
7	S	A	-0.7850
8	W	A	-0.1288
9	K	A	-1.7972
10	C	A	-1.3209
11	K	A	-2.0914
12	A	A	-0.9534
13	F	A	0.2055
14	K	A	-1.8099
15	Q	A	-1.9205
16	R	A	-1.9431
17	V	A	-0.3596
18	L	A	0.3503
19	K	A	-0.8865
20	R	A	-0.3428
21	L	A	1.5555
22	L	A	1.0898
23	A	A	0.2784
24	M	A	0.7736
25	L	A	0.8003
26	R	A	-1.2536
27	Q	A	-1.1825
28	H	A	-0.5336
29	A	A	0.3559
30	F	A	1.5584