Project name: query_structure

Chain sequence(s)	A: CPKILKKCRRDSDCPGACICRGNGYCGSGSDGGV
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                                          (00:00:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:10)

• Minimal score value: -4.0115
• Maximal score value: 1.8105
• Average score: -0.757
• Total score value: -25.7376

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	0.9375
2	P	A	0.4350
3	K	A	-0.0249
4	I	A	1.8105
5	L	A	1.4067
6	K	A	-0.7597
7	K	A	-2.7671
8	C	A	0.0000
9	R	A	-3.9117
10	R	A	-4.0115
11	D	A	-3.1749
12	S	A	-2.2382
13	D	A	-2.7890
14	C	A	-1.4718
15	P	A	-0.6613
16	G	A	-0.6299
17	A	A	-0.0137
18	C	A	0.5024
19	I	A	0.2996
20	C	A	-1.6712
21	R	A	-1.5680
22	G	A	-1.6548
23	N	A	-2.0355
24	G	A	0.0000
25	Y	A	-1.2669
26	C	A	0.0000
27	G	A	0.0000
28	S	A	0.3762
29	G	A	-0.4589
30	S	A	-0.4610
31	D	A	-0.5998
32	G	A	-0.5534
33	G	A	0.0137
34	V	A	1.2040