Project name: query_structure

Chain sequence(s)	A: CIPKWNRCGPKMDGVPCCEPYTCTSDYYGNCS
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                                          (00:00:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:13)

• Minimal score value: -1.894
• Maximal score value: 0.8678
• Average score: -0.7011
• Total score value: -22.4348

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	0.6859
2	I	A	-0.2617
3	P	A	-1.0671
4	K	A	-1.7790
5	W	A	-0.3722
6	N	A	-1.3958
7	R	A	-1.7731
8	C	A	0.0000
9	G	A	0.0000
10	P	A	-1.3098
11	K	A	-1.7570
12	M	A	-0.4564
13	D	A	-1.8209
14	G	A	-1.2874
15	V	A	-0.0761
16	P	A	-0.2585
17	C	A	0.0000
18	C	A	-0.6899
19	E	A	-1.8940
20	P	A	-1.3692
21	Y	A	-0.7681
22	T	A	-0.5504
23	C	A	-0.5279
24	T	A	-0.4017
25	S	A	-0.8643
26	D	A	-1.5120
27	Y	A	0.2391
28	Y	A	0.8678
29	G	A	-0.2534
30	N	A	-1.1547
31	C	A	0.0000
32	S	A	-0.6270