Project name: query_structure

Chain sequence(s)	A: CPGEGEECDVEFNPCCPPLTCIPGDPYGICYII
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                                          (00:00:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:09)

• Minimal score value: -2.7486
• Maximal score value: 3.2038
• Average score: 0.2026
• Total score value: 6.6844

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	0.5520
2	P	A	-0.8836
3	G	A	-1.1105
4	E	A	-1.9279
5	G	A	-1.8447
6	E	A	-2.7486
7	E	A	-2.1515
8	C	A	0.0000
9	D	A	0.0000
10	V	A	1.1923
11	E	A	-0.3213
12	F	A	1.2499
13	N	A	0.3913
14	P	A	0.5170
15	C	A	0.2580
16	C	A	0.5538
17	P	A	0.2772
18	P	A	0.5948
19	L	A	1.4524
20	T	A	1.6158
21	C	A	0.7690
22	I	A	1.2564
23	P	A	0.5320
24	G	A	-0.0171
25	D	A	-1.2640
26	P	A	-0.5338
27	Y	A	0.4085
28	G	A	0.0000
29	I	A	-0.1101
30	C	A	0.0000
31	Y	A	1.7370
32	I	A	3.0363
33	I	A	3.2038