Project name: query_structure

Chain sequence(s)	A: GTCNTPGCTCDPWPVCTHNGLPTCGETCFG
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                                          (00:00:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:08)

• Minimal score value: -1.7324
• Maximal score value: 0.8455
• Average score: -0.4466
• Total score value: -13.3995

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	-0.2757
2	T	A	-0.2128
3	C	A	-0.7293
4	N	A	-1.2635
5	T	A	-1.0304
6	P	A	-0.8617
7	G	A	-1.0900
8	C	A	-1.1323
9	T	A	-1.0022
10	C	A	-0.6280
11	D	A	-1.6234
12	P	A	-0.5744
13	W	A	0.5786
14	P	A	0.4655
15	V	A	0.5607
16	C	A	0.0000
17	T	A	0.0000
18	H	A	-1.4057
19	N	A	-1.7324
20	G	A	-1.0793
21	L	A	0.3359
22	P	A	-0.2292
23	T	A	-0.1841
24	C	A	-0.5077
25	G	A	-0.4543
26	E	A	-0.4285
27	T	A	0.2057
28	C	A	0.0000
29	F	A	0.8455
30	G	A	0.0535