Project name: query_structure

Chain sequence(s)	A: GAMGNVNCGGVPCKFGCCREDRCREIDCD
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                                          (00:00:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:19)

• Minimal score value: -4.4003
• Maximal score value: 0.3435
• Average score: -1.5434
• Total score value: -44.7587

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	-0.2426
2	A	A	0.0169
3	M	A	0.3435
4	G	A	-0.2866
5	N	A	-0.8044
6	V	A	-0.0153
7	N	A	-1.1081
8	C	A	-1.2536
9	G	A	-1.3558
10	G	A	-2.4283
11	V	A	-1.8979
12	P	A	-1.0078
13	C	A	0.0000
14	K	A	-1.0181
15	F	A	0.3204
16	G	A	-0.7439
17	C	A	-1.3104
18	C	A	-2.4799
19	R	A	-4.0323
20	E	A	-4.2997
21	D	A	-4.4003
22	R	A	-4.2140
23	C	A	-2.7514
24	R	A	-3.0412
25	E	A	-1.7815
26	I	A	-0.3452
27	D	A	-1.5815
28	C	A	-1.2220
29	D	A	-1.8177