Project name: query_structure

Chain sequence(s)	A: DGECGGFWWKCGRGKPPCCKGYACSKTWGWCAVEAP
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                                          (00:00:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:29)

• Minimal score value: -3.2199
• Maximal score value: 2.8267
• Average score: -0.7181
• Total score value: -25.8524

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	D	A	-2.3815
2	G	A	-2.2399
3	E	A	-2.3631
4	C	A	-0.6221
5	G	A	0.2562
6	G	A	1.4538
7	F	A	2.8267
8	W	A	2.4116
9	W	A	1.3093
10	K	A	-1.0117
11	C	A	0.0000
12	G	A	-2.6197
13	R	A	-3.2199
14	G	A	-2.7456
15	K	A	-2.9266
16	P	A	-1.6049
17	P	A	-1.2570
18	C	A	-0.2855
19	C	A	-0.4391
20	K	A	-1.7363
21	G	A	-0.9887
22	Y	A	0.3147
23	A	A	-0.2754
24	C	A	-0.9653
25	S	A	-1.6409
26	K	A	-2.6516
27	T	A	-0.6327
28	W	A	0.1780
29	G	A	-0.7238
30	W	A	-0.1236
31	C	A	0.0000
32	A	A	1.2356
33	V	A	0.4216
34	E	A	-1.4421
35	A	A	-0.7078
36	P	A	-0.6551