Project name: query_structure

Chain sequence(s)	A: GCALMTPSAVDCKQDSDCLAGCVCLPGMVRCGS
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:23)

• Minimal score value: -3.4569
• Maximal score value: 2.0886
• Average score: -0.0356
• Total score value: -1.1763

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	0.4373
2	C	A	1.7553
3	A	A	1.2784
4	L	A	2.0886
5	M	A	1.8310
6	T	A	0.9771
7	P	A	0.1625
8	S	A	0.0728
9	A	A	0.0103
10	V	A	-0.3052
11	D	A	-2.1370
12	C	A	-2.0928
13	K	A	-3.0401
14	Q	A	-3.4569
15	D	A	-3.2354
16	S	A	-2.1845
17	D	A	-2.3323
18	C	A	-1.2901
19	L	A	0.7743
20	A	A	0.5584
21	G	A	0.2138
22	C	A	0.7352
23	V	A	1.6858
24	C	A	1.6594
25	L	A	1.1210
26	P	A	0.4315
27	G	A	0.4967
28	M	A	1.0439
29	V	A	1.2117
30	R	A	-0.4148
31	C	A	0.0327
32	G	A	0.5492
33	S	A	0.1859