Project name: query_structure

Chain sequence(s)	A: CAVTHEKCSDDYDCCGSLCCVGICAKTIAPCK
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                                          (00:00:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:07)

• Minimal score value: -2.1052
• Maximal score value: 1.6118
• Average score: -0.3404
• Total score value: -10.8933

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	0.8205
2	A	A	0.1855
3	V	A	0.9112
4	T	A	-0.4330
5	H	A	-1.4378
6	E	A	-1.8651
7	K	A	-2.1052
8	C	A	-0.9824
9	S	A	-1.0699
10	D	A	-1.3015
11	D	A	-0.6971
12	Y	A	0.2072
13	D	A	-0.2024
14	C	A	0.0000
15	C	A	0.6418
16	G	A	-0.3583
17	S	A	-0.9701
18	L	A	-0.5045
19	C	A	0.0000
20	C	A	-0.1712
21	V	A	0.9876
22	G	A	-0.1912
23	I	A	-0.6626
24	C	A	0.0000
25	A	A	-0.5178
26	K	A	-1.0790
27	T	A	0.4796
28	I	A	1.6118
29	A	A	0.4848
30	P	A	-0.5426
31	C	A	-0.5717
32	K	A	-1.5599