Project name: query_structure

Chain sequence(s)	A: CGETCLLGTCYTTGCTCNKYRVCTKDGSVLN
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                                          (00:00:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:17)

• Minimal score value: -2.5782
• Maximal score value: 2.0518
• Average score: -0.3019
• Total score value: -9.3588

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	-0.8006
2	G	A	-0.1314
3	E	A	-0.3398
4	T	A	0.1635
5	C	A	0.0000
6	L	A	1.7534
7	L	A	2.0518
8	G	A	0.7221
9	T	A	0.5661
10	C	A	0.7521
11	Y	A	1.3165
12	T	A	0.2484
13	T	A	-0.1488
14	G	A	-0.9800
15	C	A	-1.1248
16	T	A	-0.9792
17	C	A	-0.6820
18	N	A	-1.2920
19	K	A	-1.7215
20	Y	A	-0.3762
21	R	A	-1.3953
22	V	A	-0.4662
23	C	A	0.0000
24	T	A	-1.3579
25	K	A	-2.4127
26	D	A	-2.5782
27	G	A	-1.4489
28	S	A	-0.2033
29	V	A	1.2308
30	L	A	1.1516
31	N	A	-0.8763