Project name: query_structure

Chain sequence(s)	A: TFCGETCRVIPVCTYSAALGCTCDDRSDGLCKRNGDP
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                                          (00:00:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:42)

• Minimal score value: -3.0457
• Maximal score value: 2.2939
• Average score: -0.47
• Total score value: -17.3913

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	T	A	-0.8023
2	F	A	0.1286
3	C	A	-0.4455
4	G	A	-0.2362
5	E	A	-0.2573
6	T	A	-0.2669
7	C	A	0.0000
8	R	A	-1.0200
9	V	A	1.2986
10	I	A	2.2939
11	P	A	0.8168
12	V	A	1.8603
13	C	A	0.0000
14	T	A	1.1114
15	Y	A	1.5640
16	S	A	0.7086
17	A	A	0.8192
18	A	A	0.9851
19	L	A	1.0391
20	G	A	0.0776
21	C	A	0.0000
22	T	A	-0.2747
23	C	A	-0.9752
24	D	A	-1.9581
25	D	A	-2.2124
26	R	A	-3.0457
27	S	A	-1.7131
28	D	A	-2.3097
29	G	A	-1.8031
30	L	A	-0.6488
31	C	A	0.0000
32	K	A	-1.1007
33	R	A	-1.7725
34	N	A	-2.3126
35	G	A	-2.1368
36	D	A	-2.7104
37	P	A	-2.0925