Project name: query_structure

Chain sequence(s)	A: GTCRTFGCTCKPLRCKAPRMVRCGETCMG
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                                          (00:00:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:20)

• Minimal score value: -2.6965
• Maximal score value: 1.3495
• Average score: -0.9773
• Total score value: -28.3409

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	-0.5399
2	T	A	-0.3307
3	C	A	0.0000
4	R	A	-1.3415
5	T	A	-0.4576
6	F	A	1.3495
7	G	A	0.0288
8	C	A	-0.8296
9	T	A	-0.9642
10	C	A	-0.8509
11	K	A	-1.4361
12	P	A	-0.5703
13	L	A	0.0129
14	R	A	-2.1727
15	C	A	-2.3073
16	K	A	-2.6965
17	A	A	-1.3504
18	P	A	-1.3804
19	R	A	-1.7804
20	M	A	-0.1417
21	V	A	-0.4653
22	R	A	-2.1495
23	C	A	-1.7244
24	G	A	-2.1592
25	E	A	-2.4592
26	T	A	-1.1117
27	C	A	-0.6727
28	M	A	0.3119
29	G	A	-0.1518