Project name: query_structure

Chain sequence(s)	A: SWPVCTRNGLPVCGETCVGGTCNTPGCTC
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                                          (00:00:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:06)

• Minimal score value: -1.8535
• Maximal score value: 1.757
• Average score: -0.0903
• Total score value: -2.6178

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	S	A	0.6007
2	W	A	1.6313
3	P	A	1.2572
4	V	A	1.0453
5	C	A	0.0000
6	T	A	0.0000
7	R	A	-1.7526
8	N	A	-1.8535
9	G	A	-0.7351
10	L	A	0.6611
11	P	A	0.2936
12	V	A	0.8518
13	C	A	-0.0185
14	G	A	-0.4357
15	E	A	-0.8821
16	T	A	-0.0480
17	C	A	0.0000
18	V	A	1.7570
19	G	A	0.4635
20	G	A	0.5067
21	T	A	0.0658
22	C	A	-0.4509
23	N	A	-1.4805
24	T	A	-1.0067
25	P	A	-0.7451
26	G	A	-1.1649
27	C	A	-0.9278
28	T	A	-0.4905
29	C	A	0.2401