Project name: query_structure

Chain sequence(s)	A: WLGCARVKEACGPWEWPCCSGLKCDGSECHPQ
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                                          (00:00:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:27)

• Minimal score value: -3.8036
• Maximal score value: 2.0195
• Average score: -1.2732
• Total score value: -40.7437

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	W	A	1.8846
2	L	A	2.0195
3	G	A	0.7068
4	C	A	0.5451
5	A	A	0.0000
6	R	A	-2.9316
7	V	A	-2.6771
8	K	A	-3.3004
9	E	A	-2.8669
10	A	A	-2.0360
11	C	A	-1.5380
12	G	A	-1.0482
13	P	A	-0.2127
14	W	A	0.4688
15	E	A	-0.7762
16	W	A	0.5123
17	P	A	-0.0067
18	C	A	-0.5862
19	C	A	-0.2096
20	S	A	-0.6735
21	G	A	-0.9876
22	L	A	-1.9456
23	K	A	-3.1415
24	C	A	-2.9465
25	D	A	-3.2719
26	G	A	-2.1240
27	S	A	-2.4221
28	E	A	-3.8036
29	C	A	0.0000
30	H	A	-3.0897
31	P	A	-2.1131
32	Q	A	-2.1721