Project name: query_structure

Chain sequence(s)	A: GCIAKNKECAWFSGEWCCGALSCKYSIKRNLKICV
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:01)

• Minimal score value: -3.1393
• Maximal score value: 2.1062
• Average score: -0.3463
• Total score value: -12.1214

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	-0.2311
2	C	A	-0.0017
3	I	A	0.0000
4	A	A	-1.3044
5	K	A	-2.3098
6	N	A	-3.0688
7	K	A	-3.1393
8	E	A	-2.8168
9	C	A	0.0000
10	A	A	0.4476
11	W	A	1.7103
12	F	A	2.1062
13	S	A	0.3801
14	G	A	-0.2951
15	E	A	-0.9358
16	W	A	0.6877
17	C	A	0.0000
18	C	A	0.1394
19	G	A	-0.0907
20	A	A	0.3405
21	L	A	0.3430
22	S	A	0.2264
23	C	A	-0.3859
24	K	A	-0.3291
25	Y	A	0.6027
26	S	A	0.0000
27	I	A	0.7023
28	K	A	-1.2714
29	R	A	-1.5265
30	N	A	-0.8844
31	L	A	-0.4164
32	K	A	-0.8516
33	I	A	0.0000
34	C	A	0.0000
35	V	A	0.0512