Project name: query_structure

Chain sequence(s)	A: GIPCGESCVWIPCLTSAIGCSCKSKVCYRN
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                                          (00:00:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:28)

• Minimal score value: -1.8385
• Maximal score value: 2.007
• Average score: 0.1532
• Total score value: 4.5952

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	-0.5289
2	I	A	1.0524
3	P	A	0.1425
4	C	A	0.2808
5	G	A	-0.3306
6	E	A	-0.0310
7	S	A	0.2912
8	C	A	0.8757
9	V	A	1.8376
10	W	A	2.0070
11	I	A	1.4730
12	P	A	0.8830
13	C	A	0.0000
14	L	A	1.6625
15	T	A	0.9952
16	S	A	0.6459
17	A	A	1.0479
18	I	A	1.6287
19	G	A	0.1151
20	C	A	0.0000
21	S	A	-0.7235
22	C	A	-0.5464
23	K	A	-1.8385
24	S	A	-1.2672
25	K	A	-1.1437
26	V	A	-0.4953
27	C	A	0.0000
28	Y	A	-0.6696
29	R	A	-1.1869
30	N	A	-1.5817