Project name: query_structure

Chain sequence(s)	A: GSIPACGESCFKGKCYTPGCTCSKYPLCAKN
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                                          (00:00:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:21)

• Minimal score value: -2.1195
• Maximal score value: 1.4612
• Average score: -0.3845
• Total score value: -11.9208

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	-0.4741
2	S	A	0.1259
3	I	A	1.4612
4	P	A	0.2484
5	A	A	-0.2721
6	C	A	-0.3812
7	G	A	-0.4375
8	E	A	-0.3343
9	S	A	0.1283
10	C	A	0.0000
11	F	A	0.8569
12	K	A	-1.3146
13	G	A	-1.2039
14	K	A	-1.5471
15	C	A	-0.4275
16	Y	A	0.7440
17	T	A	-0.1030
18	P	A	-0.3098
19	G	A	-1.0924
20	C	A	-1.2061
21	T	A	-1.0373
22	C	A	-0.4993
23	S	A	-0.5592
24	K	A	-0.9567
25	Y	A	0.9199
26	P	A	0.5100
27	L	A	0.2887
28	C	A	0.0000
29	A	A	-0.8739
30	K	A	-2.0546
31	N	A	-2.1195