Project name: query_structure

Chain sequence(s)	A: GSIPCAESCVYIPCITGIAGCSCKNKVCYYN
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                                          (00:00:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:19)

• Minimal score value: -2.0901
• Maximal score value: 2.3904
• Average score: 0.5777
• Total score value: 17.9078

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	-0.3749
2	S	A	0.3492
3	I	A	1.8581
4	P	A	0.8448
5	C	A	0.9073
6	A	A	0.3659
7	E	A	0.3158
8	S	A	0.4556
9	C	A	1.0098
10	V	A	1.8525
11	Y	A	2.2146
12	I	A	1.8381
13	P	A	1.1930
14	C	A	1.5801
15	I	A	2.3904
16	T	A	1.7353
17	G	A	1.4424
18	I	A	2.3171
19	A	A	1.2000
20	G	A	0.5141
21	C	A	0.0000
22	S	A	-0.0681
23	C	A	-0.3678
24	K	A	-1.8144
25	N	A	-2.0901
26	K	A	-1.4058
27	V	A	-0.5314
28	C	A	0.0000
29	Y	A	0.2510
30	Y	A	0.7757
31	N	A	-0.8505