Project name: query_structure

Chain sequence(s)	A: GSIPCGESCVYIPCISAVLGCSCKNKVCYRN
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.                                          (00:00:18)

• Minimal score value: -2.3131
• Maximal score value: 2.8678
• Average score: 0.2971
• Total score value: 9.2097

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	-0.4464
2	S	A	-0.4296
3	I	A	1.0384
4	P	A	0.1390
5	C	A	0.3320
6	G	A	-0.3453
7	E	A	0.1502
8	S	A	0.2968
9	C	A	0.9315
10	V	A	2.0741
11	Y	A	2.3310
12	I	A	1.9862
13	P	A	1.3099
14	C	A	0.0000
15	I	A	2.6572
16	S	A	1.8555
17	A	A	1.7963
18	V	A	2.8678
19	L	A	2.3183
20	G	A	0.4891
21	C	A	0.0000
22	S	A	-0.5650
23	C	A	-0.6815
24	K	A	-2.3131
25	N	A	-2.2258
26	K	A	-1.5191
27	V	A	-0.9821
28	C	A	0.0000
29	Y	A	-0.8974
30	R	A	-1.2727
31	N	A	-1.6856